  
data_compound2 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C34 H30 Cl N4 O2 Y' 
_chemical_formula_sum 
 'C34 H30 Cl N4 O2 Y' 
_chemical_formula_weight          650.98 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Cl'  'Cl'   0.1484   0.1585 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Y'  'Y'  -2.7962   3.5667 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'P 1 21 1' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y+1/2, -z' 
  
_cell_length_a                    14.6880(11) 
_cell_length_b                    23.835(2) 
_cell_length_c                    21.211(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  102.572(5) 
_cell_angle_gamma                 90.00 
_cell_volume                      7247.8(11) 
_cell_formula_units_Z             8 
_cell_measurement_temperature     113(2) 
_cell_measurement_reflns_used     12879 
_cell_measurement_theta_min       2.6 
_cell_measurement_theta_max       25.0 
  
_exptl_crystal_description        prism 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.30 
_exptl_crystal_size_mid           0.28 
_exptl_crystal_size_min           0.22 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.193 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              2672 
_exptl_absorpt_coefficient_mu     1.714 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.6273 
_exptl_absorpt_correction_T_max   0.7042 
_exptl_absorpt_process_details    crystalclear 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       113(2) 
_diffrn_radiation_wavelength      0.71070 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'rotating anode' 
_diffrn_radiation_monochromator   confocal
_diffrn_measurement_device_type   'Rigaku Saturn' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  7.31 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             54829 
_diffrn_reflns_av_R_equivalents   0.1026 
_diffrn_reflns_av_sigmaI/netI     0.1797 
_diffrn_reflns_limit_h_min        -16 
_diffrn_reflns_limit_h_max        17 
_diffrn_reflns_limit_k_min        -28 
_diffrn_reflns_limit_k_max        28 
_diffrn_reflns_limit_l_min        -25 
_diffrn_reflns_limit_l_max        25 
_diffrn_reflns_theta_min          1.66 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              24906 
_reflns_number_gt                 16498 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        CrystalClear 
_computing_cell_refinement        CrystalClear 
_computing_data_reduction         CrystalClear 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   'CrystalStructure 3.7.0' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0693P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.035(6) 
_refine_ls_number_reflns          24906 
_refine_ls_number_parameters      1560 
_refine_ls_number_restraints      269 
_refine_ls_R_factor_all           0.1112 
_refine_ls_R_factor_gt            0.0768 
_refine_ls_wR_factor_ref          0.2024 
_refine_ls_wR_factor_gt           0.1780 
_refine_ls_goodness_of_fit_ref    0.980 
_refine_ls_restrained_S_all       0.980 
_refine_ls_shift/su_max           0.001 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Y1 Y 0.45152(6) 0.37689(4) 0.52617(4) 0.0232(2) Uani 1 1 d . . . 
Y2 Y 0.45488(6) 0.44469(4) -0.01370(4) 0.0278(2) Uani 1 1 d . . . 
Y3 Y 0.04576(6) -0.00974(4) 0.48034(4) 0.0248(2) Uani 1 1 d . . . 
Y4 Y 0.95339(6) 0.31307(4) 0.99029(4) 0.0238(2) Uani 1 1 d . . . 
Cl1 Cl 0.37052(17) 0.36574(11) 0.62180(11) 0.0359(6) Uani 1 1 d . . . 
Cl2 Cl 0.31294(17) 0.46315(12) -0.10602(12) 0.0418(7) Uani 1 1 d . A . 
Cl3 Cl 0.17844(18) 0.00677(11) 0.58083(13) 0.0414(7) Uani 1 1 d . . . 
Cl4 Cl 0.88103(16) 0.30432(12) 1.09116(11) 0.0355(6) Uani 1 1 d . . . 
N1 N 0.3698(6) 0.3985(4) 0.4144(3) 0.034(2) Uani 1 1 d . . . 
N2 N 0.3717(5) 0.2902(3) 0.4844(4) 0.0237(17) Uani 1 1 d . . . 
N3 N 0.3957(6) 0.4732(3) 0.5167(4) 0.032(2) Uani 1 1 d . . . 
N4 N 0.5506(5) 0.2969(3) 0.5529(4) 0.0279(19) Uani 1 1 d . . . 
N5 N 0.4478(5) 0.4132(3) 0.0971(4) 0.0265(18) Uani 1 1 d . A . 
N6 N 0.3957(6) 0.5241(3) 0.0374(4) 0.0308(19) Uani 1 1 d D A . 
N7 N 0.4019(5) 0.3512(4) -0.0127(4) 0.031(2) Uani 1 1 d U A . 
N9 N 0.0764(5) -0.0411(3) 0.3746(3) 0.0239(17) Uani 1 1 d . . . 
N10 N 0.1002(5) 0.0741(3) 0.4353(4) 0.0261(18) Uani 1 1 d . . . 
N11 N 0.1063(5) -0.1042(3) 0.4856(3) 0.0259(18) Uani 1 1 d . . . 
N12 N -0.0505(6) 0.0682(3) 0.4905(4) 0.033(2) Uani 1 1 d . . . 
N13 N 0.8667(5) 0.3400(3) 0.8815(4) 0.0265(18) Uani 1 1 d . . . 
N14 N 0.8646(5) 0.2297(3) 0.9538(4) 0.0271(18) Uani 1 1 d . . . 
N15 N 0.9002(6) 0.4075(3) 0.9866(4) 0.0291(19) Uani 1 1 d . . . 
N16 N 1.0508(5) 0.2321(3) 1.0176(4) 0.033(2) Uani 1 1 d . . . 
O1 O 0.5727(4) 0.4133(3) 0.4761(3) 0.0351(17) Uani 1 1 d . . . 
O2 O 0.5804(4) 0.4201(3) 0.6037(3) 0.0342(17) Uani 1 1 d . . . 
O3 O 0.6066(5) 0.4026(3) 0.0301(4) 0.0434(19) Uani 1 1 d . A . 
O4 O 0.5317(5) 0.4075(3) -0.0985(3) 0.0420(19) Uani 1 1 d . A . 
O5 O -0.1003(4) -0.0502(3) 0.4259(3) 0.0329(16) Uani 1 1 d . . . 
O6 O -0.0455(4) -0.0471(3) 0.5541(3) 0.0370(17) Uani 1 1 d . . . 
O7 O 1.0654(4) 0.3439(3) 0.9308(3) 0.0374(17) Uani 1 1 d . . . 
O8 O 1.0949(4) 0.3514(3) 1.0589(3) 0.0303(16) Uani 1 1 d . . . 
C1 C 0.3192(6) 0.3138(5) 0.3499(4) 0.030(2) Uani 1 1 d . . . 
C2 C 0.3773(6) 0.3620(4) 0.3623(4) 0.023(2) Uani 1 1 d . . . 
C3 C 0.4429(6) 0.3728(4) 0.3255(4) 0.027(2) Uani 1 1 d . . . 
H3 H 0.4773 0.4068 0.3316 0.032 Uiso 1 1 calc R . . 
C4 C 0.4588(6) 0.3341(4) 0.2793(5) 0.028(2) Uani 1 1 d . . . 
H4 H 0.5080 0.3398 0.2574 0.034 Uiso 1 1 calc R . . 
C5 C 0.4009(7) 0.2868(4) 0.2660(4) 0.026(2) Uani 1 1 d . . . 
C6 C 0.3329(6) 0.2780(4) 0.3019(4) 0.0216(19) Uani 1 1 d . . . 
C7 C 0.2751(6) 0.2270(4) 0.2847(4) 0.025(2) Uani 1 1 d . . . 
H7 H 0.2273 0.2195 0.3073 0.030 Uiso 1 1 calc R . . 
C8 C 0.2873(7) 0.1900(4) 0.2375(5) 0.035(2) Uani 1 1 d . . . 
H8 H 0.2472 0.1585 0.2270 0.042 Uiso 1 1 calc R . . 
C9 C 0.3605(7) 0.1991(5) 0.2044(4) 0.037(3) Uani 1 1 d . . . 
H9 H 0.3711 0.1731 0.1728 0.045 Uiso 1 1 calc R . . 
C10 C 0.4165(7) 0.2465(4) 0.2187(4) 0.031(2) Uani 1 1 d . . . 
H10 H 0.4657 0.2525 0.1969 0.037 Uiso 1 1 calc R . . 
C11 C 0.2468(6) 0.3024(4) 0.3893(4) 0.029(2) Uani 1 1 d . . . 
C12 C 0.2731(6) 0.2889(4) 0.4542(4) 0.0209(19) Uani 1 1 d . . . 
C13 C 0.2072(7) 0.2716(4) 0.4893(5) 0.033(2) Uani 1 1 d . . . 
H13 H 0.2270 0.2620 0.5336 0.039 Uiso 1 1 calc R . . 
C14 C 0.1176(7) 0.2688(4) 0.4609(5) 0.032(2) Uani 1 1 d . . . 
H14 H 0.0749 0.2554 0.4853 0.039 Uiso 1 1 calc R . . 
C15 C 0.0818(6) 0.2853(4) 0.3944(5) 0.029(2) Uani 1 1 d . . . 
C16 C 0.1474(6) 0.3045(4) 0.3582(4) 0.025(2) Uani 1 1 d . . . 
C17 C 0.1160(6) 0.3210(4) 0.2926(4) 0.026(2) Uani 1 1 d . . . 
H17 H 0.1591 0.3336 0.2681 0.031 Uiso 1 1 calc R . . 
C18 C 0.0222(8) 0.3183(7) 0.2651(5) 0.066(4) Uani 1 1 d . . . 
H18 H 0.0004 0.3298 0.2216 0.079 Uiso 1 1 calc R . . 
C19 C -0.0405(8) 0.2993(6) 0.2997(5) 0.051(3) Uani 1 1 d . . . 
H19 H -0.1046 0.2964 0.2792 0.061 Uiso 1 1 calc R . . 
C20 C -0.0124(6) 0.2846(4) 0.3627(5) 0.036(3) Uani 1 1 d . . . 
H20 H -0.0578 0.2735 0.3860 0.043 Uiso 1 1 calc R . . 
C21 C 0.3638(6) 0.4517(4) 0.4022(4) 0.028(2) Uani 1 1 d . . . 
H21 H 0.3508 0.4644 0.3587 0.034 Uiso 1 1 calc R . . 
C22 C 0.3765(6) 0.4914(4) 0.4532(4) 0.023(2) Uani 1 1 d U . . 
C23 C 0.3656(7) 0.5511(5) 0.4521(5) 0.042(3) Uani 1 1 d . . . 
H23 H 0.3500 0.5743 0.4149 0.051 Uiso 1 1 calc R . . 
C24 C 0.3829(7) 0.5686(4) 0.5174(5) 0.040(3) Uani 1 1 d . . . 
H24 H 0.3829 0.6059 0.5332 0.049 Uiso 1 1 calc R . . 
C25 C 0.4005(6) 0.5180(4) 0.5543(4) 0.027(2) Uani 1 1 d . . . 
H25 H 0.4139 0.5166 0.6001 0.032 Uiso 1 1 calc R . . 
C26 C 0.4095(7) 0.2444(4) 0.5080(5) 0.038(3) Uani 1 1 d . . . 
H26 H 0.3754 0.2102 0.5022 0.045 Uiso 1 1 calc R . . 
C27 C 0.5086(7) 0.2454(4) 0.5450(5) 0.033(2) Uani 1 1 d . . . 
C28 C 0.5675(7) 0.1998(4) 0.5673(4) 0.031(2) Uani 1 1 d . . . 
H28 H 0.5531 0.1609 0.5639 0.038 Uiso 1 1 calc R . . 
C29 C 0.6501(7) 0.2247(5) 0.5951(5) 0.041(3) Uani 1 1 d . . . 
H29 H 0.7047 0.2054 0.6164 0.049 Uiso 1 1 calc R . . 
C30 C 0.6424(7) 0.2834(4) 0.5875(4) 0.030(2) Uani 1 1 d . . . 
H30 H 0.6907 0.3097 0.6029 0.036 Uiso 1 1 calc R . . 
C31 C 0.6335(6) 0.3758(4) 0.4516(5) 0.029(2) Uani 1 1 d . . . 
H31A H 0.6589 0.3949 0.4183 0.044 Uiso 1 1 calc R . . 
H31B H 0.5982 0.3426 0.4328 0.044 Uiso 1 1 calc R . . 
H31C H 0.6848 0.3641 0.4869 0.044 Uiso 1 1 calc R . . 
C32 C 0.6211(7) 0.4601(4) 0.5103(5) 0.034(2) Uani 1 1 d . . . 
H32A H 0.5779 0.4923 0.5081 0.041 Uiso 1 1 calc R . . 
H32B H 0.6729 0.4715 0.4900 0.041 Uiso 1 1 calc R . . 
C33 C 0.6582(7) 0.4450(4) 0.5781(5) 0.037(3) Uani 1 1 d . . . 
H33A H 0.6829 0.4787 0.6033 0.045 Uiso 1 1 calc R . . 
H33B H 0.7096 0.4175 0.5812 0.045 Uiso 1 1 calc R . . 
C34 C 0.6077(7) 0.4073(5) 0.6730(4) 0.046(3) Uani 1 1 d . . . 
H34A H 0.6704 0.3910 0.6828 0.068 Uiso 1 1 calc R . . 
H34B H 0.5634 0.3805 0.6846 0.068 Uiso 1 1 calc R . . 
H34C H 0.6074 0.4419 0.6979 0.068 Uiso 1 1 calc R . . 
C35 C 0.4286(7) 0.4912(5) 0.1729(4) 0.038(3) Uani 1 1 d . A . 
C36 C 0.4743(6) 0.4457(4) 0.1555(4) 0.028(2) Uani 1 1 d . . . 
C37 C 0.5686(6) 0.4320(4) 0.1965(4) 0.024(2) Uani 1 1 d . A . 
H37 H 0.6041 0.4019 0.1848 0.028 Uiso 1 1 calc R . . 
C38 C 0.6030(8) 0.4627(4) 0.2504(5) 0.038(3) Uani 1 1 d . . . 
H38 H 0.6607 0.4527 0.2780 0.046 Uiso 1 1 calc R A . 
C39 C 0.5515(7) 0.5104(4) 0.2655(4) 0.031(2) Uani 1 1 d . A . 
C40 C 0.4654(6) 0.5241(4) 0.2246(4) 0.029(2) Uani 1 1 d . . . 
C41 C 0.4182(7) 0.5707(4) 0.2416(5) 0.035(2) Uani 1 1 d . A . 
H41 H 0.3574 0.5788 0.2171 0.042 Uiso 1 1 calc R . . 
C42 C 0.4568(6) 0.6059(4) 0.2932(5) 0.037(3) Uani 1 1 d . . . 
H42 H 0.4256 0.6394 0.3002 0.044 Uiso 1 1 calc R A . 
C43 C 0.5428(9) 0.5913(5) 0.3350(6) 0.056(4) Uani 1 1 d . A . 
H43 H 0.5674 0.6132 0.3723 0.067 Uiso 1 1 calc R . . 
C44 C 0.5882(7) 0.5462(5) 0.3210(5) 0.042(3) Uani 1 1 d . . . 
H44 H 0.6468 0.5371 0.3481 0.050 Uiso 1 1 calc R A . 
C45 C 0.3294(6) 0.5009(4) 0.1311(4) 0.024(2) Uani 1 1 d . . . 
C46 C 0.3175(6) 0.5203(4) 0.0683(4) 0.0215(19) Uani 1 1 d . A . 
C47 C 0.2272(6) 0.5340(4) 0.0317(5) 0.032(2) Uani 1 1 d . . . 
H47 H 0.2185 0.5443 -0.0125 0.039 Uiso 1 1 calc R A . 
C48 C 0.1537(6) 0.5322(4) 0.0610(4) 0.022(2) Uani 1 1 d U A . 
H48 H 0.0945 0.5445 0.0374 0.027 Uiso 1 1 calc R . . 
C49 C 0.1611(6) 0.5130(4) 0.1244(4) 0.0202(19) Uani 1 1 d U . . 
C50 C 0.2524(5) 0.4941(3) 0.1601(4) 0.0181(18) Uani 1 1 d . A . 
C51 C 0.2593(6) 0.4714(4) 0.2221(4) 0.024(2) Uani 1 1 d . . . 
H51 H 0.3184 0.4599 0.2465 0.028 Uiso 1 1 calc R A . 
C52 C 0.1828(6) 0.4658(4) 0.2476(4) 0.028(2) Uani 1 1 d . A . 
H52 H 0.1894 0.4489 0.2889 0.034 Uiso 1 1 calc R . . 
C53 C 0.0939(6) 0.4842(5) 0.2150(4) 0.035(2) Uani 1 1 d . . . 
H53 H 0.0412 0.4794 0.2336 0.042 Uiso 1 1 calc R A . 
C54 C 0.0848(6) 0.5095(4) 0.1549(5) 0.028(2) Uani 1 1 d . A . 
H54 H 0.0263 0.5248 0.1341 0.033 Uiso 1 1 calc R . . 
C55 C 0.4280(6) 0.3607(4) 0.1030(5) 0.027(2) Uani 1 1 d . . . 
H55 H 0.4268 0.3453 0.1441 0.032 Uiso 1 1 calc R A . 
C56 C 0.4077(7) 0.3260(4) 0.0451(5) 0.031(2) Uani 1 1 d . A . 
C57 C 0.3790(8) 0.2694(4) 0.0378(5) 0.038(3) Uani 1 1 d . . . 
H57 H 0.3730 0.2445 0.0717 0.045 Uiso 1 1 calc R A . 
C58 C 0.3612(7) 0.2568(5) -0.0268(5) 0.039(3) Uani 1 1 d . A . 
H58 H 0.3423 0.2218 -0.0467 0.046 Uiso 1 1 calc R . . 
C59 C 0.3779(8) 0.3102(4) -0.0587(5) 0.039(3) Uani 1 1 d . . . 
H59 H 0.3727 0.3151 -0.1038 0.047 Uiso 1 1 calc R A . 
C60 C 0.4194(15) 0.5756(5) 0.0234(11) 0.040(4) Uani 0.322(9) 1 d PDU A 1 
H60A H 0.3902 0.6091 0.0330 0.048 Uiso 0.322(9) 1 calc PR A 1 
C61 C 0.4997(12) 0.5726(6) -0.0100(8) 0.038(3) Uani 0.322(9) 1 d PGDU A 1 
C62 C 0.5488(14) 0.6179(9) -0.0310(12) 0.048(3) Uani 0.322(9) 1 d PGDU A 1 
H62A H 0.5367 0.6567 -0.0265 0.057 Uiso 0.322(9) 1 calc PR A 1 
C63 C 0.6193(16) 0.5950(10) -0.0600(11) 0.049(4) Uani 0.322(9) 1 d PGDU A 1 
H63A H 0.6625 0.6157 -0.0783 0.059 Uiso 0.322(9) 1 calc PR A 1 
C64 C 0.6138(16) 0.5354(11) -0.0569(12) 0.040(3) Uani 0.322(9) 1 d PGDU A 1 
H64A H 0.6526 0.5095 -0.0727 0.048 Uiso 0.322(9) 1 calc PR A 1 
N8 N 0.5398(14) 0.5216(9) -0.0260(12) 0.032(3) Uani 0.322(9) 1 d PGDU A 1 
C60' C 0.4543(7) 0.5638(5) 0.0581(6) 0.038(3) Uani 0.678(9) 1 d PDU A 2 
H60B H 0.4469 0.5896 0.0907 0.045 Uiso 0.678(9) 1 calc PR A 2 
C61' C 0.5335(6) 0.5653(4) 0.0262(4) 0.034(2) Uani 0.678(9) 1 d PGDU A 2 
C62' C 0.6007(7) 0.6050(5) 0.0361(6) 0.051(3) Uani 0.678(9) 1 d PGDU A 2 
H62B H 0.6046 0.6362 0.0645 0.061 Uiso 0.678(9) 1 calc PR A 2 
C63' C 0.6614(7) 0.5927(5) -0.0014(6) 0.050(3) Uani 0.678(9) 1 d PGDU A 2 
H63B H 0.7155 0.6136 -0.0041 0.060 Uiso 0.678(9) 1 calc PR A 2 
C64' C 0.6317(7) 0.5453(5) -0.0345(6) 0.041(3) Uani 0.678(9) 1 d PGDU A 2 
H64B H 0.6612 0.5271 -0.0645 0.050 Uiso 0.678(9) 1 calc PR A 2 
N8' N 0.5526(7) 0.5284(4) -0.0175(6) 0.032(2) Uani 0.678(9) 1 d PGDU A 2 
C65 C 0.6834(7) 0.4323(4) 0.0653(5) 0.037(3) Uani 1 1 d . . . 
H65A H 0.7113 0.4114 0.1045 0.056 Uiso 1 1 calc R A . 
H65B H 0.6628 0.4692 0.0772 0.056 Uiso 1 1 calc R . . 
H65C H 0.7298 0.4372 0.0388 0.056 Uiso 1 1 calc R . . 
C66 C 0.6314(7) 0.3573(5) -0.0118(6) 0.048(3) Uani 1 1 d . . . 
H66A H 0.5894 0.3247 -0.0125 0.058 Uiso 1 1 calc R A . 
H66B H 0.6964 0.3448 0.0050 0.058 Uiso 1 1 calc R . . 
C67 C 0.6210(7) 0.3811(6) -0.0792(6) 0.052(3) Uani 1 1 d . A . 
H67A H 0.6710 0.4088 -0.0798 0.062 Uiso 1 1 calc R . . 
H67B H 0.6266 0.3506 -0.1098 0.062 Uiso 1 1 calc R . . 
C68 C 0.5114(9) 0.4168(6) -0.1662(6) 0.060(4) Uani 1 1 d . . . 
H68A H 0.5658 0.4336 -0.1787 0.090 Uiso 1 1 calc R A . 
H68B H 0.4580 0.4422 -0.1779 0.090 Uiso 1 1 calc R . . 
H68C H 0.4965 0.3809 -0.1887 0.090 Uiso 1 1 calc R . . 
C69 C 0.0718(6) 0.0401(4) 0.3035(4) 0.022(2) Uani 1 1 d . . . 
C70 C 0.0371(6) -0.0123(4) 0.3173(4) 0.029(2) Uani 1 1 d . . . 
C71 C -0.0453(6) -0.0314(4) 0.2742(4) 0.030(2) Uani 1 1 d . . . 
H71 H -0.0690 -0.0675 0.2811 0.036 Uiso 1 1 calc R . . 
C72 C -0.0915(7) -0.0004(6) 0.2235(5) 0.052(4) Uani 1 1 d . . . 
H72 H -0.1448 -0.0157 0.1951 0.063 Uiso 1 1 calc R . . 
C73 C -0.0620(7) 0.0531(5) 0.2129(5) 0.035(3) Uani 1 1 d . . . 
C74 C 0.0207(6) 0.0756(4) 0.2529(4) 0.028(2) Uani 1 1 d . . . 
C75 C 0.0466(8) 0.1311(5) 0.2437(5) 0.041(3) Uani 1 1 d . . . 
H75 H 0.1016 0.1465 0.2699 0.050 Uiso 1 1 calc R . . 
C76 C -0.0075(8) 0.1627(5) 0.1970(6) 0.048(3) Uani 1 1 d . . . 
H76 H 0.0143 0.1993 0.1904 0.057 Uiso 1 1 calc R . . 
C77 C -0.0913(8) 0.1465(5) 0.1581(6) 0.053(3) Uani 1 1 d . . . 
H77 H -0.1288 0.1712 0.1281 0.064 Uiso 1 1 calc R . . 
C78 C -0.1174(9) 0.0894(6) 0.1663(5) 0.060(4) Uani 1 1 d . . . 
H78 H -0.1734 0.0753 0.1398 0.072 Uiso 1 1 calc R . . 
C79 C 0.1676(7) 0.0600(4) 0.3416(4) 0.028(2) Uani 1 1 d . . . 
C80 C 0.1810(7) 0.0784(5) 0.4055(4) 0.034(2) Uani 1 1 d . . . 
C81 C 0.2658(6) 0.0965(4) 0.4407(5) 0.031(2) Uani 1 1 d . . . 
H81 H 0.2721 0.1083 0.4842 0.037 Uiso 1 1 calc R . . 
C82 C 0.3437(7) 0.0971(4) 0.4113(5) 0.033(2) Uani 1 1 d . . . 
H82 H 0.4024 0.1099 0.4350 0.040 Uiso 1 1 calc R . . 
C83 C 0.3346(6) 0.0786(4) 0.3464(4) 0.028(2) Uani 1 1 d . . . 
C84 C 0.2460(6) 0.0601(4) 0.3117(4) 0.024(2) Uani 1 1 d . . . 
C85 C 0.2399(7) 0.0399(4) 0.2482(4) 0.031(2) Uani 1 1 d . . . 
H85 H 0.1822 0.0256 0.2245 0.037 Uiso 1 1 calc R . . 
C86 C 0.3151(7) 0.0405(5) 0.2207(5) 0.043(3) Uani 1 1 d . . . 
H86 H 0.3094 0.0267 0.1780 0.052 Uiso 1 1 calc R . . 
C87 C 0.4024(6) 0.0615(4) 0.2553(5) 0.031(2) Uani 1 1 d . . . 
H87 H 0.4544 0.0633 0.2355 0.038 Uiso 1 1 calc R . . 
C88 C 0.4098(7) 0.0785(4) 0.3159(5) 0.035(2) Uani 1 1 d . . . 
H88 H 0.4688 0.0911 0.3394 0.042 Uiso 1 1 calc R . . 
C89 C 0.0890(6) -0.0962(4) 0.3708(5) 0.029(2) Uani 1 1 d . . . 
H89 H 0.0844 -0.1140 0.3301 0.035 Uiso 1 1 calc R . . 
C90 C 0.1092(6) -0.1275(4) 0.4281(4) 0.0210(19) Uani 1 1 d . . . 
C91 C 0.1356(7) -0.1861(5) 0.4378(6) 0.042(3) Uani 1 1 d . . . 
H91 H 0.1427 -0.2131 0.4062 0.050 Uiso 1 1 calc R . . 
C92 C 0.1485(7) -0.1938(5) 0.5058(5) 0.043(3) Uani 1 1 d . . . 
H92 H 0.1689 -0.2273 0.5289 0.051 Uiso 1 1 calc R . . 
C93 C 0.1262(6) -0.1442(4) 0.5323(5) 0.029(2) Uani 1 1 d . . . 
H93 H 0.1251 -0.1387 0.5765 0.035 Uiso 1 1 calc R . . 
C94 C 0.0647(9) 0.1183(6) 0.4476(6) 0.058(4) Uani 1 1 d . . . 
H94 H 0.0930 0.1528 0.4402 0.069 Uiso 1 1 calc R . . 
C95 C -0.0209(8) 0.1193(5) 0.4737(7) 0.056(4) Uani 1 1 d . . . 
C96 C -0.0682(11) 0.1637(6) 0.4955(9) 0.092(6) Uani 1 1 d . . . 
H96 H -0.0523 0.2024 0.4971 0.110 Uiso 1 1 calc R . . 
C97 C -0.1440(8) 0.1385(5) 0.5143(6) 0.054(3) Uani 1 1 d . . . 
H97 H -0.1957 0.1569 0.5255 0.065 Uiso 1 1 calc R . . 
C98 C -0.1283(7) 0.0801(5) 0.5134(5) 0.043(3) Uani 1 1 d . . . 
H98 H -0.1669 0.0527 0.5269 0.051 Uiso 1 1 calc R . . 
C99 C -0.1789(7) -0.0214(6) 0.3879(5) 0.053(4) Uani 1 1 d . . . 
H99A H -0.2232 -0.0489 0.3642 0.079 Uiso 1 1 calc R . . 
H99B H -0.1579 0.0035 0.3571 0.079 Uiso 1 1 calc R . . 
H99C H -0.2094 0.0008 0.4162 0.079 Uiso 1 1 calc R . . 
C100 C -0.1220(9) -0.1003(6) 0.4627(5) 0.062(4) Uani 1 1 d U . . 
H10A H -0.0710 -0.1282 0.4686 0.074 Uiso 1 1 calc R . . 
H10B H -0.1810 -0.1183 0.4404 0.074 Uiso 1 1 calc R . . 
C101 C -0.1315(7) -0.0735(5) 0.5308(5) 0.039(3) Uani 1 1 d . . . 
H10C H -0.1833 -0.0461 0.5247 0.047 Uiso 1 1 calc R . . 
H10D H -0.1427 -0.1031 0.5610 0.047 Uiso 1 1 calc R . . 
C102 C -0.0327(9) -0.0323(5) 0.6229(5) 0.051(3) Uani 1 1 d . . . 
H10E H -0.0789 -0.0040 0.6281 0.076 Uiso 1 1 calc R . . 
H10F H 0.0302 -0.0172 0.6386 0.076 Uiso 1 1 calc R . . 
H10G H -0.0408 -0.0659 0.6477 0.076 Uiso 1 1 calc R . . 
C103 C 0.8187(7) 0.2565(4) 0.8175(4) 0.029(2) Uani 1 1 d . . . 
C104 C 0.8677(7) 0.3029(4) 0.8261(4) 0.028(2) Uani 1 1 d . . . 
C105 C 0.9290(6) 0.3188(5) 0.7847(5) 0.035(2) Uani 1 1 d . . . 
H105 H 0.9610 0.3537 0.7902 0.042 Uiso 1 1 calc R . . 
C106 C 0.9399(7) 0.2824(5) 0.7375(4) 0.034(2) Uani 1 1 d . . . 
H106 H 0.9769 0.2931 0.7079 0.041 Uiso 1 1 calc R . . 
C107 C 0.8971(6) 0.2293(4) 0.7319(4) 0.030(2) Uani 1 1 d . . . 
C108 C 0.8308(6) 0.2159(4) 0.7722(4) 0.024(2) Uani 1 1 d . . . 
C109 C 0.7902(7) 0.1608(4) 0.7678(5) 0.034(2) Uani 1 1 d . . . 
H109 H 0.7506 0.1504 0.7957 0.041 Uiso 1 1 calc R . . 
C110 C 0.8090(7) 0.1228(5) 0.7224(5) 0.042(3) Uani 1 1 d . . . 
H110 H 0.7801 0.0870 0.7191 0.051 Uiso 1 1 calc R . . 
C111 C 0.8684(8) 0.1356(5) 0.6821(5) 0.043(3) Uani 1 1 d . . . 
H111 H 0.8785 0.1089 0.6511 0.051 Uiso 1 1 calc R . . 
C112 C 0.9130(8) 0.1867(5) 0.6865(5) 0.042(3) Uani 1 1 d . . . 
H112 H 0.9550 0.1943 0.6592 0.050 Uiso 1 1 calc R . . 
C113 C 0.7427(6) 0.2441(4) 0.8549(5) 0.023(2) Uani 1 1 d . . . 
C114 C 0.7683(6) 0.2297(4) 0.9200(5) 0.030(2) Uani 1 1 d . . . 
C115 C 0.6959(7) 0.2153(4) 0.9535(4) 0.030(2) Uani 1 1 d . . . 
H115 H 0.7126 0.2055 0.9979 0.036 Uiso 1 1 calc R . . 
C116 C 0.6073(8) 0.2155(5) 0.9241(5) 0.041(3) Uani 1 1 d . . . 
H116 H 0.5619 0.2034 0.9469 0.049 Uiso 1 1 calc R . . 
C117 C 0.5778(7) 0.2332(4) 0.8592(5) 0.032(2) Uani 1 1 d . . . 
C118 C 0.6476(7) 0.2456(4) 0.8248(4) 0.028(2) Uani 1 1 d . . . 
C119 C 0.6172(7) 0.2623(4) 0.7569(5) 0.031(2) Uani 1 1 d . . . 
H119 H 0.6626 0.2729 0.7333 0.038 Uiso 1 1 calc R . . 
C120 C 0.5265(7) 0.2629(6) 0.7275(5) 0.051(3) Uani 1 1 d . . . 
H120 H 0.5087 0.2733 0.6833 0.061 Uiso 1 1 calc R . . 
C121 C 0.4573(7) 0.2482(5) 0.7616(5) 0.044(3) Uani 1 1 d . . . 
H121 H 0.3937 0.2471 0.7394 0.052 Uiso 1 1 calc R . . 
C122 C 0.4799(8) 0.2361(5) 0.8240(5) 0.045(3) Uani 1 1 d . . . 
H122 H 0.4317 0.2292 0.8465 0.054 Uiso 1 1 calc R . . 
C123 C 0.8557(6) 0.3961(4) 0.8711(5) 0.030(2) Uani 1 1 d . . . 
H123 H 0.8393 0.4115 0.8288 0.036 Uiso 1 1 calc R . . 
C124 C 0.8702(7) 0.4305(4) 0.9276(4) 0.025(2) Uani 1 1 d . . . 
C125 C 0.8655(7) 0.4884(4) 0.9321(5) 0.034(2) Uani 1 1 d . . . 
H125 H 0.8516 0.5143 0.8973 0.040 Uiso 1 1 calc R . . 
C126 C 0.8854(7) 0.5011(4) 0.9987(5) 0.037(3) Uani 1 1 d . . . 
H126 H 0.8842 0.5372 1.0175 0.044 Uiso 1 1 calc R . . 
C127 C 0.9069(6) 0.4516(5) 1.0310(5) 0.034(2) Uani 1 1 d U . . 
H127 H 0.9239 0.4477 1.0766 0.040 Uiso 1 1 calc R . . 
C128 C 0.9018(7) 0.1840(5) 0.9818(4) 0.031(2) Uani 1 1 d . . . 
H128 H 0.8647 0.1512 0.9809 0.037 Uiso 1 1 calc R . . 
C129 C 0.9933(6) 0.1828(4) 1.0124(5) 0.028(2) Uani 1 1 d . . . 
C130 C 1.0473(8) 0.1383(4) 1.0473(5) 0.038(3) Uani 1 1 d . . . 
H130 H 1.0256 0.1016 1.0535 0.045 Uiso 1 1 calc R . . 
C131 C 1.1387(7) 0.1587(4) 1.0708(5) 0.035(2) Uani 1 1 d . . . 
H131 H 1.1907 0.1386 1.0948 0.043 Uiso 1 1 calc R . . 
C132 C 1.1360(7) 0.2170(4) 1.0504(5) 0.036(3) Uani 1 1 d . . . 
H132 H 1.1883 0.2415 1.0592 0.043 Uiso 1 1 calc R . . 
C133 C 1.1209(9) 0.3012(6) 0.9032(6) 0.065(4) Uani 1 1 d . . . 
H13A H 1.1274 0.3133 0.8603 0.097 Uiso 1 1 calc R . . 
H13B H 1.0887 0.2649 0.8998 0.097 Uiso 1 1 calc R . . 
H13C H 1.1828 0.2975 0.9316 0.097 Uiso 1 1 calc R . . 
C134 C 1.1207(9) 0.3911(6) 0.9619(6) 0.060(4) Uani 1 1 d . . . 
H13D H 1.0798 0.4241 0.9619 0.072 Uiso 1 1 calc R . . 
H13E H 1.1684 0.4010 0.9372 0.072 Uiso 1 1 calc R . . 
C135 C 1.1671(6) 0.3770(5) 1.0289(5) 0.042(3) Uani 1 1 d . . . 
H13F H 1.1928 0.4113 1.0528 0.050 Uiso 1 1 calc R . . 
H13G H 1.2188 0.3503 1.0294 0.050 Uiso 1 1 calc R . . 
C136 C 1.1279(8) 0.3421(5) 1.1269(5) 0.047(3) Uani 1 1 d . . . 
H13H H 1.1759 0.3128 1.1338 0.070 Uiso 1 1 calc R . . 
H13I H 1.0758 0.3301 1.1458 0.070 Uiso 1 1 calc R . . 
H13J H 1.1544 0.3769 1.1477 0.070 Uiso 1 1 calc R . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Y1 N4 2.392(7) . ? 
Y1 O1 2.425(7) . ? 
Y1 N3 2.432(8) . ? 
Y1 N2 2.445(8) . ? 
Y1 O2 2.447(6) . ? 
Y1 N1 2.467(7) . ? 
Y1 Cl1 2.579(2) . ? 
Y2 N8 2.26(2) . ? 
Y2 N7 2.362(9) . ? 
Y2 N6 2.435(7) . ? 
Y2 O3 2.437(7) . ? 
Y2 N8' 2.470(10) . ? 
Y2 O4 2.485(6) . ? 
Y2 N5 2.492(8) . ? 
Y2 Cl2 2.568(3) . ? 
Y3 N12 2.372(8) . ? 
Y3 O5 2.406(6) . ? 
Y3 N11 2.415(8) . ? 
Y3 N10 2.424(8) . ? 
Y3 O6 2.439(6) . ? 
Y3 N9 2.496(7) . ? 
Y3 Cl3 2.586(3) . ? 
Y4 N15 2.377(8) . ? 
Y4 O7 2.397(6) . ? 
Y4 N16 2.398(8) . ? 
Y4 N14 2.411(7) . ? 
Y4 O8 2.440(6) . ? 
Y4 N13 2.465(7) . ? 
Y4 Cl4 2.596(2) . ? 
N1 C21 1.294(12) . ? 
N1 C2 1.429(12) . ? 
N2 C26 1.277(12) . ? 
N2 C12 1.451(11) . ? 
N3 C25 1.324(12) . ? 
N3 C22 1.384(11) . ? 
N4 C27 1.366(12) . ? 
N4 C30 1.425(11) . ? 
N5 C55 1.296(12) . ? 
N5 C36 1.440(12) . ? 
N6 C60' 1.291(9) . ? 
N6 C60 1.327(10) . ? 
N6 C46 1.444(11) . ? 
N7 C56 1.351(12) . ? 
N7 C59 1.372(12) . ? 
N9 C89 1.331(12) . ? 
N9 C70 1.406(11) . ? 
N10 C94 1.228(14) . ? 
N10 C80 1.465(12) . ? 
N11 C90 1.349(11) . ? 
N11 C93 1.359(12) . ? 
N12 C98 1.365(12) . ? 
N12 C95 1.367(13) . ? 
N13 C123 1.358(12) . ? 
N13 C104 1.475(12) . ? 
N14 C128 1.303(12) . ? 
N14 C114 1.440(11) . ? 
N15 C124 1.350(11) . ? 
N15 C127 1.401(12) . ? 
N16 C132 1.341(12) . ? 
N16 C129 1.436(12) . ? 
O1 C32 1.433(11) . ? 
O1 C31 1.439(10) . ? 
O2 C34 1.470(11) . ? 
O2 C33 1.492(11) . ? 
O3 C65 1.403(11) . ? 
O3 C66 1.492(12) . ? 
O4 C68 1.420(13) . ? 
O4 C67 1.431(13) . ? 
O5 C99 1.430(12) . ? 
O5 C100 1.497(13) . ? 
O6 C101 1.401(11) . ? 
O6 C102 1.473(12) . ? 
O7 C134 1.459(13) . ? 
O7 C133 1.500(12) . ? 
O8 C136 1.436(11) . ? 
O8 C135 1.482(11) . ? 
C1 C6 1.377(12) . ? 
C1 C2 1.421(13) . ? 
C1 C11 1.513(12) . ? 
C2 C3 1.390(12) . ? 
C3 C4 1.402(12) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.403(12) . ? 
C4 H4 0.9500 . ? 
C5 C6 1.397(12) . ? 
C5 C10 1.442(12) . ? 
C6 C7 1.482(12) . ? 
C7 C8 1.375(12) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.423(13) . ? 
C8 H8 0.9500 . ? 
C9 C10 1.391(14) . ? 
C9 H9 0.9500 . ? 
C10 H10 0.9500 . ? 
C11 C12 1.385(12) . ? 
C11 C16 1.466(12) . ? 
C12 C13 1.404(12) . ? 
C13 C14 1.325(13) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.449(13) . ? 
C14 H14 0.9500 . ? 
C15 C20 1.400(13) . ? 
C15 C16 1.432(12) . ? 
C16 C17 1.424(12) . ? 
C17 C18 1.376(14) . ? 
C17 H17 0.9500 . ? 
C18 C19 1.373(16) . ? 
C18 H18 0.9500 . ? 
C19 C20 1.356(14) . ? 
C19 H19 0.9500 . ? 
C20 H20 0.9500 . ? 
C21 C22 1.418(13) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.431(14) . ? 
C23 C24 1.415(14) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.431(14) . ? 
C24 H24 0.9500 . ? 
C25 H25 0.9500 . ? 
C26 C27 1.495(14) . ? 
C26 H26 0.9500 . ? 
C27 C28 1.407(12) . ? 
C28 C29 1.365(14) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.411(14) . ? 
C29 H29 0.9500 . ? 
C30 H30 0.9500 . ? 
C31 H31A 0.9800 . ? 
C31 H31B 0.9800 . ? 
C31 H31C 0.9800 . ? 
C32 C33 1.467(14) . ? 
C32 H32A 0.9900 . ? 
C32 H32B 0.9900 . ? 
C33 H33A 0.9900 . ? 
C33 H33B 0.9900 . ? 
C34 H34A 0.9800 . ? 
C34 H34B 0.9800 . ? 
C34 H34C 0.9800 . ? 
C35 C40 1.361(13) . ? 
C35 C36 1.369(14) . ? 
C35 C45 1.548(13) . ? 
C36 C37 1.502(12) . ? 
C37 C38 1.359(13) . ? 
C37 H37 0.9500 . ? 
C38 C39 1.439(14) . ? 
C38 H38 0.9500 . ? 
C39 C40 1.408(13) . ? 
C39 C44 1.458(14) . ? 
C40 C41 1.397(13) . ? 
C41 C42 1.397(14) . ? 
C41 H41 0.9500 . ? 
C42 C43 1.419(15) . ? 
C42 H42 0.9500 . ? 
C43 C44 1.332(15) . ? 
C43 H43 0.9500 . ? 
C44 H44 0.9500 . ? 
C45 C46 1.385(12) . ? 
C45 C50 1.410(11) . ? 
C46 C47 1.421(12) . ? 
C47 C48 1.359(12) . ? 
C47 H47 0.9500 . ? 
C48 C49 1.402(11) . ? 
C48 H48 0.9500 . ? 
C49 C54 1.414(12) . ? 
C49 C50 1.461(11) . ? 
C50 C51 1.404(12) . ? 
C51 C52 1.355(12) . ? 
C51 H51 0.9500 . ? 
C52 C53 1.408(12) . ? 
C52 H52 0.9500 . ? 
C53 C54 1.388(13) . ? 
C53 H53 0.9500 . ? 
C54 H54 0.9500 . ? 
C55 C56 1.457(13) . ? 
C55 H55 0.9500 . ? 
C56 C57 1.410(14) . ? 
C57 C58 1.371(14) . ? 
C57 H57 0.9500 . ? 
C58 C59 1.486(14) . ? 
C58 H58 0.9500 . ? 
C59 H59 0.9500 . ? 
C60 C61 1.504(10) . ? 
C60 H60A 0.9500 . ? 
C61 C62 1.424(18) . ? 
C61 N8 1.424(18) . ? 
C62 C63 1.424(18) . ? 
C62 H62A 0.9500 . ? 
C63 C64 1.424(18) . ? 
C63 H63A 0.9500 . ? 
C64 N8 1.424(18) . ? 
C64 H64A 0.9500 . ? 
C60' C61' 1.467(9) . ? 
C60' H60B 0.9500 . ? 
C61' C62' 1.350(8) . ? 
C61' N8' 1.351(8) . ? 
C62' C63' 1.350(8) . ? 
C62' H62B 0.9500 . ? 
C63' C64' 1.351(8) . ? 
C63' H63B 0.9500 . ? 
C64' N8' 1.351(8) . ? 
C64' H64B 0.9500 . ? 
C65 H65A 0.9800 . ? 
C65 H65B 0.9800 . ? 
C65 H65C 0.9800 . ? 
C66 C67 1.514(17) . ? 
C66 H66A 0.9900 . ? 
C66 H66B 0.9900 . ? 
C67 H67A 0.9900 . ? 
C67 H67B 0.9900 . ? 
C68 H68A 0.9800 . ? 
C68 H68B 0.9800 . ? 
C68 H68C 0.9800 . ? 
C69 C70 1.403(13) . ? 
C69 C74 1.442(12) . ? 
C69 C79 1.538(12) . ? 
C70 C71 1.425(12) . ? 
C71 C72 1.357(14) . ? 
C71 H71 0.9500 . ? 
C72 C73 1.382(16) . ? 
C72 H72 0.9500 . ? 
C73 C78 1.428(15) . ? 
C73 C74 1.427(12) . ? 
C74 C75 1.403(15) . ? 
C75 C76 1.354(15) . ? 
C75 H75 0.9500 . ? 
C76 C77 1.379(16) . ? 
C76 H76 0.9500 . ? 
C77 C78 1.435(18) . ? 
C77 H77 0.9500 . ? 
C78 H78 0.9500 . ? 
C79 C80 1.396(13) . ? 
C79 C84 1.431(12) . ? 
C80 C81 1.373(13) . ? 
C81 C82 1.418(13) . ? 
C81 H81 0.9500 . ? 
C82 C83 1.423(13) . ? 
C82 H82 0.9500 . ? 
C83 C88 1.396(13) . ? 
C83 C84 1.419(12) . ? 
C84 C85 1.414(12) . ? 
C85 C86 1.357(13) . ? 
C85 H85 0.9500 . ? 
C86 C87 1.423(14) . ? 
C86 H86 0.9500 . ? 
C87 C88 1.329(14) . ? 
C87 H87 0.9500 . ? 
C88 H88 0.9500 . ? 
C89 C90 1.400(13) . ? 
C89 H89 0.9500 . ? 
C90 C91 1.454(14) . ? 
C91 C92 1.425(15) . ? 
C91 H91 0.9500 . ? 
C92 C93 1.379(14) . ? 
C92 H92 0.9500 . ? 
C93 H93 0.9500 . ? 
C94 C95 1.479(15) . ? 
C94 H94 0.9500 . ? 
C95 C96 1.398(17) . ? 
C96 C97 1.398(16) . ? 
C96 H96 0.9500 . ? 
C97 C98 1.411(15) . ? 
C97 H97 0.9500 . ? 
C98 H98 0.9500 . ? 
C99 H99A 0.9800 . ? 
C99 H99B 0.9800 . ? 
C99 H99C 0.9800 . ? 
C100 C101 1.614(15) . ? 
C100 H10A 0.9900 . ? 
C100 H10B 0.9900 . ? 
C101 H10C 0.9900 . ? 
C101 H10D 0.9900 . ? 
C102 H10E 0.9800 . ? 
C102 H10F 0.9800 . ? 
C102 H10G 0.9800 . ? 
C103 C104 1.310(13) . ? 
C103 C108 1.402(12) . ? 
C103 C113 1.532(12) . ? 
C104 C105 1.439(12) . ? 
C105 C106 1.360(13) . ? 
C105 H105 0.9500 . ? 
C106 C107 1.407(14) . ? 
C106 H106 0.9500 . ? 
C107 C112 1.453(13) . ? 
C107 C108 1.466(12) . ? 
C108 C109 1.435(14) . ? 
C109 C110 1.392(14) . ? 
C109 H109 0.9500 . ? 
C110 C111 1.382(15) . ? 
C110 H110 0.9500 . ? 
C111 C112 1.377(16) . ? 
C111 H111 0.9500 . ? 
C112 H112 0.9500 . ? 
C113 C114 1.392(13) . ? 
C113 C118 1.404(12) . ? 
C114 C115 1.445(13) . ? 
C115 C116 1.315(14) . ? 
C115 H115 0.9500 . ? 
C116 C117 1.413(13) . ? 
C116 H116 0.9500 . ? 
C117 C118 1.414(14) . ? 
C117 C122 1.471(14) . ? 
C118 C119 1.467(13) . ? 
C119 C120 1.342(14) . ? 
C119 H119 0.9500 . ? 
C120 C121 1.414(14) . ? 
C120 H120 0.9500 . ? 
C121 C122 1.324(15) . ? 
C121 H121 0.9500 . ? 
C122 H122 0.9500 . ? 
C123 C124 1.429(13) . ? 
C123 H123 0.9500 . ? 
C124 C125 1.385(13) . ? 
C125 C126 1.413(13) . ? 
C125 H125 0.9500 . ? 
C126 C127 1.367(15) . ? 
C126 H126 0.9500 . ? 
C127 H127 0.9500 . ? 
C128 C129 1.359(13) . ? 
C128 H128 0.9500 . ? 
C129 C130 1.432(14) . ? 
C130 C131 1.413(14) . ? 
C130 H130 0.9500 . ? 
C131 C132 1.455(14) . ? 
C131 H131 0.9500 . ? 
C132 H132 0.9500 . ? 
C133 H13A 0.9800 . ? 
C133 H13B 0.9800 . ? 
C133 H13C 0.9800 . ? 
C134 C135 1.476(15) . ? 
C134 H13D 0.9900 . ? 
C134 H13E 0.9900 . ? 
C135 H13F 0.9900 . ? 
C135 H13G 0.9900 . ? 
C136 H13H 0.9800 . ? 
C136 H13I 0.9800 . ? 
C136 H13J 0.9800 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
N4 Y1 O1 85.6(3) . . ? 
N4 Y1 N3 161.7(3) . . ? 
O1 Y1 N3 83.8(3) . . ? 
N4 Y1 N2 68.3(3) . . ? 
O1 Y1 N2 119.0(2) . . ? 
N3 Y1 N2 129.9(3) . . ? 
N4 Y1 O2 80.5(3) . . ? 
O1 Y1 O2 67.0(2) . . ? 
N3 Y1 O2 81.7(2) . . ? 
N2 Y1 O2 147.0(2) . . ? 
N4 Y1 N1 122.5(3) . . ? 
O1 Y1 N1 75.8(2) . . ? 
N3 Y1 N1 68.8(3) . . ? 
N2 Y1 N1 74.6(3) . . ? 
O2 Y1 N1 134.5(3) . . ? 
N4 Y1 Cl1 95.3(2) . . ? 
O1 Y1 Cl1 152.89(16) . . ? 
N3 Y1 Cl1 87.5(2) . . ? 
N2 Y1 Cl1 86.04(18) . . ? 
O2 Y1 Cl1 86.38(17) . . ? 
N1 Y1 Cl1 124.48(19) . . ? 
N8 Y2 N7 162.9(4) . . ? 
N8 Y2 N6 71.4(4) . . ? 
N7 Y2 N6 125.4(3) . . ? 
N8 Y2 O3 84.1(6) . . ? 
N7 Y2 O3 83.3(3) . . ? 
N6 Y2 O3 122.4(3) . . ? 
N8 Y2 N8' 4.7(8) . . ? 
N7 Y2 N8' 163.3(3) . . ? 
N6 Y2 N8' 69.7(3) . . ? 
O3 Y2 N8' 81.7(3) . . ? 
N8 Y2 O4 81.8(5) . . ? 
N7 Y2 O4 82.7(3) . . ? 
N6 Y2 O4 149.6(2) . . ? 
O3 Y2 O4 66.9(3) . . ? 
N8' Y2 O4 84.6(3) . . ? 
N8 Y2 N5 119.3(7) . . ? 
N7 Y2 N5 68.0(3) . . ? 
N6 Y2 N5 73.8(3) . . ? 
O3 Y2 N5 74.8(2) . . ? 
N8' Y2 N5 114.7(3) . . ? 
O4 Y2 N5 134.0(3) . . ? 
N8 Y2 Cl2 98.6(7) . . ? 
N7 Y2 Cl2 87.4(2) . . ? 
N6 Y2 Cl2 84.1(2) . . ? 
O3 Y2 Cl2 152.21(19) . . ? 
N8' Y2 Cl2 102.6(3) . . ? 
O4 Y2 Cl2 86.03(19) . . ? 
N5 Y2 Cl2 125.27(17) . . ? 
N12 Y3 O5 82.6(3) . . ? 
N12 Y3 N11 161.2(2) . . ? 
O5 Y3 N11 85.9(2) . . ? 
N12 Y3 N10 69.2(3) . . ? 
O5 Y3 N10 118.5(2) . . ? 
N11 Y3 N10 129.6(2) . . ? 
N12 Y3 O6 78.8(3) . . ? 
O5 Y3 O6 66.7(2) . . ? 
N11 Y3 O6 83.0(2) . . ? 
N10 Y3 O6 145.9(2) . . ? 
N12 Y3 N9 122.9(3) . . ? 
O5 Y3 N9 76.4(2) . . ? 
N11 Y3 N9 68.0(2) . . ? 
N10 Y3 N9 75.7(2) . . ? 
O6 Y3 N9 134.3(2) . . ? 
N12 Y3 Cl3 99.4(2) . . ? 
O5 Y3 Cl3 152.86(17) . . ? 
N11 Y3 Cl3 84.28(19) . . ? 
N10 Y3 Cl3 86.88(19) . . ? 
O6 Y3 Cl3 87.01(17) . . ? 
N9 Y3 Cl3 122.36(17) . . ? 
N15 Y4 O7 87.2(3) . . ? 
N15 Y4 N16 160.8(3) . . ? 
O7 Y4 N16 86.1(3) . . ? 
N15 Y4 N14 128.2(3) . . ? 
O7 Y4 N14 118.0(3) . . ? 
N16 Y4 N14 70.5(3) . . ? 
N15 Y4 O8 84.1(3) . . ? 
O7 Y4 O8 66.8(2) . . ? 
N16 Y4 O8 76.8(2) . . ? 
N14 Y4 O8 146.2(3) . . ? 
N15 Y4 N13 67.9(3) . . ? 
O7 Y4 N13 72.6(2) . . ? 
N16 Y4 N13 126.5(3) . . ? 
N14 Y4 N13 77.4(3) . . ? 
O8 Y4 N13 131.3(2) . . ? 
N15 Y4 Cl4 85.0(2) . . ? 
O7 Y4 Cl4 155.47(18) . . ? 
N16 Y4 Cl4 93.8(2) . . ? 
N14 Y4 Cl4 84.8(2) . . ? 
O8 Y4 Cl4 89.24(16) . . ? 
N13 Y4 Cl4 124.85(18) . . ? 
C21 N1 C2 117.1(7) . . ? 
C21 N1 Y1 113.2(6) . . ? 
C2 N1 Y1 120.9(6) . . ? 
C26 N2 C12 117.5(8) . . ? 
C26 N2 Y1 116.6(6) . . ? 
C12 N2 Y1 122.1(5) . . ? 
C25 N3 C22 107.9(8) . . ? 
C25 N3 Y1 137.6(6) . . ? 
C22 N3 Y1 111.7(6) . . ? 
C27 N4 C30 102.3(7) . . ? 
C27 N4 Y1 116.8(6) . . ? 
C30 N4 Y1 139.5(6) . . ? 
C55 N5 C36 117.4(8) . . ? 
C55 N5 Y2 115.9(6) . . ? 
C36 N5 Y2 126.2(6) . . ? 
C60' N6 C60 37.7(11) . . ? 
C60' N6 C46 115.5(8) . . ? 
C60 N6 C46 115.7(11) . . ? 
C60' N6 Y2 116.4(7) . . ? 
C60 N6 Y2 118.9(10) . . ? 
C46 N6 Y2 123.3(5) . . ? 
C56 N7 C59 106.5(9) . . ? 
C56 N7 Y2 118.2(6) . . ? 
C59 N7 Y2 134.4(7) . . ? 
C89 N9 C70 117.7(8) . . ? 
C89 N9 Y3 113.9(6) . . ? 
C70 N9 Y3 120.7(5) . . ? 
C94 N10 C80 117.0(9) . . ? 
C94 N10 Y3 115.5(7) . . ? 
C80 N10 Y3 126.6(6) . . ? 
C90 N11 C93 109.1(8) . . ? 
C90 N11 Y3 115.2(6) . . ? 
C93 N11 Y3 134.9(6) . . ? 
C98 N12 C95 104.2(9) . . ? 
C98 N12 Y3 139.2(7) . . ? 
C95 N12 Y3 116.4(6) . . ? 
C123 N13 C104 118.8(7) . . ? 
C123 N13 Y4 115.3(6) . . ? 
C104 N13 Y4 119.8(5) . . ? 
C128 N14 C114 119.8(8) . . ? 
C128 N14 Y4 113.5(6) . . ? 
C114 N14 Y4 124.3(6) . . ? 
C124 N15 C127 106.2(8) . . ? 
C124 N15 Y4 117.0(6) . . ? 
C127 N15 Y4 135.5(7) . . ? 
C132 N16 C129 106.8(8) . . ? 
C132 N16 Y4 141.4(7) . . ? 
C129 N16 Y4 109.2(6) . . ? 
C32 O1 C31 113.0(7) . . ? 
C32 O1 Y1 112.8(5) . . ? 
C31 O1 Y1 120.5(5) . . ? 
C34 O2 C33 112.5(7) . . ? 
C34 O2 Y1 126.0(6) . . ? 
C33 O2 Y1 117.7(5) . . ? 
C65 O3 C66 114.2(8) . . ? 
C65 O3 Y2 123.9(6) . . ? 
C66 O3 Y2 113.1(6) . . ? 
C68 O4 C67 109.6(8) . . ? 
C68 O4 Y2 130.4(7) . . ? 
C67 O4 Y2 118.9(6) . . ? 
C99 O5 C100 116.0(8) . . ? 
C99 O5 Y3 127.2(7) . . ? 
C100 O5 Y3 109.8(6) . . ? 
C101 O6 C102 111.6(8) . . ? 
C101 O6 Y3 121.2(6) . . ? 
C102 O6 Y3 125.3(6) . . ? 
C134 O7 C133 113.8(9) . . ? 
C134 O7 Y4 112.1(6) . . ? 
C133 O7 Y4 119.4(7) . . ? 
C136 O8 C135 112.2(7) . . ? 
C136 O8 Y4 126.8(6) . . ? 
C135 O8 Y4 119.7(5) . . ? 
C6 C1 C2 117.4(8) . . ? 
C6 C1 C11 122.0(9) . . ? 
C2 C1 C11 120.5(8) . . ? 
C3 C2 C1 120.4(8) . . ? 
C3 C2 N1 120.1(8) . . ? 
C1 C2 N1 119.4(8) . . ? 
C2 C3 C4 120.9(8) . . ? 
C2 C3 H3 119.6 . . ? 
C4 C3 H3 119.6 . . ? 
C3 C4 C5 118.9(8) . . ? 
C3 C4 H4 120.5 . . ? 
C5 C4 H4 120.5 . . ? 
C6 C5 C4 119.0(8) . . ? 
C6 C5 C10 121.3(8) . . ? 
C4 C5 C10 119.6(9) . . ? 
C1 C6 C5 123.1(8) . . ? 
C1 C6 C7 121.6(8) . . ? 
C5 C6 C7 115.3(8) . . ? 
C8 C7 C6 123.2(9) . . ? 
C8 C7 H7 118.4 . . ? 
C6 C7 H7 118.4 . . ? 
C7 C8 C9 119.5(10) . . ? 
C7 C8 H8 120.2 . . ? 
C9 C8 H8 120.2 . . ? 
C10 C9 C8 119.4(10) . . ? 
C10 C9 H9 120.3 . . ? 
C8 C9 H9 120.3 . . ? 
C9 C10 C5 121.1(9) . . ? 
C9 C10 H10 119.4 . . ? 
C5 C10 H10 119.4 . . ? 
C12 C11 C16 119.3(8) . . ? 
C12 C11 C1 120.9(8) . . ? 
C16 C11 C1 119.8(8) . . ? 
C11 C12 C13 121.3(8) . . ? 
C11 C12 N2 118.0(8) . . ? 
C13 C12 N2 120.6(8) . . ? 
C14 C13 C12 120.4(9) . . ? 
C14 C13 H13 119.8 . . ? 
C12 C13 H13 119.8 . . ? 
C13 C14 C15 122.8(8) . . ? 
C13 C14 H14 118.6 . . ? 
C15 C14 H14 118.6 . . ? 
C20 C15 C16 117.1(9) . . ? 
C20 C15 C14 125.2(9) . . ? 
C16 C15 C14 117.7(8) . . ? 
C17 C16 C15 120.0(8) . . ? 
C17 C16 C11 121.9(8) . . ? 
C15 C16 C11 118.0(8) . . ? 
C18 C17 C16 118.9(9) . . ? 
C18 C17 H17 120.6 . . ? 
C16 C17 H17 120.6 . . ? 
C19 C18 C17 121.0(10) . . ? 
C19 C18 H18 119.5 . . ? 
C17 C18 H18 119.5 . . ? 
C20 C19 C18 121.0(10) . . ? 
C20 C19 H19 119.5 . . ? 
C18 C19 H19 119.5 . . ? 
C19 C20 C15 121.9(10) . . ? 
C19 C20 H20 119.1 . . ? 
C15 C20 H20 119.1 . . ? 
N1 C21 C22 120.6(8) . . ? 
N1 C21 H21 119.7 . . ? 
C22 C21 H21 119.7 . . ? 
N3 C22 C21 120.0(9) . . ? 
N3 C22 C23 109.0(8) . . ? 
C21 C22 C23 130.8(9) . . ? 
C24 C23 C22 106.4(9) . . ? 
C24 C23 H23 126.8 . . ? 
C22 C23 H23 126.8 . . ? 
C23 C24 C25 105.0(9) . . ? 
C23 C24 H24 127.5 . . ? 
C25 C24 H24 127.5 . . ? 
N3 C25 C24 111.8(8) . . ? 
N3 C25 H25 124.1 . . ? 
C24 C25 H25 124.1 . . ? 
N2 C26 C27 118.8(9) . . ? 
N2 C26 H26 120.6 . . ? 
C27 C26 H26 120.6 . . ? 
N4 C27 C28 115.1(9) . . ? 
N4 C27 C26 116.2(8) . . ? 
C28 C27 C26 128.3(9) . . ? 
C29 C28 C27 103.5(9) . . ? 
C29 C28 H28 128.3 . . ? 
C27 C28 H28 128.3 . . ? 
C28 C29 C30 109.9(10) . . ? 
C28 C29 H29 125.0 . . ? 
C30 C29 H29 125.0 . . ? 
C29 C30 N4 109.0(9) . . ? 
C29 C30 H30 125.5 . . ? 
N4 C30 H30 125.5 . . ? 
O1 C31 H31A 109.5 . . ? 
O1 C31 H31B 109.5 . . ? 
H31A C31 H31B 109.5 . . ? 
O1 C31 H31C 109.5 . . ? 
H31A C31 H31C 109.5 . . ? 
H31B C31 H31C 109.5 . . ? 
O1 C32 C33 110.0(8) . . ? 
O1 C32 H32A 109.7 . . ? 
C33 C32 H32A 109.7 . . ? 
O1 C32 H32B 109.7 . . ? 
C33 C32 H32B 109.7 . . ? 
H32A C32 H32B 108.2 . . ? 
C32 C33 O2 107.7(8) . . ? 
C32 C33 H33A 110.2 . . ? 
O2 C33 H33A 110.2 . . ? 
C32 C33 H33B 110.2 . . ? 
O2 C33 H33B 110.2 . . ? 
H33A C33 H33B 108.5 . . ? 
O2 C34 H34A 109.5 . . ? 
O2 C34 H34B 109.5 . . ? 
H34A C34 H34B 109.5 . . ? 
O2 C34 H34C 109.5 . . ? 
H34A C34 H34C 109.5 . . ? 
H34B C34 H34C 109.5 . . ? 
C40 C35 C36 122.8(10) . . ? 
C40 C35 C45 122.3(9) . . ? 
C36 C35 C45 114.9(9) . . ? 
C35 C36 N5 126.9(8) . . ? 
C35 C36 C37 117.5(9) . . ? 
N5 C36 C37 115.1(7) . . ? 
C38 C37 C36 119.8(9) . . ? 
C38 C37 H37 120.1 . . ? 
C36 C37 H37 120.1 . . ? 
C37 C38 C39 119.8(10) . . ? 
C37 C38 H38 120.1 . . ? 
C39 C38 H38 120.1 . . ? 
C40 C39 C38 119.4(9) . . ? 
C40 C39 C44 119.1(9) . . ? 
C38 C39 C44 121.5(9) . . ? 
C35 C40 C41 122.2(9) . . ? 
C35 C40 C39 120.6(10) . . ? 
C41 C40 C39 117.1(9) . . ? 
C40 C41 C42 122.6(9) . . ? 
C40 C41 H41 118.7 . . ? 
C42 C41 H41 118.7 . . ? 
C41 C42 C43 119.8(9) . . ? 
C41 C42 H42 120.1 . . ? 
C43 C42 H42 120.1 . . ? 
C44 C43 C42 118.6(10) . . ? 
C44 C43 H43 120.7 . . ? 
C42 C43 H43 120.7 . . ? 
C43 C44 C39 122.5(10) . . ? 
C43 C44 H44 118.7 . . ? 
C39 C44 H44 118.7 . . ? 
C46 C45 C50 120.8(8) . . ? 
C46 C45 C35 120.5(7) . . ? 
C50 C45 C35 118.5(8) . . ? 
C45 C46 C47 120.7(8) . . ? 
C45 C46 N6 120.7(7) . . ? 
C47 C46 N6 118.5(8) . . ? 
C48 C47 C46 118.9(8) . . ? 
C48 C47 H47 120.6 . . ? 
C46 C47 H47 120.6 . . ? 
C47 C48 C49 123.0(8) . . ? 
C47 C48 H48 118.5 . . ? 
C49 C48 H48 118.5 . . ? 
C48 C49 C54 123.7(8) . . ? 
C48 C49 C50 118.0(8) . . ? 
C54 C49 C50 118.2(8) . . ? 
C51 C50 C45 123.5(8) . . ? 
C51 C50 C49 118.4(8) . . ? 
C45 C50 C49 118.1(8) . . ? 
C52 C51 C50 121.0(8) . . ? 
C52 C51 H51 119.5 . . ? 
C50 C51 H51 119.5 . . ? 
C51 C52 C53 122.2(9) . . ? 
C51 C52 H52 118.9 . . ? 
C53 C52 H52 118.9 . . ? 
C54 C53 C52 118.7(8) . . ? 
C54 C53 H53 120.7 . . ? 
C52 C53 H53 120.7 . . ? 
C53 C54 C49 121.2(8) . . ? 
C53 C54 H54 119.4 . . ? 
C49 C54 H54 119.4 . . ? 
N5 C55 C56 118.6(9) . . ? 
N5 C55 H55 120.7 . . ? 
C56 C55 H55 120.7 . . ? 
N7 C56 C57 111.6(9) . . ? 
N7 C56 C55 118.1(9) . . ? 
C57 C56 C55 129.6(9) . . ? 
C58 C57 C56 107.9(10) . . ? 
C58 C57 H57 126.1 . . ? 
C56 C57 H57 126.1 . . ? 
C57 C58 C59 104.7(10) . . ? 
C57 C58 H58 127.7 . . ? 
C59 C58 H58 127.7 . . ? 
N7 C59 C58 109.1(9) . . ? 
N7 C59 H59 125.4 . . ? 
C58 C59 H59 125.4 . . ? 
N6 C60 C61 109.4(13) . . ? 
N6 C60 H60A 125.3 . . ? 
C61 C60 H60A 125.3 . . ? 
C62 C61 N8 108.0 . . ? 
C62 C61 C60 127.9(8) . . ? 
N8 C61 C60 124.1(8) . . ? 
C61 C62 C63 108.0 . . ? 
C61 C62 H62A 126.0 . . ? 
C63 C62 H62A 126.0 . . ? 
C64 C63 C62 108.0 . . ? 
C64 C63 H63A 126.0 . . ? 
C62 C63 H63A 126.0 . . ? 
C63 C64 N8 108.0 . . ? 
C63 C64 H64A 126.0 . . ? 
N8 C64 H64A 126.0 . . ? 
C61 N8 C64 108.0 . . ? 
C61 N8 Y2 113.4(8) . . ? 
C64 N8 Y2 137.3(8) . . ? 
N6 C60' C61' 113.5(10) . . ? 
N6 C60' H60B 123.2 . . ? 
C61' C60' H60B 123.2 . . ? 
C62' C61' N8' 108.0 . . ? 
C62' C61' C60' 124.8(8) . . ? 
N8' C61' C60' 127.2(8) . . ? 
C61' C62' C63' 108.0 . . ? 
C61' C62' H62B 126.0 . . ? 
C63' C62' H62B 126.0 . . ? 
C62' C63' C64' 108.0 . . ? 
C62' C63' H63B 126.0 . . ? 
C64' C63' H63B 126.0 . . ? 
N8' C64' C63' 108.0 . . ? 
N8' C64' H64B 126.0 . . ? 
C63' C64' H64B 126.0 . . ? 
C64' N8' C61' 108.0 . . ? 
C64' N8' Y2 142.1(5) . . ? 
C61' N8' Y2 107.2(5) . . ? 
O3 C65 H65A 109.5 . . ? 
O3 C65 H65B 109.5 . . ? 
H65A C65 H65B 109.5 . . ? 
O3 C65 H65C 109.5 . . ? 
H65A C65 H65C 109.5 . . ? 
H65B C65 H65C 109.5 . . ? 
O3 C66 C67 107.8(9) . . ? 
O3 C66 H66A 110.2 . . ? 
C67 C66 H66A 110.2 . . ? 
O3 C66 H66B 110.2 . . ? 
C67 C66 H66B 110.2 . . ? 
H66A C66 H66B 108.5 . . ? 
O4 C67 C66 109.4(8) . . ? 
O4 C67 H67A 109.8 . . ? 
C66 C67 H67A 109.8 . . ? 
O4 C67 H67B 109.8 . . ? 
C66 C67 H67B 109.8 . . ? 
H67A C67 H67B 108.2 . . ? 
O4 C68 H68A 109.5 . . ? 
O4 C68 H68B 109.5 . . ? 
H68A C68 H68B 109.5 . . ? 
O4 C68 H68C 109.5 . . ? 
H68A C68 H68C 109.5 . . ? 
H68B C68 H68C 109.5 . . ? 
C70 C69 C74 121.6(8) . . ? 
C70 C69 C79 119.8(7) . . ? 
C74 C69 C79 118.6(8) . . ? 
C69 C70 N9 121.0(8) . . ? 
C69 C70 C71 116.6(8) . . ? 
N9 C70 C71 122.1(9) . . ? 
C72 C71 C70 122.9(10) . . ? 
C72 C71 H71 118.6 . . ? 
C70 C71 H71 118.6 . . ? 
C71 C72 C73 120.7(9) . . ? 
C71 C72 H72 119.6 . . ? 
C73 C72 H72 119.6 . . ? 
C72 C73 C78 121.3(10) . . ? 
C72 C73 C74 120.4(9) . . ? 
C78 C73 C74 117.9(10) . . ? 
C75 C74 C73 119.5(9) . . ? 
C75 C74 C69 123.1(9) . . ? 
C73 C74 C69 117.4(9) . . ? 
C76 C75 C74 119.5(11) . . ? 
C76 C75 H75 120.2 . . ? 
C74 C75 H75 120.2 . . ? 
C75 C76 C77 126.0(11) . . ? 
C75 C76 H76 117.0 . . ? 
C77 C76 H76 117.0 . . ? 
C76 C77 C78 114.9(10) . . ? 
C76 C77 H77 122.6 . . ? 
C78 C77 H77 122.6 . . ? 
C73 C78 C77 122.1(11) . . ? 
C73 C78 H78 119.0 . . ? 
C77 C78 H78 119.0 . . ? 
C80 C79 C84 118.2(8) . . ? 
C80 C79 C69 121.8(8) . . ? 
C84 C79 C69 120.0(8) . . ? 
C81 C80 C79 123.1(9) . . ? 
C81 C80 N10 120.7(8) . . ? 
C79 C80 N10 116.1(8) . . ? 
C80 C81 C82 119.1(9) . . ? 
C80 C81 H81 120.4 . . ? 
C82 C81 H81 120.4 . . ? 
C81 C82 C83 120.5(9) . . ? 
C81 C82 H82 119.8 . . ? 
C83 C82 H82 119.8 . . ? 
C88 C83 C84 119.2(8) . . ? 
C88 C83 C82 122.1(9) . . ? 
C84 C83 C82 118.7(8) . . ? 
C85 C84 C83 117.4(8) . . ? 
C85 C84 C79 122.1(8) . . ? 
C83 C84 C79 120.4(8) . . ? 
C86 C85 C84 121.2(9) . . ? 
C86 C85 H85 119.4 . . ? 
C84 C85 H85 119.4 . . ? 
C85 C86 C87 120.5(9) . . ? 
C85 C86 H86 119.7 . . ? 
C87 C86 H86 119.7 . . ? 
C88 C87 C86 118.8(9) . . ? 
C88 C87 H87 120.6 . . ? 
C86 C87 H87 120.6 . . ? 
C87 C88 C83 122.9(9) . . ? 
C87 C88 H88 118.6 . . ? 
C83 C88 H88 118.6 . . ? 
N9 C89 C90 118.5(8) . . ? 
N9 C89 H89 120.7 . . ? 
C90 C89 H89 120.7 . . ? 
N11 C90 C89 121.6(8) . . ? 
N11 C90 C91 109.0(8) . . ? 
C89 C90 C91 129.4(9) . . ? 
C92 C91 C90 103.9(9) . . ? 
C92 C91 H91 128.1 . . ? 
C90 C91 H91 128.1 . . ? 
C93 C92 C91 108.1(10) . . ? 
C93 C92 H92 125.9 . . ? 
C91 C92 H92 125.9 . . ? 
N11 C93 C92 109.6(9) . . ? 
N11 C93 H93 125.2 . . ? 
C92 C93 H93 125.2 . . ? 
N10 C94 C95 122.0(11) . . ? 
N10 C94 H94 119.0 . . ? 
C95 C94 H94 119.0 . . ? 
N12 C95 C96 112.3(10) . . ? 
N12 C95 C94 115.2(10) . . ? 
C96 C95 C94 131.3(12) . . ? 
C97 C96 C95 104.7(12) . . ? 
C97 C96 H96 127.6 . . ? 
C95 C96 H96 127.6 . . ? 
C96 C97 C98 106.0(10) . . ? 
C96 C97 H97 127.0 . . ? 
C98 C97 H97 127.0 . . ? 
N12 C98 C97 111.3(10) . . ? 
N12 C98 H98 124.4 . . ? 
C97 C98 H98 124.4 . . ? 
O5 C99 H99A 109.5 . . ? 
O5 C99 H99B 109.5 . . ? 
H99A C99 H99B 109.5 . . ? 
O5 C99 H99C 109.5 . . ? 
H99A C99 H99C 109.5 . . ? 
H99B C99 H99C 109.5 . . ? 
O5 C100 C101 102.8(9) . . ? 
O5 C100 H10A 111.2 . . ? 
C101 C100 H10A 111.2 . . ? 
O5 C100 H10B 111.2 . . ? 
C101 C100 H10B 111.2 . . ? 
H10A C100 H10B 109.1 . . ? 
O6 C101 C100 104.2(8) . . ? 
O6 C101 H10C 110.9 . . ? 
C100 C101 H10C 110.9 . . ? 
O6 C101 H10D 110.9 . . ? 
C100 C101 H10D 110.9 . . ? 
H10C C101 H10D 108.9 . . ? 
O6 C102 H10E 109.5 . . ? 
O6 C102 H10F 109.5 . . ? 
H10E C102 H10F 109.5 . . ? 
O6 C102 H10G 109.5 . . ? 
H10E C102 H10G 109.5 . . ? 
H10F C102 H10G 109.5 . . ? 
C104 C103 C108 122.0(9) . . ? 
C104 C103 C113 122.1(8) . . ? 
C108 C103 C113 115.9(9) . . ? 
C103 C104 C105 122.5(9) . . ? 
C103 C104 N13 121.1(8) . . ? 
C105 C104 N13 116.3(8) . . ? 
C106 C105 C104 118.0(10) . . ? 
C106 C105 H105 121.0 . . ? 
C104 C105 H105 121.0 . . ? 
C105 C106 C107 121.0(9) . . ? 
C105 C106 H106 119.5 . . ? 
C107 C106 H106 119.5 . . ? 
C106 C107 C112 123.6(9) . . ? 
C106 C107 C108 119.2(8) . . ? 
C112 C107 C108 117.2(10) . . ? 
C103 C108 C109 124.3(9) . . ? 
C103 C108 C107 116.6(9) . . ? 
C109 C108 C107 118.7(9) . . ? 
C110 C109 C108 119.9(10) . . ? 
C110 C109 H109 120.0 . . ? 
C108 C109 H109 120.0 . . ? 
C111 C110 C109 122.1(11) . . ? 
C111 C110 H110 119.0 . . ? 
C109 C110 H110 119.0 . . ? 
C112 C111 C110 120.5(10) . . ? 
C112 C111 H111 119.7 . . ? 
C110 C111 H111 119.7 . . ? 
C111 C112 C107 121.4(10) . . ? 
C111 C112 H112 119.3 . . ? 
C107 C112 H112 119.3 . . ? 
C114 C113 C118 119.0(8) . . ? 
C114 C113 C103 119.4(8) . . ? 
C118 C113 C103 121.6(8) . . ? 
C113 C114 N14 121.3(8) . . ? 
C113 C114 C115 118.5(8) . . ? 
N14 C114 C115 120.2(8) . . ? 
C116 C115 C114 121.6(9) . . ? 
C116 C115 H115 119.2 . . ? 
C114 C115 H115 119.2 . . ? 
C115 C116 C117 121.7(10) . . ? 
C115 C116 H116 119.2 . . ? 
C117 C116 H116 119.2 . . ? 
C118 C117 C116 117.5(9) . . ? 
C118 C117 C122 117.8(9) . . ? 
C116 C117 C122 124.6(10) . . ? 
C113 C118 C117 121.4(8) . . ? 
C113 C118 C119 120.9(9) . . ? 
C117 C118 C119 117.6(9) . . ? 
C120 C119 C118 121.2(9) . . ? 
C120 C119 H119 119.4 . . ? 
C118 C119 H119 119.4 . . ? 
C119 C120 C121 120.8(10) . . ? 
C119 C120 H120 119.6 . . ? 
C121 C120 H120 119.6 . . ? 
C122 C121 C120 120.8(9) . . ? 
C122 C121 H121 119.6 . . ? 
C120 C121 H121 119.6 . . ? 
C121 C122 C117 121.6(10) . . ? 
C121 C122 H122 119.2 . . ? 
C117 C122 H122 119.2 . . ? 
N13 C123 C124 115.9(8) . . ? 
N13 C123 H123 122.0 . . ? 
C124 C123 H123 122.0 . . ? 
N15 C124 C125 110.6(8) . . ? 
N15 C124 C123 120.2(8) . . ? 
C125 C124 C123 128.9(9) . . ? 
C124 C125 C126 106.3(9) . . ? 
C124 C125 H125 126.9 . . ? 
C126 C125 H125 126.9 . . ? 
C127 C126 C125 106.9(9) . . ? 
C127 C126 H126 126.6 . . ? 
C125 C126 H126 126.6 . . ? 
C126 C127 N15 109.7(9) . . ? 
C126 C127 H127 125.2 . . ? 
N15 C127 H127 125.2 . . ? 
N14 C128 C129 120.4(10) . . ? 
N14 C128 H128 119.8 . . ? 
C129 C128 H128 119.8 . . ? 
C128 C129 C130 129.8(9) . . ? 
C128 C129 N16 121.7(9) . . ? 
C130 C129 N16 108.4(8) . . ? 
C131 C130 C129 107.7(9) . . ? 
C131 C130 H130 126.2 . . ? 
C129 C130 H130 126.2 . . ? 
C130 C131 C132 105.2(8) . . ? 
C130 C131 H131 127.4 . . ? 
C132 C131 H131 127.4 . . ? 
N16 C132 C131 111.8(9) . . ? 
N16 C132 H132 124.1 . . ? 
C131 C132 H132 124.1 . . ? 
O7 C133 H13A 109.5 . . ? 
O7 C133 H13B 109.5 . . ? 
H13A C133 H13B 109.5 . . ? 
O7 C133 H13C 109.5 . . ? 
H13A C133 H13C 109.5 . . ? 
H13B C133 H13C 109.5 . . ? 
O7 C134 C135 110.8(10) . . ? 
O7 C134 H13D 109.5 . . ? 
C135 C134 H13D 109.5 . . ? 
O7 C134 H13E 109.5 . . ? 
C135 C134 H13E 109.5 . . ? 
H13D C134 H13E 108.1 . . ? 
C134 C135 O8 106.5(8) . . ? 
C134 C135 H13F 110.4 . . ? 
O8 C135 H13F 110.4 . . ? 
C134 C135 H13G 110.4 . . ? 
O8 C135 H13G 110.4 . . ? 
H13F C135 H13G 108.6 . . ? 
O8 C136 H13H 109.5 . . ? 
O8 C136 H13I 109.5 . . ? 
H13H C136 H13I 109.5 . . ? 
O8 C136 H13J 109.5 . . ? 
H13H C136 H13J 109.5 . . ? 
H13I C136 H13J 109.5 . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
N4 Y1 N1 C21 -144.3(6) . . . . ? 
O1 Y1 N1 C21 -69.1(7) . . . . ? 
N3 Y1 N1 C21 19.7(6) . . . . ? 
N2 Y1 N1 C21 164.9(7) . . . . ? 
O2 Y1 N1 C21 -33.7(8) . . . . ? 
Cl1 Y1 N1 C21 90.9(7) . . . . ? 
N4 Y1 N1 C2 2.2(8) . . . . ? 
O1 Y1 N1 C2 77.3(6) . . . . ? 
N3 Y1 N1 C2 166.1(7) . . . . ? 
N2 Y1 N1 C2 -48.7(6) . . . . ? 
O2 Y1 N1 C2 112.8(7) . . . . ? 
Cl1 Y1 N1 C2 -122.6(6) . . . . ? 
N4 Y1 N2 C26 15.7(7) . . . . ? 
O1 Y1 N2 C26 87.3(7) . . . . ? 
N3 Y1 N2 C26 -165.1(7) . . . . ? 
O2 Y1 N2 C26 -4.5(9) . . . . ? 
N1 Y1 N2 C26 151.0(7) . . . . ? 
Cl1 Y1 N2 C26 -81.6(7) . . . . ? 
N4 Y1 N2 C12 173.2(7) . . . . ? 
O1 Y1 N2 C12 -115.1(6) . . . . ? 
N3 Y1 N2 C12 -7.5(8) . . . . ? 
O2 Y1 N2 C12 153.1(6) . . . . ? 
N1 Y1 N2 C12 -51.5(6) . . . . ? 
Cl1 Y1 N2 C12 75.9(6) . . . . ? 
N4 Y1 N3 C25 -44.4(15) . . . . ? 
O1 Y1 N3 C25 -99.2(10) . . . . ? 
N2 Y1 N3 C25 137.8(9) . . . . ? 
O2 Y1 N3 C25 -31.6(9) . . . . ? 
N1 Y1 N3 C25 -176.3(10) . . . . ? 
Cl1 Y1 N3 C25 55.1(9) . . . . ? 
N4 Y1 N3 C22 113.1(9) . . . . ? 
O1 Y1 N3 C22 58.3(6) . . . . ? 
N2 Y1 N3 C22 -64.6(7) . . . . ? 
O2 Y1 N3 C22 125.9(6) . . . . ? 
N1 Y1 N3 C22 -18.8(6) . . . . ? 
Cl1 Y1 N3 C22 -147.4(6) . . . . ? 
O1 Y1 N4 C27 -137.7(7) . . . . ? 
N3 Y1 N4 C27 167.8(8) . . . . ? 
N2 Y1 N4 C27 -14.1(7) . . . . ? 
O2 Y1 N4 C27 154.9(7) . . . . ? 
N1 Y1 N4 C27 -67.7(8) . . . . ? 
Cl1 Y1 N4 C27 69.5(7) . . . . ? 
O1 Y1 N4 C30 58.5(9) . . . . ? 
N3 Y1 N4 C30 4.0(15) . . . . ? 
N2 Y1 N4 C30 -177.9(10) . . . . ? 
O2 Y1 N4 C30 -8.9(9) . . . . ? 
N1 Y1 N4 C30 128.5(9) . . . . ? 
Cl1 Y1 N4 C30 -94.3(9) . . . . ? 
N8 Y2 N5 C55 -156.5(7) . . . . ? 
N7 Y2 N5 C55 6.4(6) . . . . ? 
N6 Y2 N5 C55 146.5(7) . . . . ? 
O3 Y2 N5 C55 -82.4(6) . . . . ? 
N8' Y2 N5 C55 -155.6(6) . . . . ? 
O4 Y2 N5 C55 -48.2(7) . . . . ? 
Cl2 Y2 N5 C55 76.1(6) . . . . ? 
N8 Y2 N5 C36 15.5(9) . . . . ? 
N7 Y2 N5 C36 178.4(7) . . . . ? 
N6 Y2 N5 C36 -41.5(7) . . . . ? 
O3 Y2 N5 C36 89.6(7) . . . . ? 
N8' Y2 N5 C36 16.4(7) . . . . ? 
O4 Y2 N5 C36 123.8(7) . . . . ? 
Cl2 Y2 N5 C36 -111.9(6) . . . . ? 
N8 Y2 N6 C60' -26.9(10) . . . . ? 
N7 Y2 N6 C60' 149.4(8) . . . . ? 
O3 Y2 N6 C60' 43.0(9) . . . . ? 
N8' Y2 N6 C60' -22.3(8) . . . . ? 
O4 Y2 N6 C60' -56.4(10) . . . . ? 
N5 Y2 N6 C60' 102.5(8) . . . . ? 
Cl2 Y2 N6 C60' -128.1(8) . . . . ? 
N8 Y2 N6 C60 15.8(14) . . . . ? 
N7 Y2 N6 C60 -167.9(13) . . . . ? 
O3 Y2 N6 C60 85.7(14) . . . . ? 
N8' Y2 N6 C60 20.4(14) . . . . ? 
O4 Y2 N6 C60 -13.6(16) . . . . ? 
N5 Y2 N6 C60 145.3(14) . . . . ? 
Cl2 Y2 N6 C60 -85.4(14) . . . . ? 
N8 Y2 N6 C46 178.6(10) . . . . ? 
N7 Y2 N6 C46 -5.1(8) . . . . ? 
O3 Y2 N6 C46 -111.4(7) . . . . ? 
N8' Y2 N6 C46 -176.7(8) . . . . ? 
O4 Y2 N6 C46 149.2(6) . . . . ? 
N5 Y2 N6 C46 -51.9(6) . . . . ? 
Cl2 Y2 N6 C46 77.5(6) . . . . ? 
N8 Y2 N7 C56 109(2) . . . . ? 
N6 Y2 N7 C56 -58.7(8) . . . . ? 
O3 Y2 N7 C56 66.7(7) . . . . ? 
N8' Y2 N7 C56 93.2(13) . . . . ? 
O4 Y2 N7 C56 134.1(7) . . . . ? 
N5 Y2 N7 C56 -9.6(6) . . . . ? 
Cl2 Y2 N7 C56 -139.5(7) . . . . ? 
N8 Y2 N7 C59 -58(3) . . . . ? 
N6 Y2 N7 C59 133.9(9) . . . . ? 
O3 Y2 N7 C59 -100.7(9) . . . . ? 
N8' Y2 N7 C59 -74.2(16) . . . . ? 
O4 Y2 N7 C59 -33.2(9) . . . . ? 
N5 Y2 N7 C59 -177.0(10) . . . . ? 
Cl2 Y2 N7 C59 53.1(9) . . . . ? 
N12 Y3 N9 C89 -148.1(6) . . . . ? 
O5 Y3 N9 C89 -76.5(6) . . . . ? 
N11 Y3 N9 C89 14.6(6) . . . . ? 
N10 Y3 N9 C89 158.9(6) . . . . ? 
O6 Y3 N9 C89 -40.1(7) . . . . ? 
Cl3 Y3 N9 C89 82.1(6) . . . . ? 
N12 Y3 N9 C70 0.6(8) . . . . ? 
O5 Y3 N9 C70 72.3(7) . . . . ? 
N11 Y3 N9 C70 163.3(7) . . . . ? 
N10 Y3 N9 C70 -52.4(7) . . . . ? 
O6 Y3 N9 C70 108.7(7) . . . . ? 
Cl3 Y3 N9 C70 -129.2(6) . . . . ? 
N12 Y3 N10 C94 11.5(9) . . . . ? 
O5 Y3 N10 C94 80.2(9) . . . . ? 
N11 Y3 N10 C94 -169.7(8) . . . . ? 
O6 Y3 N10 C94 -9.8(11) . . . . ? 
N9 Y3 N10 C94 145.7(9) . . . . ? 
Cl3 Y3 N10 C94 -89.8(9) . . . . ? 
N12 Y3 N10 C80 179.8(8) . . . . ? 
O5 Y3 N10 C80 -111.5(7) . . . . ? 
N11 Y3 N10 C80 -1.4(8) . . . . ? 
O6 Y3 N10 C80 158.6(6) . . . . ? 
N9 Y3 N10 C80 -46.0(7) . . . . ? 
Cl3 Y3 N10 C80 78.6(7) . . . . ? 
N12 Y3 N11 C90 118.3(9) . . . . ? 
O5 Y3 N11 C90 66.0(6) . . . . ? 
N10 Y3 N11 C90 -58.2(7) . . . . ? 
O6 Y3 N11 C90 133.0(6) . . . . ? 
N9 Y3 N11 C90 -11.0(5) . . . . ? 
Cl3 Y3 N11 C90 -139.3(6) . . . . ? 
N12 Y3 N11 C93 -49.8(13) . . . . ? 
O5 Y3 N11 C93 -102.1(8) . . . . ? 
N10 Y3 N11 C93 133.7(8) . . . . ? 
O6 Y3 N11 C93 -35.1(8) . . . . ? 
N9 Y3 N11 C93 -179.1(9) . . . . ? 
Cl3 Y3 N11 C93 52.6(8) . . . . ? 
O5 Y3 N12 C98 54.5(10) . . . . ? 
N11 Y3 N12 C98 1.8(16) . . . . ? 
N10 Y3 N12 C98 178.9(11) . . . . ? 
O6 Y3 N12 C98 -13.1(10) . . . . ? 
N9 Y3 N12 C98 123.0(10) . . . . ? 
Cl3 Y3 N12 C98 -98.1(10) . . . . ? 
O5 Y3 N12 C95 -131.6(9) . . . . ? 
N11 Y3 N12 C95 175.6(9) . . . . ? 
N10 Y3 N12 C95 -7.3(8) . . . . ? 
O6 Y3 N12 C95 160.8(9) . . . . ? 
N9 Y3 N12 C95 -63.2(9) . . . . ? 
Cl3 Y3 N12 C95 75.7(9) . . . . ? 
N15 Y4 N13 C123 16.7(6) . . . . ? 
O7 Y4 N13 C123 -77.4(6) . . . . ? 
N16 Y4 N13 C123 -148.7(6) . . . . ? 
N14 Y4 N13 C123 157.6(7) . . . . ? 
O8 Y4 N13 C123 -42.9(7) . . . . ? 
Cl4 Y4 N13 C123 83.3(6) . . . . ? 
N15 Y4 N13 C104 169.1(7) . . . . ? 
O7 Y4 N13 C104 75.0(6) . . . . ? 
N16 Y4 N13 C104 3.7(7) . . . . ? 
N14 Y4 N13 C104 -50.1(6) . . . . ? 
O8 Y4 N13 C104 109.5(6) . . . . ? 
Cl4 Y4 N13 C104 -124.4(6) . . . . ? 
N15 Y4 N14 C128 -156.7(6) . . . . ? 
O7 Y4 N14 C128 93.0(7) . . . . ? 
N16 Y4 N14 C128 18.6(6) . . . . ? 
O8 Y4 N14 C128 3.4(9) . . . . ? 
N13 Y4 N14 C128 155.2(7) . . . . ? 
Cl4 Y4 N14 C128 -77.3(6) . . . . ? 
N15 Y4 N14 C114 5.6(8) . . . . ? 
O7 Y4 N14 C114 -104.7(7) . . . . ? 
N16 Y4 N14 C114 -179.1(8) . . . . ? 
O8 Y4 N14 C114 165.8(6) . . . . ? 
N13 Y4 N14 C114 -42.5(7) . . . . ? 
Cl4 Y4 N14 C114 85.0(7) . . . . ? 
O7 Y4 N15 C124 58.3(7) . . . . ? 
N16 Y4 N15 C124 127.9(9) . . . . ? 
N14 Y4 N15 C124 -65.7(8) . . . . ? 
O8 Y4 N15 C124 125.3(7) . . . . ? 
N13 Y4 N15 C124 -14.1(6) . . . . ? 
Cl4 Y4 N15 C124 -145.0(7) . . . . ? 
O7 Y4 N15 C127 -106.8(9) . . . . ? 
N16 Y4 N15 C127 -37.2(14) . . . . ? 
N14 Y4 N15 C127 129.2(8) . . . . ? 
O8 Y4 N15 C127 -39.9(8) . . . . ? 
N13 Y4 N15 C127 -179.2(9) . . . . ? 
Cl4 Y4 N15 C127 49.9(8) . . . . ? 
N15 Y4 N16 C132 -4.6(17) . . . . ? 
O7 Y4 N16 C132 65.2(11) . . . . ? 
N14 Y4 N16 C132 -173.3(12) . . . . ? 
O8 Y4 N16 C132 -1.9(11) . . . . ? 
N13 Y4 N16 C132 130.1(11) . . . . ? 
Cl4 Y4 N16 C132 -90.2(11) . . . . ? 
N15 Y4 N16 C129 153.0(8) . . . . ? 
O7 Y4 N16 C129 -137.2(6) . . . . ? 
N14 Y4 N16 C129 -15.7(6) . . . . ? 
O8 Y4 N16 C129 155.7(6) . . . . ? 
N13 Y4 N16 C129 -72.3(7) . . . . ? 
Cl4 Y4 N16 C129 67.3(6) . . . . ? 
N4 Y1 O1 C32 -110.5(6) . . . . ? 
N3 Y1 O1 C32 54.6(6) . . . . ? 
N2 Y1 O1 C32 -172.7(6) . . . . ? 
O2 Y1 O1 C32 -29.0(6) . . . . ? 
N1 Y1 O1 C32 124.3(6) . . . . ? 
Cl1 Y1 O1 C32 -17.5(8) . . . . ? 
N4 Y1 O1 C31 27.1(6) . . . . ? 
N3 Y1 O1 C31 -167.8(6) . . . . ? 
N2 Y1 O1 C31 -35.1(7) . . . . ? 
O2 Y1 O1 C31 108.6(6) . . . . ? 
N1 Y1 O1 C31 -98.1(6) . . . . ? 
Cl1 Y1 O1 C31 120.1(6) . . . . ? 
N4 Y1 O2 C34 -66.0(8) . . . . ? 
O1 Y1 O2 C34 -155.2(8) . . . . ? 
N3 Y1 O2 C34 118.0(8) . . . . ? 
N2 Y1 O2 C34 -47.1(9) . . . . ? 
N1 Y1 O2 C34 167.1(7) . . . . ? 
Cl1 Y1 O2 C34 30.0(7) . . . . ? 
N4 Y1 O2 C33 90.3(6) . . . . ? 
O1 Y1 O2 C33 1.1(6) . . . . ? 
N3 Y1 O2 C33 -85.6(6) . . . . ? 
N2 Y1 O2 C33 109.3(7) . . . . ? 
N1 Y1 O2 C33 -36.5(7) . . . . ? 
Cl1 Y1 O2 C33 -173.7(6) . . . . ? 
N8 Y2 O3 C65 33.3(9) . . . . ? 
N7 Y2 O3 C65 -158.3(7) . . . . ? 
N6 Y2 O3 C65 -30.2(8) . . . . ? 
N8' Y2 O3 C65 29.2(7) . . . . ? 
O4 Y2 O3 C65 116.8(7) . . . . ? 
N5 Y2 O3 C65 -89.3(7) . . . . ? 
Cl2 Y2 O3 C65 130.5(6) . . . . ? 
N8 Y2 O3 C66 -112.2(8) . . . . ? 
N7 Y2 O3 C66 56.3(6) . . . . ? 
N6 Y2 O3 C66 -175.6(6) . . . . ? 
N8' Y2 O3 C66 -116.2(7) . . . . ? 
O4 Y2 O3 C66 -28.6(6) . . . . ? 
N5 Y2 O3 C66 125.3(7) . . . . ? 
Cl2 Y2 O3 C66 -14.9(9) . . . . ? 
N8 Y2 O4 C68 -78.5(11) . . . . ? 
N7 Y2 O4 C68 108.7(9) . . . . ? 
N6 Y2 O4 C68 -50.4(11) . . . . ? 
O3 Y2 O4 C68 -165.5(10) . . . . ? 
N8' Y2 O4 C68 -82.3(9) . . . . ? 
N5 Y2 O4 C68 158.3(8) . . . . ? 
Cl2 Y2 O4 C68 20.8(9) . . . . ? 
N8 Y2 O4 C67 87.7(10) . . . . ? 
N7 Y2 O4 C67 -85.2(8) . . . . ? 
N6 Y2 O4 C67 115.8(8) . . . . ? 
O3 Y2 O4 C67 0.7(7) . . . . ? 
N8' Y2 O4 C67 83.9(8) . . . . ? 
N5 Y2 O4 C67 -35.5(9) . . . . ? 
Cl2 Y2 O4 C67 -173.0(7) . . . . ? 
N12 Y3 O5 C99 32.1(7) . . . . ? 
N11 Y3 O5 C99 -162.8(7) . . . . ? 
N10 Y3 O5 C99 -29.3(8) . . . . ? 
O6 Y3 O5 C99 113.1(7) . . . . ? 
N9 Y3 O5 C99 -94.4(7) . . . . ? 
Cl3 Y3 O5 C99 128.2(7) . . . . ? 
N12 Y3 O5 C100 -116.9(7) . . . . ? 
N11 Y3 O5 C100 48.2(7) . . . . ? 
N10 Y3 O5 C100 -178.3(6) . . . . ? 
O6 Y3 O5 C100 -35.9(6) . . . . ? 
N9 Y3 O5 C100 116.5(7) . . . . ? 
Cl3 Y3 O5 C100 -20.8(9) . . . . ? 
N12 Y3 O6 C101 88.3(7) . . . . ? 
O5 Y3 O6 C101 1.7(7) . . . . ? 
N11 Y3 O6 C101 -86.9(7) . . . . ? 
N10 Y3 O6 C101 108.5(8) . . . . ? 
N9 Y3 O6 C101 -37.3(8) . . . . ? 
Cl3 Y3 O6 C101 -171.5(7) . . . . ? 
N12 Y3 O6 C102 -74.4(8) . . . . ? 
O5 Y3 O6 C102 -161.1(8) . . . . ? 
N11 Y3 O6 C102 110.4(8) . . . . ? 
N10 Y3 O6 C102 -54.2(9) . . . . ? 
N9 Y3 O6 C102 160.0(7) . . . . ? 
Cl3 Y3 O6 C102 25.8(7) . . . . ? 
N15 Y4 O7 C134 53.6(7) . . . . ? 
N16 Y4 O7 C134 -108.4(7) . . . . ? 
N14 Y4 O7 C134 -174.0(7) . . . . ? 
O8 Y4 O7 C134 -31.2(7) . . . . ? 
N13 Y4 O7 C134 121.3(8) . . . . ? 
Cl4 Y4 O7 C134 -17.8(10) . . . . ? 
N15 Y4 O7 C133 -169.7(7) . . . . ? 
N16 Y4 O7 C133 28.3(7) . . . . ? 
N14 Y4 O7 C133 -37.2(8) . . . . ? 
O8 Y4 O7 C133 105.6(8) . . . . ? 
N13 Y4 O7 C133 -102.0(7) . . . . ? 
Cl4 Y4 O7 C133 118.9(7) . . . . ? 
N15 Y4 O8 C136 110.5(8) . . . . ? 
O7 Y4 O8 C136 -160.1(8) . . . . ? 
N16 Y4 O8 C136 -68.6(8) . . . . ? 
N14 Y4 O8 C136 -54.0(9) . . . . ? 
N13 Y4 O8 C136 163.9(7) . . . . ? 
Cl4 Y4 O8 C136 25.4(8) . . . . ? 
N15 Y4 O8 C135 -83.9(7) . . . . ? 
O7 Y4 O8 C135 5.6(6) . . . . ? 
N16 Y4 O8 C135 97.0(7) . . . . ? 
N14 Y4 O8 C135 111.7(7) . . . . ? 
N13 Y4 O8 C135 -30.4(8) . . . . ? 
Cl4 Y4 O8 C135 -168.9(6) . . . . ? 
C6 C1 C2 C3 2.0(13) . . . . ? 
C11 C1 C2 C3 -179.1(8) . . . . ? 
C6 C1 C2 N1 -176.0(8) . . . . ? 
C11 C1 C2 N1 2.9(13) . . . . ? 
C21 N1 C2 C3 49.9(12) . . . . ? 
Y1 N1 C2 C3 -95.4(9) . . . . ? 
C21 N1 C2 C1 -132.1(9) . . . . ? 
Y1 N1 C2 C1 82.6(9) . . . . ? 
C1 C2 C3 C4 -5.6(14) . . . . ? 
N1 C2 C3 C4 172.4(9) . . . . ? 
C2 C3 C4 C5 6.5(14) . . . . ? 
C3 C4 C5 C6 -3.8(14) . . . . ? 
C3 C4 C5 C10 -180.0(9) . . . . ? 
C2 C1 C6 C5 0.6(14) . . . . ? 
C11 C1 C6 C5 -178.2(8) . . . . ? 
C2 C1 C6 C7 -179.2(8) . . . . ? 
C11 C1 C6 C7 2.0(14) . . . . ? 
C4 C5 C6 C1 0.3(14) . . . . ? 
C10 C5 C6 C1 176.4(9) . . . . ? 
C4 C5 C6 C7 -179.9(8) . . . . ? 
C10 C5 C6 C7 -3.8(13) . . . . ? 
C1 C6 C7 C8 -179.3(9) . . . . ? 
C5 C6 C7 C8 0.9(13) . . . . ? 
C6 C7 C8 C9 2.2(15) . . . . ? 
C7 C8 C9 C10 -2.3(15) . . . . ? 
C8 C9 C10 C5 -0.6(15) . . . . ? 
C6 C5 C10 C9 3.8(14) . . . . ? 
C4 C5 C10 C9 179.9(9) . . . . ? 
C6 C1 C11 C12 111.3(11) . . . . ? 
C2 C1 C11 C12 -67.5(13) . . . . ? 
C6 C1 C11 C16 -67.2(13) . . . . ? 
C2 C1 C11 C16 113.9(10) . . . . ? 
C16 C11 C12 C13 6.3(14) . . . . ? 
C1 C11 C12 C13 -172.2(9) . . . . ? 
C16 C11 C12 N2 -176.7(8) . . . . ? 
C1 C11 C12 N2 4.7(13) . . . . ? 
C26 N2 C12 C11 -118.7(10) . . . . ? 
Y1 N2 C12 C11 83.9(9) . . . . ? 
C26 N2 C12 C13 58.2(12) . . . . ? 
Y1 N2 C12 C13 -99.1(9) . . . . ? 
C11 C12 C13 C14 -1.0(15) . . . . ? 
N2 C12 C13 C14 -177.9(9) . . . . ? 
C12 C13 C14 C15 -2.8(16) . . . . ? 
C13 C14 C15 C20 -178.2(10) . . . . ? 
C13 C14 C15 C16 1.1(15) . . . . ? 
C20 C15 C16 C17 -0.9(13) . . . . ? 
C14 C15 C16 C17 179.8(9) . . . . ? 
C20 C15 C16 C11 -176.5(9) . . . . ? 
C14 C15 C16 C11 4.2(13) . . . . ? 
C12 C11 C16 C17 176.7(9) . . . . ? 
C1 C11 C16 C17 -4.8(14) . . . . ? 
C12 C11 C16 C15 -7.8(13) . . . . ? 
C1 C11 C16 C15 170.8(9) . . . . ? 
C15 C16 C17 C18 0.2(15) . . . . ? 
C11 C16 C17 C18 175.7(10) . . . . ? 
C16 C17 C18 C19 -1.0(18) . . . . ? 
C17 C18 C19 C20 3(2) . . . . ? 
C18 C19 C20 C15 -3.3(19) . . . . ? 
C16 C15 C20 C19 2.5(15) . . . . ? 
C14 C15 C20 C19 -178.3(10) . . . . ? 
C2 N1 C21 C22 -166.2(8) . . . . ? 
Y1 N1 C21 C22 -18.4(11) . . . . ? 
C25 N3 C22 C21 -177.5(8) . . . . ? 
Y1 N3 C22 C21 18.2(10) . . . . ? 
C25 N3 C22 C23 -2.1(11) . . . . ? 
Y1 N3 C22 C23 -166.4(6) . . . . ? 
N1 C21 C22 N3 0.2(13) . . . . ? 
N1 C21 C22 C23 -174.0(9) . . . . ? 
N3 C22 C23 C24 2.4(11) . . . . ? 
C21 C22 C23 C24 177.1(9) . . . . ? 
C22 C23 C24 C25 -1.7(11) . . . . ? 
C22 N3 C25 C24 1.0(11) . . . . ? 
Y1 N3 C25 C24 159.1(8) . . . . ? 
C23 C24 C25 N3 0.5(12) . . . . ? 
C12 N2 C26 C27 -174.2(8) . . . . ? 
Y1 N2 C26 C27 -15.6(12) . . . . ? 
C30 N4 C27 C28 -4.5(11) . . . . ? 
Y1 N4 C27 C28 -173.8(7) . . . . ? 
C30 N4 C27 C26 -178.5(8) . . . . ? 
Y1 N4 C27 C26 12.2(11) . . . . ? 
N2 C26 C27 N4 2.5(14) . . . . ? 
N2 C26 C27 C28 -170.6(10) . . . . ? 
N4 C27 C28 C29 4.4(12) . . . . ? 
C26 C27 C28 C29 177.5(10) . . . . ? 
C27 C28 C29 C30 -2.2(11) . . . . ? 
C28 C29 C30 N4 -0.3(12) . . . . ? 
C27 N4 C30 C29 2.8(10) . . . . ? 
Y1 N4 C30 C29 168.0(7) . . . . ? 
C31 O1 C32 C33 -86.0(10) . . . . ? 
Y1 O1 C32 C33 54.9(9) . . . . ? 
O1 C32 C33 O2 -50.9(10) . . . . ? 
C34 O2 C33 C32 -175.4(8) . . . . ? 
Y1 O2 C33 C32 25.1(10) . . . . ? 
C40 C35 C36 N5 -170.5(9) . . . . ? 
C45 C35 C36 N5 12.3(14) . . . . ? 
C40 C35 C36 C37 0.7(14) . . . . ? 
C45 C35 C36 C37 -176.5(7) . . . . ? 
C55 N5 C36 C35 -117.7(11) . . . . ? 
Y2 N5 C36 C35 70.5(12) . . . . ? 
C55 N5 C36 C37 70.9(10) . . . . ? 
Y2 N5 C36 C37 -100.9(8) . . . . ? 
C35 C36 C37 C38 3.4(13) . . . . ? 
N5 C36 C37 C38 175.6(8) . . . . ? 
C36 C37 C38 C39 -4.0(14) . . . . ? 
C37 C38 C39 C40 0.9(14) . . . . ? 
C37 C38 C39 C44 -176.7(9) . . . . ? 
C36 C35 C40 C41 179.6(9) . . . . ? 
C45 C35 C40 C41 -3.4(15) . . . . ? 
C36 C35 C40 C39 -3.9(15) . . . . ? 
C45 C35 C40 C39 173.1(9) . . . . ? 
C38 C39 C40 C35 3.2(14) . . . . ? 
C44 C39 C40 C35 -179.2(9) . . . . ? 
C38 C39 C40 C41 179.8(9) . . . . ? 
C44 C39 C40 C41 -2.6(14) . . . . ? 
C35 C40 C41 C42 -177.7(10) . . . . ? 
C39 C40 C41 C42 5.7(15) . . . . ? 
C40 C41 C42 C43 -7.1(16) . . . . ? 
C41 C42 C43 C44 5.0(18) . . . . ? 
C42 C43 C44 C39 -2.1(18) . . . . ? 
C40 C39 C44 C43 0.9(16) . . . . ? 
C38 C39 C44 C43 178.5(11) . . . . ? 
C40 C35 C45 C46 110.7(10) . . . . ? 
C36 C35 C45 C46 -72.0(12) . . . . ? 
C40 C35 C45 C50 -64.1(13) . . . . ? 
C36 C35 C45 C50 113.1(9) . . . . ? 
C50 C45 C46 C47 0.4(13) . . . . ? 
C35 C45 C46 C47 -174.4(9) . . . . ? 
C50 C45 C46 N6 -176.3(8) . . . . ? 
C35 C45 C46 N6 8.9(13) . . . . ? 
C60' N6 C46 C45 -72.1(12) . . . . ? 
C60 N6 C46 C45 -114.2(15) . . . . ? 
Y2 N6 C46 C45 82.5(9) . . . . ? 
C60' N6 C46 C47 111.1(11) . . . . ? 
C60 N6 C46 C47 69.0(16) . . . . ? 
Y2 N6 C46 C47 -94.3(9) . . . . ? 
C45 C46 C47 C48 5.3(14) . . . . ? 
N6 C46 C47 C48 -177.9(9) . . . . ? 
C46 C47 C48 C49 -5.3(15) . . . . ? 
C47 C48 C49 C54 -178.3(9) . . . . ? 
C47 C48 C49 C50 -0.1(14) . . . . ? 
C46 C45 C50 C51 176.0(8) . . . . ? 
C35 C45 C50 C51 -9.2(13) . . . . ? 
C46 C45 C50 C49 -5.8(12) . . . . ? 
C35 C45 C50 C49 169.1(8) . . . . ? 
C48 C49 C50 C51 -176.0(8) . . . . ? 
C54 C49 C50 C51 2.3(12) . . . . ? 
C48 C49 C50 C45 5.7(12) . . . . ? 
C54 C49 C50 C45 -176.0(8) . . . . ? 
C45 C50 C51 C52 180.0(8) . . . . ? 
C49 C50 C51 C52 1.7(13) . . . . ? 
C50 C51 C52 C53 -2.6(14) . . . . ? 
C51 C52 C53 C54 -0.8(15) . . . . ? 
C52 C53 C54 C49 5.0(15) . . . . ? 
C48 C49 C54 C53 172.5(9) . . . . ? 
C50 C49 C54 C53 -5.7(13) . . . . ? 
C36 N5 C55 C56 -175.5(8) . . . . ? 
Y2 N5 C55 C56 -2.8(10) . . . . ? 
C59 N7 C56 C57 -5.7(11) . . . . ? 
Y2 N7 C56 C57 -176.3(7) . . . . ? 
C59 N7 C56 C55 -177.1(8) . . . . ? 
Y2 N7 C56 C55 12.3(11) . . . . ? 
N5 C55 C56 N7 -6.1(13) . . . . ? 
N5 C55 C56 C57 -175.7(10) . . . . ? 
N7 C56 C57 C58 4.8(12) . . . . ? 
C55 C56 C57 C58 175.0(10) . . . . ? 
C56 C57 C58 C59 -1.9(12) . . . . ? 
C56 N7 C59 C58 4.3(11) . . . . ? 
Y2 N7 C59 C58 172.7(6) . . . . ? 
C57 C58 C59 N7 -1.5(12) . . . . ? 
C60' N6 C60 C61 82.4(17) . . . . ? 
C46 N6 C60 C61 -178.5(7) . . . . ? 
Y2 N6 C60 C61 -14.4(16) . . . . ? 
N6 C60 C61 C62 -177.4(17) . . . . ? 
N6 C60 C61 N8 2.5(17) . . . . ? 
N8 C61 C62 C63 0.0 . . . . ? 
C60 C61 C62 C63 179.98(12) . . . . ? 
C61 C62 C63 C64 0.0 . . . . ? 
C62 C63 C64 N8 0.0 . . . . ? 
C62 C61 N8 C64 0.0 . . . . ? 
C60 C61 N8 C64 -179.98(11) . . . . ? 
C62 C61 N8 Y2 -169.1(17) . . . . ? 
C60 C61 N8 Y2 10.9(17) . . . . ? 
C63 C64 N8 C61 0.0 . . . . ? 
C63 C64 N8 Y2 165(2) . . . . ? 
N7 Y2 N8 C61 178.1(14) . . . . ? 
N6 Y2 N8 C61 -12.3(11) . . . . ? 
O3 Y2 N8 C61 -139.5(13) . . . . ? 
N8' Y2 N8 C61 -80(6) . . . . ? 
O4 Y2 N8 C61 153.1(14) . . . . ? 
N5 Y2 N8 C61 -70.6(14) . . . . ? 
Cl2 Y2 N8 C61 68.4(13) . . . . ? 
N7 Y2 N8 C64 13(3) . . . . ? 
N6 Y2 N8 C64 -177.0(15) . . . . ? 
O3 Y2 N8 C64 55.9(13) . . . . ? 
N8' Y2 N8 C64 115(7) . . . . ? 
O4 Y2 N8 C64 -11.5(12) . . . . ? 
N5 Y2 N8 C64 124.8(12) . . . . ? 
Cl2 Y2 N8 C64 -96.2(13) . . . . ? 
C60 N6 C60' C61' -81.4(17) . . . . ? 
C46 N6 C60' C61' 178.8(6) . . . . ? 
Y2 N6 C60' C61' 22.4(10) . . . . ? 
N6 C60' C61' C62' 175.3(10) . . . . ? 
N6 C60' C61' N8' -4.6(10) . . . . ? 
N8' C61' C62' C63' 0.0 . . . . ? 
C60' C61' C62' C63' -179.97(13) . . . . ? 
C61' C62' C63' C64' 0.0 . . . . ? 
C62' C63' C64' N8' 0.0 . . . . ? 
C63' C64' N8' C61' 0.0 . . . . ? 
C63' C64' N8' Y2 -157.3(12) . . . . ? 
C62' C61' N8' C64' 0.0 . . . . ? 
C60' C61' N8' C64' 179.97(14) . . . . ? 
C62' C61' N8' Y2 165.6(7) . . . . ? 
C60' C61' N8' Y2 -14.4(7) . . . . ? 
N8 Y2 N8' C64' -75(6) . . . . ? 
N7 Y2 N8' C64' 18.5(17) . . . . ? 
N6 Y2 N8' C64' 174.3(9) . . . . ? 
O3 Y2 N8' C64' 45.1(8) . . . . ? 
O4 Y2 N8' C64' -22.3(8) . . . . ? 
N5 Y2 N8' C64' 114.1(8) . . . . ? 
Cl2 Y2 N8' C64' -107.0(7) . . . . ? 
N8 Y2 N8' C61' 128(6) . . . . ? 
N7 Y2 N8' C61' -138.9(10) . . . . ? 
N6 Y2 N8' C61' 16.9(5) . . . . ? 
O3 Y2 N8' C61' -112.3(6) . . . . ? 
O4 Y2 N8' C61' -179.7(6) . . . . ? 
N5 Y2 N8' C61' -43.3(7) . . . . ? 
Cl2 Y2 N8' C61' 95.6(6) . . . . ? 
C65 O3 C66 C67 -96.1(10) . . . . ? 
Y2 O3 C66 C67 52.8(9) . . . . ? 
C68 O4 C67 C66 -165.0(10) . . . . ? 
Y2 O4 C67 C66 26.2(11) . . . . ? 
O3 C66 C67 O4 -50.1(11) . . . . ? 
C74 C69 C70 N9 -166.2(8) . . . . ? 
C79 C69 C70 N9 15.4(13) . . . . ? 
C74 C69 C70 C71 7.1(12) . . . . ? 
C79 C69 C70 C71 -171.3(8) . . . . ? 
C89 N9 C70 C69 -138.0(9) . . . . ? 
Y3 N9 C70 C69 74.4(9) . . . . ? 
C89 N9 C70 C71 49.0(12) . . . . ? 
Y3 N9 C70 C71 -98.5(9) . . . . ? 
C69 C70 C71 C72 -2.7(14) . . . . ? 
N9 C70 C71 C72 170.6(9) . . . . ? 
C70 C71 C72 C73 -2.6(16) . . . . ? 
C71 C72 C73 C78 -170.2(10) . . . . ? 
C71 C72 C73 C74 3.4(16) . . . . ? 
C72 C73 C74 C75 -176.4(10) . . . . ? 
C78 C73 C74 C75 -2.5(14) . . . . ? 
C72 C73 C74 C69 0.9(14) . . . . ? 
C78 C73 C74 C69 174.8(9) . . . . ? 
C70 C69 C74 C75 170.8(9) . . . . ? 
C79 C69 C74 C75 -10.7(13) . . . . ? 
C70 C69 C74 C73 -6.3(13) . . . . ? 
C79 C69 C74 C73 172.1(8) . . . . ? 
C73 C74 C75 C76 0.2(15) . . . . ? 
C69 C74 C75 C76 -176.9(9) . . . . ? 
C74 C75 C76 C77 3.7(18) . . . . ? 
C75 C76 C77 C78 -4.8(19) . . . . ? 
C72 C73 C78 C77 175.1(11) . . . . ? 
C74 C73 C78 C77 1.3(17) . . . . ? 
C76 C77 C78 C73 2.1(18) . . . . ? 
C70 C69 C79 C80 -74.0(12) . . . . ? 
C74 C69 C79 C80 107.5(10) . . . . ? 
C70 C69 C79 C84 106.3(10) . . . . ? 
C74 C69 C79 C84 -72.2(11) . . . . ? 
C84 C79 C80 C81 -0.2(15) . . . . ? 
C69 C79 C80 C81 -180.0(9) . . . . ? 
C84 C79 C80 N10 -176.2(8) . . . . ? 
C69 C79 C80 N10 4.0(14) . . . . ? 
C94 N10 C80 C81 71.8(13) . . . . ? 
Y3 N10 C80 C81 -96.4(10) . . . . ? 
C94 N10 C80 C79 -112.1(12) . . . . ? 
Y3 N10 C80 C79 79.8(10) . . . . ? 
C79 C80 C81 C82 0.6(15) . . . . ? 
N10 C80 C81 C82 176.5(9) . . . . ? 
C80 C81 C82 C83 -0.8(15) . . . . ? 
C81 C82 C83 C88 -179.8(9) . . . . ? 
C81 C82 C83 C84 0.6(14) . . . . ? 
C88 C83 C84 C85 2.9(13) . . . . ? 
C82 C83 C84 C85 -177.5(9) . . . . ? 
C88 C83 C84 C79 -179.8(9) . . . . ? 
C82 C83 C84 C79 -0.2(13) . . . . ? 
C80 C79 C84 C85 177.1(9) . . . . ? 
C69 C79 C84 C85 -3.1(13) . . . . ? 
C80 C79 C84 C83 0.0(13) . . . . ? 
C69 C79 C84 C83 179.7(8) . . . . ? 
C83 C84 C85 C86 -2.8(14) . . . . ? 
C79 C84 C85 C86 179.9(9) . . . . ? 
C84 C85 C86 C87 0.2(16) . . . . ? 
C85 C86 C87 C88 2.5(16) . . . . ? 
C86 C87 C88 C83 -2.5(16) . . . . ? 
C84 C83 C88 C87 -0.3(15) . . . . ? 
C82 C83 C88 C87 -179.9(10) . . . . ? 
C70 N9 C89 C90 -166.8(8) . . . . ? 
Y3 N9 C89 C90 -17.1(10) . . . . ? 
C93 N11 C90 C89 178.3(8) . . . . ? 
Y3 N11 C90 C89 7.2(10) . . . . ? 
C93 N11 C90 C91 -1.8(10) . . . . ? 
Y3 N11 C90 C91 -172.9(6) . . . . ? 
N9 C89 C90 N11 7.3(13) . . . . ? 
N9 C89 C90 C91 -172.6(9) . . . . ? 
N11 C90 C91 C92 -0.8(10) . . . . ? 
C89 C90 C91 C92 179.1(9) . . . . ? 
C90 C91 C92 C93 3.0(11) . . . . ? 
C90 N11 C93 C92 3.8(10) . . . . ? 
Y3 N11 C93 C92 172.4(6) . . . . ? 
C91 C92 C93 N11 -4.3(11) . . . . ? 
C80 N10 C94 C95 175.8(11) . . . . ? 
Y3 N10 C94 C95 -14.7(16) . . . . ? 
C98 N12 C95 C96 10.3(16) . . . . ? 
Y3 N12 C95 C96 -165.5(11) . . . . ? 
C98 N12 C95 C94 179.4(11) . . . . ? 
Y3 N12 C95 C94 3.5(15) . . . . ? 
N10 C94 C95 N12 8(2) . . . . ? 
N10 C94 C95 C96 174.3(16) . . . . ? 
N12 C95 C96 C97 -13.1(19) . . . . ? 
C94 C95 C96 C97 -179.8(15) . . . . ? 
C95 C96 C97 C98 10.1(18) . . . . ? 
C95 N12 C98 C97 -3.4(14) . . . . ? 
Y3 N12 C98 C97 170.9(9) . . . . ? 
C96 C97 C98 N12 -4.4(16) . . . . ? 
C99 O5 C100 C101 -90.2(10) . . . . ? 
Y3 O5 C100 C101 62.7(9) . . . . ? 
C102 O6 C101 C100 -166.0(9) . . . . ? 
Y3 O6 C101 C100 29.2(10) . . . . ? 
O5 C100 C101 O6 -57.6(10) . . . . ? 
C108 C103 C104 C105 7.8(15) . . . . ? 
C113 C103 C104 C105 -170.5(8) . . . . ? 
C108 C103 C104 N13 -168.6(8) . . . . ? 
C113 C103 C104 N13 13.2(14) . . . . ? 
C123 N13 C104 C103 -133.5(10) . . . . ? 
Y4 N13 C104 C103 75.1(11) . . . . ? 
C123 N13 C104 C105 50.0(12) . . . . ? 
Y4 N13 C104 C105 -101.4(8) . . . . ? 
C103 C104 C105 C106 -3.9(15) . . . . ? 
N13 C104 C105 C106 172.6(8) . . . . ? 
C104 C105 C106 C107 -4.0(14) . . . . ? 
C105 C106 C107 C112 -174.1(9) . . . . ? 
C105 C106 C107 C108 7.7(14) . . . . ? 
C104 C103 C108 C109 169.7(9) . . . . ? 
C113 C103 C108 C109 -12.0(13) . . . . ? 
C104 C103 C108 C107 -3.7(14) . . . . ? 
C113 C103 C108 C107 174.6(7) . . . . ? 
C106 C107 C108 C103 -3.9(12) . . . . ? 
C112 C107 C108 C103 177.7(8) . . . . ? 
C106 C107 C108 C109 -177.7(8) . . . . ? 
C112 C107 C108 C109 4.0(12) . . . . ? 
C103 C108 C109 C110 -177.9(9) . . . . ? 
C107 C108 C109 C110 -4.6(13) . . . . ? 
C108 C109 C110 C111 2.0(15) . . . . ? 
C109 C110 C111 C112 1.3(16) . . . . ? 
C110 C111 C112 C107 -1.9(16) . . . . ? 
C106 C107 C112 C111 -179.0(10) . . . . ? 
C108 C107 C112 C111 -0.8(14) . . . . ? 
C104 C103 C113 C114 -73.3(13) . . . . ? 
C108 C103 C113 C114 108.4(10) . . . . ? 
C104 C103 C113 C118 108.2(11) . . . . ? 
C108 C103 C113 C118 -70.1(12) . . . . ? 
C118 C113 C114 N14 -177.5(8) . . . . ? 
C103 C113 C114 N14 3.9(14) . . . . ? 
C118 C113 C114 C115 1.8(14) . . . . ? 
C103 C113 C114 C115 -176.8(8) . . . . ? 
C128 N14 C114 C113 -122.3(10) . . . . ? 
Y4 N14 C114 C113 76.4(11) . . . . ? 
C128 N14 C114 C115 58.4(12) . . . . ? 
Y4 N14 C114 C115 -102.9(9) . . . . ? 
C113 C114 C115 C116 0.0(15) . . . . ? 
N14 C114 C115 C116 179.4(10) . . . . ? 
C114 C115 C116 C117 -4.1(17) . . . . ? 
C115 C116 C117 C118 6.1(16) . . . . ? 
C115 C116 C117 C122 -178.1(10) . . . . ? 
C114 C113 C118 C117 0.4(14) . . . . ? 
C103 C113 C118 C117 178.9(9) . . . . ? 
C114 C113 C118 C119 178.0(8) . . . . ? 
C103 C113 C118 C119 -3.4(14) . . . . ? 
C116 C117 C118 C113 -4.2(14) . . . . ? 
C122 C117 C118 C113 179.7(9) . . . . ? 
C116 C117 C118 C119 178.1(9) . . . . ? 
C122 C117 C118 C119 1.9(13) . . . . ? 
C113 C118 C119 C120 178.8(10) . . . . ? 
C117 C118 C119 C120 -3.4(15) . . . . ? 
C118 C119 C120 C121 1.0(18) . . . . ? 
C119 C120 C121 C122 3(2) . . . . ? 
C120 C121 C122 C117 -4.7(19) . . . . ? 
C118 C117 C122 C121 2.0(16) . . . . ? 
C116 C117 C122 C121 -173.8(11) . . . . ? 
C104 N13 C123 C124 -170.4(8) . . . . ? 
Y4 N13 C123 C124 -17.7(10) . . . . ? 
C127 N15 C124 C125 5.4(11) . . . . ? 
Y4 N15 C124 C125 -163.8(7) . . . . ? 
C127 N15 C124 C123 -179.8(8) . . . . ? 
Y4 N15 C124 C123 11.0(12) . . . . ? 
N13 C123 C124 N15 5.1(13) . . . . ? 
N13 C123 C124 C125 178.8(10) . . . . ? 
N15 C124 C125 C126 -5.8(12) . . . . ? 
C123 C124 C125 C126 180.0(10) . . . . ? 
C124 C125 C126 C127 3.8(12) . . . . ? 
C125 C126 C127 N15 -0.6(11) . . . . ? 
C124 N15 C127 C126 -2.9(10) . . . . ? 
Y4 N15 C127 C126 163.4(7) . . . . ? 
C114 N14 C128 C129 178.1(9) . . . . ? 
Y4 N14 C128 C129 -18.7(11) . . . . ? 
N14 C128 C129 C130 178.2(10) . . . . ? 
N14 C128 C129 N16 3.1(15) . . . . ? 
C132 N16 C129 C128 179.6(9) . . . . ? 
Y4 N16 C129 C128 14.0(11) . . . . ? 
C132 N16 C129 C130 3.5(11) . . . . ? 
Y4 N16 C129 C130 -162.1(6) . . . . ? 
C128 C129 C130 C131 -178.9(10) . . . . ? 
N16 C129 C130 C131 -3.2(11) . . . . ? 
C129 C130 C131 C132 1.7(11) . . . . ? 
C129 N16 C132 C131 -2.5(11) . . . . ? 
Y4 N16 C132 C131 155.4(8) . . . . ? 
C130 C131 C132 N16 0.5(12) . . . . ? 
C133 O7 C134 C135 -83.4(12) . . . . ? 
Y4 O7 C134 C135 55.9(11) . . . . ? 
O7 C134 C135 O8 -47.6(13) . . . . ? 
C136 O8 C135 C134 -172.7(10) . . . . ? 
Y4 O8 C135 C134 19.7(11) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.998 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.998 
_refine_diff_density_max    1.350 
_refine_diff_density_min   -0.691 
_refine_diff_density_rms    0.115 

#===END
  
data_compound3 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C47 H54 N5 O Si2 Sm' 
_chemical_formula_sum 
 'C47 H54 N5 O Si2 Sm' 
_chemical_formula_weight          911.48 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Sm'  'Sm'  -0.1638   3.4418 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Si'  'Si'   0.0817   0.0704 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            orthorhombic 
_symmetry_space_group_name_H-M    'P 21 21 21' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x+1/2, -y, z+1/2' 
 '-x, y+1/2, -z+1/2' 
 'x+1/2, -y+1/2, -z' 
  
_cell_length_a                    11.236(2) 
_cell_length_b                    17.360(4) 
_cell_length_c                    68.727(14) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      13406(5) 
_cell_formula_units_Z             12 
_cell_measurement_temperature     113(2) 
_cell_measurement_reflns_used     9706 
_cell_measurement_theta_min       2.5 
_cell_measurement_theta_max       20.9 
  
_exptl_crystal_description        prism 
_exptl_crystal_colour             colorless 
_exptl_crystal_size_max           0.22 
_exptl_crystal_size_mid           0.18 
_exptl_crystal_size_min           0.16 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.355 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              5628 
_exptl_absorpt_coefficient_mu     1.408 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.7471 
_exptl_absorpt_correction_T_max   0.8061 
_exptl_absorpt_process_details    crystalclear 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       113(2) 
_diffrn_radiation_wavelength      0.71073 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'rotating anode' 
_diffrn_radiation_monochromator   confocal 
_diffrn_measurement_device_type   'Rigaku Saturn' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  7.31 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             62550 
_diffrn_reflns_av_R_equivalents   0.0554 
_diffrn_reflns_av_sigmaI/netI     0.1044 
_diffrn_reflns_limit_h_min        -13 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -21 
_diffrn_reflns_limit_k_max        18 
_diffrn_reflns_limit_l_min        -84 
_diffrn_reflns_limit_l_max        84 
_diffrn_reflns_theta_min          1.67 
_diffrn_reflns_theta_max          26.02 
_reflns_number_total              20400 
_reflns_number_gt                 15918 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        CrystalClear 
_computing_cell_refinement        CrystalClear 
_computing_data_reduction         CrystalClear 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     'Bruker SHELXTL' 
_computing_publication_material   'CrystalStructure 3.7.0' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0230P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -0.016(7) 
_refine_ls_number_reflns          20400 
_refine_ls_number_parameters      1573 
_refine_ls_number_restraints      84 
_refine_ls_R_factor_all           0.0622 
_refine_ls_R_factor_gt            0.0483 
_refine_ls_wR_factor_ref          0.0763 
_refine_ls_wR_factor_gt           0.0728 
_refine_ls_goodness_of_fit_ref    1.005 
_refine_ls_restrained_S_all       1.004 
_refine_ls_shift/su_max           0.004 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Sm1 Sm 0.80464(2) 0.083155(18) 0.569159(4) 0.02068(9) Uani 1 1 d . . . 
Sm2 Sm 0.22880(3) 0.568362(17) 0.261798(4) 0.02076(9) Uani 1 1 d . . . 
Sm3 Sm 0.72586(3) 0.902424(17) 0.402307(4) 0.02122(9) Uani 1 1 d . . . 
Si1 Si 0.77408(17) 0.25922(10) 0.59195(2) 0.0317(5) Uani 1 1 d . . . 
Si2 Si 0.56452(16) 0.14732(11) 0.59317(3) 0.0340(5) Uani 1 1 d . . . 
Si3 Si 0.29938(18) 0.74030(10) 0.24007(3) 0.0400(5) Uani 1 1 d . . . 
Si4 Si 0.47641(16) 0.60914(12) 0.23630(3) 0.0455(6) Uani 1 1 d . . . 
Si5 Si 0.82464(16) 0.73602(11) 0.42370(3) 0.0326(5) Uani 1 1 d . . . 
Si6 Si 1.00162(15) 0.86746(11) 0.42147(3) 0.0293(5) Uani 1 1 d . . . 
N1 N 1.0224(4) 0.0672(3) 0.56094(6) 0.0186(12) Uani 1 1 d . . . 
N2 N 0.8212(4) 0.1471(3) 0.53658(7) 0.0240(13) Uani 1 1 d . . . 
N3 N 0.9297(4) 0.0738(3) 0.59845(7) 0.0228(12) Uani 1 1 d . . . 
N4 N 0.6394(4) 0.0457(3) 0.54725(7) 0.0266(13) Uani 1 1 d . . . 
N5 N 0.7043(4) 0.1758(2) 0.58590(6) 0.0263(13) Uani 1 1 d . . . 
N6 N 0.2044(4) 0.6377(2) 0.29321(6) 0.0208(12) Uani 1 1 d . . . 
N7 N 0.0065(4) 0.5557(3) 0.26801(7) 0.0212(12) Uani 1 1 d . . . 
N8 N 0.3899(4) 0.5343(3) 0.28505(7) 0.0245(13) Uani 1 1 d . . . 
N9 N 0.1096(4) 0.5614(3) 0.23162(7) 0.0276(13) Uani 1 1 d . . . 
N10 N 0.3478(4) 0.6494(2) 0.24443(7) 0.0260(13) Uani 1 1 d . . . 
N11 N 0.5012(4) 0.9070(3) 0.39739(7) 0.0226(12) Uani 1 1 d . . . 
N12 N 0.7032(4) 0.8358(3) 0.37023(7) 0.0269(13) Uani 1 1 d . . . 
N13 N 0.6167(4) 0.9037(3) 0.43339(7) 0.0254(13) Uani 1 1 d . . . 
N14 N 0.8625(4) 0.9545(3) 0.37740(7) 0.0292(13) Uani 1 1 d . . . 
N15 N 0.8640(4) 0.8277(2) 0.41792(6) 0.0196(12) Uani 1 1 d . . . 
O1 O 0.8127(3) -0.0566(2) 0.57242(5) 0.0267(10) Uani 1 1 d . . . 
O2 O 0.2079(3) 0.42864(19) 0.26163(5) 0.0280(10) Uani 1 1 d . . . 
O3 O 0.7005(3) 1.0403(2) 0.40730(5) 0.0282(10) Uani 1 1 d . . . 
C1 C 1.0617(4) 0.0996(4) 0.52726(8) 0.0157(15) Uani 1 1 d . . . 
C2 C 1.0664(5) 0.0474(4) 0.54226(9) 0.0195(15) Uani 1 1 d . . . 
C3 C 1.1100(5) -0.0275(4) 0.53917(9) 0.0273(17) Uani 1 1 d . . . 
H3 H 1.1141 -0.0624 0.5498 0.033 Uiso 1 1 calc R . . 
C4 C 1.1466(5) -0.0511(4) 0.52124(9) 0.0297(17) Uani 1 1 d . . . 
H4 H 1.1775 -0.1016 0.5196 0.036 Uiso 1 1 calc R . . 
C5 C 1.1386(5) -0.0006(4) 0.50509(9) 0.0268(16) Uani 1 1 d . . . 
C6 C 1.0957(4) 0.0757(4) 0.50819(8) 0.0198(15) Uani 1 1 d . . . 
C7 C 1.0836(5) 0.1244(4) 0.49170(9) 0.0240(16) Uani 1 1 d . . . 
H7 H 1.0554 0.1756 0.4934 0.029 Uiso 1 1 calc R . . 
C8 C 1.1119(5) 0.0990(4) 0.47347(9) 0.0278(16) Uani 1 1 d . . . 
H8 H 1.1014 0.1323 0.4626 0.033 Uiso 1 1 calc R . . 
C9 C 1.1561(5) 0.0246(4) 0.47055(10) 0.0347(18) Uani 1 1 d . . . 
H9 H 1.1763 0.0077 0.4578 0.042 Uiso 1 1 calc R . . 
C10 C 1.1699(5) -0.0237(4) 0.48614(10) 0.0368(18) Uani 1 1 d . . . 
H10 H 1.2013 -0.0738 0.4841 0.044 Uiso 1 1 calc R . . 
C11 C 1.0264(5) 0.1819(3) 0.53004(8) 0.0190(15) Uani 1 1 d . . . 
C12 C 0.9089(5) 0.2038(4) 0.53230(8) 0.0221(16) Uani 1 1 d . . . 
C13 C 0.8767(5) 0.2827(4) 0.53166(8) 0.0252(16) Uani 1 1 d . . . 
H13 H 0.7952 0.2969 0.5325 0.030 Uiso 1 1 calc R . . 
C14 C 0.9608(6) 0.3382(4) 0.52981(8) 0.0272(16) Uani 1 1 d . . . 
H14 H 0.9373 0.3907 0.5293 0.033 Uiso 1 1 calc R . . 
C15 C 1.0816(6) 0.3194(4) 0.52863(8) 0.0246(16) Uani 1 1 d . . . 
C16 C 1.1153(5) 0.2403(4) 0.52849(8) 0.0181(15) Uani 1 1 d . . . 
C17 C 1.2395(5) 0.2224(3) 0.52775(7) 0.0227(15) Uani 1 1 d . . . 
H17 H 1.2639 0.1700 0.5280 0.027 Uiso 1 1 calc R . . 
C18 C 1.3229(6) 0.2782(4) 0.52673(8) 0.0309(17) Uani 1 1 d . . . 
H18 H 1.4048 0.2647 0.5264 0.037 Uiso 1 1 calc R . . 
C19 C 1.2892(6) 0.3567(4) 0.52623(8) 0.0307(17) Uani 1 1 d . . . 
H19 H 1.3485 0.3955 0.5252 0.037 Uiso 1 1 calc R . . 
C20 C 1.1725(6) 0.3771(4) 0.52721(8) 0.0282(17) Uani 1 1 d . . . 
H20 H 1.1510 0.4300 0.5270 0.034 Uiso 1 1 calc R . . 
C21 C 1.0921(5) 0.0596(3) 0.57613(9) 0.0266(17) Uani 1 1 d . . . 
H21 H 1.1741 0.0489 0.5741 0.032 Uiso 1 1 calc R . . 
C22 C 1.0506(5) 0.0664(3) 0.59500(9) 0.0238(16) Uani 1 1 d . . . 
C23 C 1.1125(6) 0.0722(4) 0.61286(9) 0.0360(18) Uani 1 1 d . . . 
H23 H 1.1962 0.0691 0.6146 0.043 Uiso 1 1 calc R . . 
C24 C 1.0292(5) 0.0831(4) 0.62706(9) 0.0336(17) Uani 1 1 d . . . 
H24 H 1.0438 0.0892 0.6406 0.040 Uiso 1 1 calc R . . 
C25 C 0.9192(5) 0.0838(3) 0.61797(8) 0.0242(15) Uani 1 1 d . . . 
H25 H 0.8456 0.0904 0.6246 0.029 Uiso 1 1 calc R . . 
C26 C 0.7202(5) 0.1469(3) 0.52677(8) 0.0258(16) Uani 1 1 d . . . 
H26 H 0.7099 0.1821 0.5163 0.031 Uiso 1 1 calc R . . 
C27 C 0.6279(5) 0.0961(4) 0.53139(8) 0.0262(17) Uani 1 1 d . . . 
C28 C 0.5196(5) 0.0845(4) 0.52195(10) 0.041(2) Uani 1 1 d . . . 
H28 H 0.4903 0.1119 0.5110 0.050 Uiso 1 1 calc R . . 
C29 C 0.4631(5) 0.0249(4) 0.53180(10) 0.046(2) Uani 1 1 d . . . 
H29 H 0.3877 0.0031 0.5288 0.056 Uiso 1 1 calc R . . 
C30 C 0.5393(6) 0.0034(4) 0.54699(10) 0.0396(19) Uani 1 1 d . . . 
H30 H 0.5222 -0.0365 0.5560 0.048 Uiso 1 1 calc R . . 
C31 C 0.7836(6) 0.2806(3) 0.61863(8) 0.0388(18) Uani 1 1 d . . . 
H31A H 0.7092 0.3045 0.6230 0.058 Uiso 1 1 calc R . . 
H31B H 0.8501 0.3159 0.6211 0.058 Uiso 1 1 calc R . . 
H31C H 0.7965 0.2326 0.6258 0.058 Uiso 1 1 calc R . . 
C32 C 0.9330(5) 0.2565(3) 0.58353(9) 0.0366(18) Uani 1 1 d . . . 
H32A H 0.9796 0.2236 0.5923 0.055 Uiso 1 1 calc R . . 
H32B H 0.9659 0.3088 0.5836 0.055 Uiso 1 1 calc R . . 
H32C H 0.9365 0.2357 0.5703 0.055 Uiso 1 1 calc R . . 
C33 C 0.7022(6) 0.3461(3) 0.58039(10) 0.054(2) Uani 1 1 d . . . 
H33A H 0.7079 0.3420 0.5662 0.081 Uiso 1 1 calc R . . 
H33B H 0.7430 0.3929 0.5848 0.081 Uiso 1 1 calc R . . 
H33C H 0.6182 0.3485 0.5842 0.081 Uiso 1 1 calc R . . 
C34 C 0.5700(6) 0.0409(3) 0.59752(10) 0.0393(19) Uani 1 1 d . . . 
H34A H 0.6009 0.0151 0.5859 0.059 Uiso 1 1 calc R . . 
H34B H 0.4897 0.0220 0.6004 0.059 Uiso 1 1 calc R . . 
H34C H 0.6223 0.0301 0.6086 0.059 Uiso 1 1 calc R . . 
C35 C 0.4482(5) 0.1700(4) 0.57477(9) 0.045(2) Uani 1 1 d . . . 
H35A H 0.4446 0.2259 0.5728 0.068 Uiso 1 1 calc R . . 
H35B H 0.3708 0.1515 0.5794 0.068 Uiso 1 1 calc R . . 
H35C H 0.4678 0.1446 0.5624 0.068 Uiso 1 1 calc R . . 
C36 C 0.5128(6) 0.1912(4) 0.61679(9) 0.050(2) Uani 1 1 d . . . 
H36A H 0.5706 0.1796 0.6271 0.075 Uiso 1 1 calc R . . 
H36B H 0.4351 0.1697 0.6203 0.075 Uiso 1 1 calc R . . 
H36C H 0.5059 0.2472 0.6153 0.075 Uiso 1 1 calc R . . 
C37 C 0.8480(6) -0.1017(3) 0.58933(9) 0.0347(17) Uani 1 1 d . . . 
H37A H 0.7952 -0.0907 0.6005 0.042 Uiso 1 1 calc R . . 
H37B H 0.9310 -0.0897 0.5931 0.042 Uiso 1 1 calc R . . 
C38 C 0.8367(6) -0.1857(3) 0.58308(9) 0.0380(18) Uani 1 1 d . . . 
H38A H 0.8954 -0.2186 0.5899 0.046 Uiso 1 1 calc R . . 
H38B H 0.7556 -0.2057 0.5856 0.046 Uiso 1 1 calc R . . 
C39 C 0.8628(6) -0.1811(4) 0.56137(10) 0.041(2) Uani 1 1 d . . . 
H39A H 0.9495 -0.1789 0.5589 0.049 Uiso 1 1 calc R . . 
H39B H 0.8285 -0.2256 0.5543 0.049 Uiso 1 1 calc R . . 
C40 C 0.8033(6) -0.1078(3) 0.55569(9) 0.0348(18) Uani 1 1 d . . . 
H40A H 0.8431 -0.0849 0.5442 0.042 Uiso 1 1 calc R . . 
H40B H 0.7187 -0.1173 0.5524 0.042 Uiso 1 1 calc R . . 
C41 C -0.0037(5) 0.6685(3) 0.29957(8) 0.0160(14) Uani 1 1 d . . . 
C42 C 0.1126(5) 0.6933(4) 0.29732(9) 0.0241(16) Uani 1 1 d . . . 
C43 C 0.1409(5) 0.7722(4) 0.29798(8) 0.0260(16) Uani 1 1 d . . . 
H43 H 0.2214 0.7882 0.2968 0.031 Uiso 1 1 calc R . . 
C44 C 0.0537(5) 0.8260(4) 0.30032(8) 0.0252(16) Uani 1 1 d . . . 
H44 H 0.0741 0.8790 0.3008 0.030 Uiso 1 1 calc R . . 
C45 C -0.0670(5) 0.8037(3) 0.30199(8) 0.0187(15) Uani 1 1 d . . . 
C46 C -0.0959(5) 0.7244(4) 0.30124(8) 0.0190(15) Uani 1 1 d . . . 
C47 C -0.2181(5) 0.7030(3) 0.30216(8) 0.0234(15) Uani 1 1 d . . . 
H47 H -0.2391 0.6500 0.3017 0.028 Uiso 1 1 calc R . . 
C48 C -0.3054(5) 0.7569(4) 0.30362(8) 0.0279(17) Uani 1 1 d . . . 
H48 H -0.3864 0.7413 0.3040 0.033 Uiso 1 1 calc R . . 
C49 C -0.2763(6) 0.8362(4) 0.30454(8) 0.0274(16) Uani 1 1 d . . . 
H49 H -0.3376 0.8736 0.3059 0.033 Uiso 1 1 calc R . . 
C50 C -0.1594(6) 0.8591(3) 0.30350(8) 0.0238(16) Uani 1 1 d . . . 
H50 H -0.1403 0.9124 0.3038 0.029 Uiso 1 1 calc R . . 
C51 C -0.0340(4) 0.5846(4) 0.30207(9) 0.0201(15) Uani 1 1 d . . . 
C52 C -0.0387(5) 0.5341(4) 0.28686(9) 0.0214(16) Uani 1 1 d . . . 
C53 C -0.0802(5) 0.4586(4) 0.28958(10) 0.0293(17) Uani 1 1 d . . . 
H53 H -0.0835 0.4246 0.2788 0.035 Uiso 1 1 calc R . . 
C54 C -0.1156(5) 0.4332(4) 0.30725(11) 0.0347(18) Uani 1 1 d . . . 
H54 H -0.1456 0.3824 0.3087 0.042 Uiso 1 1 calc R . . 
C55 C -0.1078(5) 0.4821(4) 0.32360(11) 0.0313(18) Uani 1 1 d . . . 
C56 C -0.0660(5) 0.5584(4) 0.32114(9) 0.0201(15) Uani 1 1 d . . . 
C57 C -0.0534(5) 0.6053(4) 0.33777(9) 0.0253(16) Uani 1 1 d . . . 
H57 H -0.0260 0.6567 0.3363 0.030 Uiso 1 1 calc R . . 
C58 C -0.0795(5) 0.5786(4) 0.35582(9) 0.0325(17) Uani 1 1 d . . . 
H58 H -0.0692 0.6109 0.3669 0.039 Uiso 1 1 calc R . . 
C59 C -0.1219(5) 0.5030(5) 0.35808(11) 0.045(2) Uani 1 1 d . . . 
H59 H -0.1401 0.4843 0.3707 0.053 Uiso 1 1 calc R . . 
C60 C -0.1369(5) 0.4568(4) 0.34271(10) 0.0361(18) Uani 1 1 d . . . 
H60 H -0.1675 0.4063 0.3446 0.043 Uiso 1 1 calc R . . 
C61 C 0.3027(5) 0.6386(3) 0.30376(8) 0.0206(15) Uani 1 1 d . . . 
H61 H 0.3093 0.6747 0.3141 0.025 Uiso 1 1 calc R . . 
C62 C 0.3973(5) 0.5881(4) 0.30018(8) 0.0232(16) Uani 1 1 d . . . 
C63 C 0.5043(5) 0.5804(4) 0.31038(9) 0.0302(17) Uani 1 1 d . . . 
H63 H 0.5305 0.6106 0.3211 0.036 Uiso 1 1 calc R . . 
C64 C 0.5644(5) 0.5198(4) 0.30169(10) 0.0365(19) Uani 1 1 d . . . 
H64 H 0.6402 0.5002 0.3053 0.044 Uiso 1 1 calc R . . 
C65 C 0.4923(5) 0.4932(4) 0.28667(10) 0.0305(18) Uani 1 1 d . . . 
H65 H 0.5125 0.4511 0.2785 0.037 Uiso 1 1 calc R . . 
C66 C -0.0587(5) 0.5447(3) 0.25274(9) 0.0261(17) Uani 1 1 d . . . 
H66 H -0.1401 0.5313 0.2543 0.031 Uiso 1 1 calc R . . 
C67 C -0.0118(5) 0.5523(3) 0.23386(9) 0.0233(16) Uani 1 1 d . . . 
C68 C -0.0677(5) 0.5526(4) 0.21602(9) 0.0334(18) Uani 1 1 d . . . 
H68 H -0.1507 0.5477 0.2137 0.040 Uiso 1 1 calc R . . 
C69 C 0.0214(6) 0.5617(4) 0.20197(9) 0.0361(18) Uani 1 1 d . . . 
H69 H 0.0119 0.5638 0.1882 0.043 Uiso 1 1 calc R . . 
C70 C 0.1271(6) 0.5669(3) 0.21251(9) 0.0316(17) Uani 1 1 d . . . 
H70 H 0.2031 0.5736 0.2067 0.038 Uiso 1 1 calc R . . 
C71 C 0.1387(6) 0.7467(3) 0.24618(10) 0.045(2) Uani 1 1 d . . . 
H71A H 0.0927 0.7156 0.2370 0.068 Uiso 1 1 calc R . . 
H71B H 0.1128 0.8006 0.2454 0.068 Uiso 1 1 calc R . . 
H71C H 0.1257 0.7274 0.2594 0.068 Uiso 1 1 calc R . . 
C72 C 0.3112(8) 0.7745(4) 0.21456(11) 0.098(3) Uani 1 1 d . . . 
H72A H 0.3953 0.7774 0.2108 0.147 Uiso 1 1 calc R . . 
H72B H 0.2751 0.8257 0.2135 0.147 Uiso 1 1 calc R . . 
H72C H 0.2697 0.7385 0.2059 0.147 Uiso 1 1 calc R . . 
C73 C 0.3809(7) 0.8117(4) 0.25551(13) 0.095(3) Uani 1 1 d . . . 
H73A H 0.3849 0.7928 0.2689 0.142 Uiso 1 1 calc R . . 
H73B H 0.3389 0.8611 0.2552 0.142 Uiso 1 1 calc R . . 
H73C H 0.4618 0.8186 0.2504 0.142 Uiso 1 1 calc R . . 
C74 C 0.4508(6) 0.5026(3) 0.23423(10) 0.056(2) Uani 1 1 d . . . 
H74A H 0.4234 0.4824 0.2468 0.084 Uiso 1 1 calc R . . 
H74B H 0.5254 0.4771 0.2306 0.084 Uiso 1 1 calc R . . 
H74C H 0.3904 0.4926 0.2243 0.084 Uiso 1 1 calc R . . 
C75 C 0.5269(7) 0.6429(4) 0.21166(11) 0.075(3) Uani 1 1 d . . . 
H75A H 0.4615 0.6375 0.2023 0.113 Uiso 1 1 calc R . . 
H75B H 0.5947 0.6117 0.2074 0.113 Uiso 1 1 calc R . . 
H75C H 0.5509 0.6971 0.2124 0.113 Uiso 1 1 calc R . . 
C76 C 0.6062(6) 0.6280(5) 0.25285(13) 0.100(4) Uani 1 1 d . . . 
H76A H 0.6164 0.6837 0.2545 0.150 Uiso 1 1 calc R . . 
H76B H 0.6785 0.6060 0.2471 0.150 Uiso 1 1 calc R . . 
H76C H 0.5913 0.6042 0.2656 0.150 Uiso 1 1 calc R . . 
C77 C 0.1584(7) 0.3839(4) 0.24547(9) 0.050(2) Uani 1 1 d . . . 
H77A H 0.1953 0.3994 0.2330 0.060 Uiso 1 1 calc R . . 
H77B H 0.0712 0.3915 0.2446 0.060 Uiso 1 1 calc R . . 
C78 C 0.1869(6) 0.3020(4) 0.25009(9) 0.047(2) Uani 1 1 d . . . 
H78A H 0.2671 0.2878 0.2453 0.056 Uiso 1 1 calc R . . 
H78B H 0.1275 0.2665 0.2443 0.056 Uiso 1 1 calc R . . 
C79 C 0.1814(7) 0.3009(4) 0.27202(9) 0.052(2) Uani 1 1 d . . . 
H79A H 0.0984 0.2948 0.2766 0.062 Uiso 1 1 calc R . . 
H79B H 0.2302 0.2583 0.2774 0.062 Uiso 1 1 calc R . . 
C80 C 0.2299(6) 0.3759(3) 0.27780(8) 0.0376(18) Uani 1 1 d . . . 
H80A H 0.1900 0.3947 0.2897 0.045 Uiso 1 1 calc R . . 
H80B H 0.3163 0.3718 0.2804 0.045 Uiso 1 1 calc R . . 
C81 C 0.4564(4) 0.8760(3) 0.36373(9) 0.0191(15) Uani 1 1 d . . . 
C82 C 0.4471(4) 0.9269(4) 0.37927(9) 0.0207(15) Uani 1 1 d . . . 
C83 C 0.3908(5) 0.9983(3) 0.37662(10) 0.0249(16) Uani 1 1 d . . . 
H83 H 0.3850 1.0326 0.3874 0.030 Uiso 1 1 calc R . . 
C84 C 0.3451(5) 1.0196(4) 0.35944(10) 0.0294(17) Uani 1 1 d . . . 
H84 H 0.3041 1.0673 0.3584 0.035 Uiso 1 1 calc R . . 
C85 C 0.3574(5) 0.9714(4) 0.34280(9) 0.0247(16) Uani 1 1 d . . . 
C86 C 0.4161(4) 0.9004(4) 0.34507(9) 0.0223(16) Uani 1 1 d . . . 
C87 C 0.4364(5) 0.8555(3) 0.32808(9) 0.0225(16) Uani 1 1 d . . . 
H87 H 0.4755 0.8072 0.3292 0.027 Uiso 1 1 calc R . . 
C88 C 0.4013(5) 0.8802(4) 0.31046(10) 0.0292(17) Uani 1 1 d . . . 
H88 H 0.4183 0.8499 0.2993 0.035 Uiso 1 1 calc R . . 
C89 C 0.3398(5) 0.9504(4) 0.30833(10) 0.0373(18) Uani 1 1 d . . . 
H89 H 0.3136 0.9666 0.2958 0.045 Uiso 1 1 calc R . . 
C90 C 0.3180(5) 0.9950(4) 0.32421(10) 0.0344(17) Uani 1 1 d . . . 
H90 H 0.2761 1.0422 0.3228 0.041 Uiso 1 1 calc R . . 
C91 C 0.4995(5) 0.7941(3) 0.36552(8) 0.0210(15) Uani 1 1 d . . . 
C92 C 0.6183(5) 0.7764(4) 0.36674(8) 0.0234(15) Uani 1 1 d . . . 
C93 C 0.6564(6) 0.6990(4) 0.36473(8) 0.0315(17) Uani 1 1 d . . . 
H93 H 0.7390 0.6874 0.3649 0.038 Uiso 1 1 calc R . . 
C94 C 0.5758(6) 0.6415(4) 0.36251(9) 0.0337(18) Uani 1 1 d . . . 
H94 H 0.6031 0.5899 0.3615 0.040 Uiso 1 1 calc R . . 
C95 C 0.4528(6) 0.6564(4) 0.36172(8) 0.0251(16) Uani 1 1 d . . . 
C96 C 0.4141(5) 0.7345(4) 0.36351(8) 0.0208(15) Uani 1 1 d . . . 
C97 C 0.2877(5) 0.7486(4) 0.36309(8) 0.0278(16) Uani 1 1 d . . . 
H97 H 0.2595 0.7999 0.3643 0.033 Uiso 1 1 calc R . . 
C98 C 0.2087(6) 0.6912(4) 0.36104(8) 0.0310(17) Uani 1 1 d . . . 
H98 H 0.1259 0.7025 0.3610 0.037 Uiso 1 1 calc R . . 
C99 C 0.2473(6) 0.6138(4) 0.35885(8) 0.0368(18) Uani 1 1 d . . . 
H99 H 0.1913 0.5734 0.3570 0.044 Uiso 1 1 calc R . . 
C100 C 0.3657(6) 0.5986(4) 0.35937(8) 0.0335(17) Uani 1 1 d . . . 
H100 H 0.3912 0.5467 0.3581 0.040 Uiso 1 1 calc R . . 
C101 C 0.4429(5) 0.9224(4) 0.41354(9) 0.0252(16) Uani 1 1 d . . . 
H101 H 0.3613 0.9364 0.4127 0.030 Uiso 1 1 calc R . . 
C102 C 0.4958(5) 0.9189(4) 0.43155(9) 0.0252(16) Uani 1 1 d . . . 
C103 C 0.4469(5) 0.9285(4) 0.45043(10) 0.0386(19) Uani 1 1 d . . . 
H103 H 0.3662 0.9393 0.4534 0.046 Uiso 1 1 calc R . . 
C104 C 0.5381(5) 0.9192(4) 0.46353(9) 0.0324(17) Uani 1 1 d . . . 
H104 H 0.5331 0.9223 0.4773 0.039 Uiso 1 1 calc R . . 
C105 C 0.6394(5) 0.9043(3) 0.45251(9) 0.0284(16) Uani 1 1 d . . . 
H105 H 0.7160 0.8956 0.4579 0.034 Uiso 1 1 calc R . . 
C106 C 0.7948(5) 0.8456(4) 0.35874(8) 0.0268(16) Uani 1 1 d . . . 
H106 H 0.8054 0.8114 0.3481 0.032 Uiso 1 1 calc R . . 
C107 C 0.8771(5) 0.9041(4) 0.36158(9) 0.0287(17) Uani 1 1 d . . . 
C108 C 0.9755(5) 0.9261(4) 0.35050(9) 0.0381(19) Uani 1 1 d . . . 
H108 H 1.0051 0.9008 0.3392 0.046 Uiso 1 1 calc R . . 
C109 C 1.0218(6) 0.9923(4) 0.35911(11) 0.042(2) Uani 1 1 d . . . 
H109 H 1.0882 1.0217 0.3548 0.051 Uiso 1 1 calc R . . 
C110 C 0.9506(5) 1.0062(4) 0.37517(9) 0.0323(18) Uani 1 1 d . . . 
H110 H 0.9629 1.0482 0.3838 0.039 Uiso 1 1 calc R . . 
C111 C 0.9179(6) 0.6629(4) 0.41053(12) 0.065(2) Uani 1 1 d . . . 
H11A H 0.9125 0.6719 0.3965 0.097 Uiso 1 1 calc R . . 
H11B H 0.8888 0.6111 0.4135 0.097 Uiso 1 1 calc R . . 
H11C H 1.0009 0.6677 0.4147 0.097 Uiso 1 1 calc R . . 
C112 C 0.6655(6) 0.7204(4) 0.41668(9) 0.044(2) Uani 1 1 d . . . 
H11D H 0.6139 0.7512 0.4251 0.066 Uiso 1 1 calc R . . 
H11E H 0.6456 0.6657 0.4181 0.066 Uiso 1 1 calc R . . 
H11F H 0.6538 0.7361 0.4031 0.066 Uiso 1 1 calc R . . 
C113 C 0.8312(6) 0.7116(4) 0.45033(9) 0.053(2) Uani 1 1 d . . . 
H11G H 0.9129 0.7183 0.4551 0.080 Uiso 1 1 calc R . . 
H11H H 0.8064 0.6580 0.4522 0.080 Uiso 1 1 calc R . . 
H11I H 0.7778 0.7459 0.4576 0.080 Uiso 1 1 calc R . . 
C114 C 1.1026(5) 0.8529(4) 0.40005(9) 0.043(2) Uani 1 1 d . . . 
H11J H 1.1152 0.7976 0.3980 0.064 Uiso 1 1 calc R . . 
H11K H 1.1793 0.8779 0.4026 0.064 Uiso 1 1 calc R . . 
H11L H 1.0662 0.8755 0.3884 0.064 Uiso 1 1 calc R . . 
C115 C 0.9809(5) 0.9731(4) 0.42596(10) 0.039(2) Uani 1 1 d . . . 
H11M H 0.9249 0.9941 0.4164 0.059 Uiso 1 1 calc R . . 
H11N H 1.0576 0.9994 0.4247 0.059 Uiso 1 1 calc R . . 
H11O H 0.9493 0.9810 0.4391 0.059 Uiso 1 1 calc R . . 
C116 C 1.0830(5) 0.8287(4) 0.44360(9) 0.0414(19) Uani 1 1 d . . . 
H11P H 1.0376 0.8411 0.4554 0.062 Uiso 1 1 calc R . . 
H11Q H 1.1621 0.8522 0.4444 0.062 Uiso 1 1 calc R . . 
H11R H 1.0912 0.7727 0.4425 0.062 Uiso 1 1 calc R . . 
C117 C 0.6813(5) 1.0992(3) 0.39251(8) 0.0304(16) Uani 1 1 d . . . 
H11S H 0.5953 1.1087 0.3905 0.037 Uiso 1 1 calc R . . 
H11T H 0.7175 1.0839 0.3800 0.037 Uiso 1 1 calc R . . 
C118 C 0.7425(6) 1.1701(3) 0.40085(9) 0.0440(19) Uani 1 1 d . . . 
H11U H 0.8244 1.1750 0.3957 0.053 Uiso 1 1 calc R . . 
H11V H 0.6975 1.2174 0.3976 0.053 Uiso 1 1 calc R . . 
C119 C 0.7447(6) 1.1575(3) 0.42274(8) 0.0383(18) Uani 1 1 d . . . 
H11W H 0.8275 1.1574 0.4277 0.046 Uiso 1 1 calc R . . 
H11$ H 0.6994 1.1984 0.4295 0.046 Uiso 1 1 calc R . . 
C120 C 0.6868(5) 1.0794(3) 0.42587(8) 0.0311(17) Uani 1 1 d . . . 
H12A H 0.7273 1.0507 0.4364 0.037 Uiso 1 1 calc R . . 
H12B H 0.6016 1.0853 0.4293 0.037 Uiso 1 1 calc R . . 
C121 C 0.1381(7) 0.2044(4) 0.32681(11) 0.064(2) Uani 1 1 d . . . 
H12C H 0.1862 0.1672 0.3195 0.096 Uiso 1 1 calc R . . 
H12D H 0.0608 0.2108 0.3204 0.096 Uiso 1 1 calc R . . 
H12E H 0.1260 0.1856 0.3401 0.096 Uiso 1 1 calc R . . 
C122 C 0.2001(6) 0.2792(4) 0.32740(8) 0.0310(17) Uani 1 1 d . . . 
C123 C 0.1406(6) 0.3466(4) 0.33085(9) 0.0319(18) Uani 1 1 d . . . 
H123 H 0.0570 0.3449 0.3329 0.038 Uiso 1 1 calc R . . 
C124 C 0.1973(6) 0.4167(4) 0.33139(9) 0.0407(19) Uani 1 1 d . . . 
H124 H 0.1539 0.4623 0.3342 0.049 Uiso 1 1 calc R . . 
C125 C 0.3186(7) 0.4201(4) 0.32774(9) 0.0423(19) Uani 1 1 d . . . 
H125 H 0.3584 0.4684 0.3277 0.051 Uiso 1 1 calc R . . 
C126 C 0.3811(6) 0.3534(5) 0.32423(9) 0.044(2) Uani 1 1 d . . . 
H126 H 0.4644 0.3553 0.3219 0.053 Uiso 1 1 calc R . . 
C127 C 0.3219(7) 0.2834(4) 0.32409(9) 0.042(2) Uani 1 1 d . . . 
H127 H 0.3654 0.2375 0.3217 0.050 Uiso 1 1 calc R . . 
C128 C 0.6674(6) 0.0235(4) 0.33194(10) 0.050(2) Uani 1 1 d . . . 
H12F H 0.6318 -0.0081 0.3422 0.075 Uiso 1 1 calc R . . 
H12G H 0.7462 0.0031 0.3286 0.075 Uiso 1 1 calc R . . 
H12H H 0.6163 0.0222 0.3204 0.075 Uiso 1 1 calc R . . 
C129 C 0.6794(6) 0.1044(4) 0.33889(9) 0.0311(17) Uani 1 1 d . . . 
C130 C 0.5819(6) 0.1495(4) 0.34351(9) 0.0314(18) Uani 1 1 d . . . 
H130 H 0.5041 0.1292 0.3418 0.038 Uiso 1 1 calc R . . 
C131 C 0.5953(6) 0.2230(4) 0.35049(10) 0.0373(19) Uani 1 1 d . . . 
H131 H 0.5270 0.2531 0.3534 0.045 Uiso 1 1 calc R . . 
C132 C 0.7062(6) 0.2532(4) 0.35329(9) 0.0436(19) Uani 1 1 d . . . 
H132 H 0.7154 0.3036 0.3584 0.052 Uiso 1 1 calc R . . 
C133 C 0.8037(6) 0.2100(5) 0.34858(10) 0.050(2) Uani 1 1 d . . . 
H133 H 0.8809 0.2313 0.3504 0.059 Uiso 1 1 calc R . . 
C134 C 0.7932(6) 0.1368(4) 0.34137(9) 0.0357(18) Uani 1 1 d . . . 
H134 H 0.8622 0.1081 0.3381 0.043 Uiso 1 1 calc R . . 
C135 C 0.3859(11) 0.7822(6) 0.49361(18) 0.055(4) Uani 0.667(10) 1 d PU A 1 
H13A H 0.4680 0.7780 0.4983 0.082 Uiso 0.667(10) 1 calc PR A 1 
H13B H 0.3419 0.8185 0.5018 0.082 Uiso 0.667(10) 1 calc PR A 1 
H13C H 0.3861 0.8007 0.4801 0.082 Uiso 0.667(10) 1 calc PR A 1 
C136 C 0.3287(7) 0.7063(4) 0.49446(11) 0.036(3) Uani 0.667(10) 1 d PGU A 1 
C137 C 0.3920(6) 0.6429(6) 0.50122(13) 0.037(4) Uani 0.667(10) 1 d PGU A 1 
H13D H 0.4713 0.6491 0.5057 0.044 Uiso 0.667(10) 1 calc PR A 1 
C138 C 0.3392(9) 0.5705(5) 0.50136(14) 0.054(5) Uani 0.667(10) 1 d PGU A 1 
H13E H 0.3825 0.5272 0.5060 0.064 Uiso 0.667(10) 1 calc PR A 1 
C139 C 0.2232(8) 0.5615(4) 0.49475(11) 0.056(4) Uani 0.667(10) 1 d PGU A 1 
H13F H 0.1871 0.5120 0.4948 0.067 Uiso 0.667(10) 1 calc PR A 1 
C140 C 0.1599(6) 0.6249(5) 0.48799(12) 0.051(4) Uani 0.667(10) 1 d PGU A 1 
H14A H 0.0806 0.6187 0.4835 0.061 Uiso 0.667(10) 1 calc PR A 1 
C141 C 0.2126(7) 0.6973(4) 0.48785(13) 0.043(4) Uani 0.667(10) 1 d PGU A 1 
H14B H 0.1694 0.7406 0.4832 0.052 Uiso 0.667(10) 1 calc PR A 1 
C142 C 0.328(2) 0.5383(16) 0.5033(5) 0.063(10) Uani 0.333(10) 1 d PU A 2 
H14C H 0.4104 0.5272 0.5072 0.094 Uiso 0.333(10) 1 calc PR A 2 
H14D H 0.3071 0.5057 0.4921 0.094 Uiso 0.333(10) 1 calc PR A 2 
H14E H 0.2744 0.5276 0.5141 0.094 Uiso 0.333(10) 1 calc PR A 2 
C143 C 0.3183(15) 0.6196(7) 0.4977(2) 0.027(7) Uani 0.333(10) 1 d PGU A 2 
C144 C 0.4195(11) 0.6656(9) 0.4979(3) 0.031(7) Uani 0.333(10) 1 d PGU A 2 
H14F H 0.4928 0.6453 0.5025 0.038 Uiso 0.333(10) 1 calc PR A 2 
C145 C 0.4136(13) 0.7413(9) 0.4914(3) 0.053(9) Uani 0.333(10) 1 d PGU A 2 
H14G H 0.4828 0.7728 0.4916 0.064 Uiso 0.333(10) 1 calc PR A 2 
C146 C 0.3064(16) 0.7711(7) 0.4847(3) 0.075(9) Uani 0.333(10) 1 d PGU A 2 
H14H H 0.3023 0.8229 0.4803 0.090 Uiso 0.333(10) 1 calc PR A 2 
C147 C 0.2051(12) 0.7251(10) 0.4845(3) 0.068(10) Uani 0.333(10) 1 d PGU A 2 
H14I H 0.1318 0.7454 0.4799 0.082 Uiso 0.333(10) 1 calc PR A 2 
C148 C 0.2111(12) 0.6494(9) 0.4910(3) 0.038(8) Uani 0.333(10) 1 d PGU A 2 
H14J H 0.1419 0.6179 0.4908 0.046 Uiso 0.333(10) 1 calc PR A 2 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Sm1 N5 2.277(4) . ? 
Sm1 O1 2.438(4) . ? 
Sm1 N3 2.460(5) . ? 
Sm1 N4 2.478(5) . ? 
Sm1 N2 2.506(5) . ? 
Sm1 N1 2.527(4) . ? 
Sm1 Si2 3.3530(19) . ? 
Sm1 Si1 3.4518(18) . ? 
Sm2 N10 2.278(5) . ? 
Sm2 O2 2.437(3) . ? 
Sm2 N9 2.472(5) . ? 
Sm2 N8 2.486(5) . ? 
Sm2 N6 2.487(4) . ? 
Sm2 N7 2.543(4) . ? 
Sm2 Si4 3.3633(19) . ? 
Sm2 Si3 3.4305(18) . ? 
Sm3 N15 2.290(4) . ? 
Sm3 O3 2.434(4) . ? 
Sm3 N13 2.463(5) . ? 
Sm3 N14 2.471(5) . ? 
Sm3 N12 2.502(5) . ? 
Sm3 N11 2.548(4) . ? 
Sm3 Si6 3.4211(18) . ? 
Sm3 Si5 3.426(2) . ? 
Si1 N5 1.699(5) . ? 
Si1 C31 1.874(6) . ? 
Si1 C32 1.878(6) . ? 
Si1 C33 1.886(6) . ? 
Si2 N5 1.720(5) . ? 
Si2 C35 1.861(6) . ? 
Si2 C34 1.872(6) . ? 
Si2 C36 1.885(6) . ? 
Si3 N10 1.696(5) . ? 
Si3 C72 1.856(7) . ? 
Si3 C71 1.857(7) . ? 
Si3 C73 1.872(7) . ? 
Si4 N10 1.700(5) . ? 
Si4 C74 1.877(6) . ? 
Si4 C76 1.878(7) . ? 
Si4 C75 1.880(7) . ? 
Si5 N15 1.699(5) . ? 
Si5 C112 1.872(6) . ? 
Si5 C111 1.878(7) . ? 
Si5 C113 1.880(6) . ? 
Si6 N15 1.711(5) . ? 
Si6 C115 1.874(6) . ? 
Si6 C114 1.876(6) . ? 
Si6 C116 1.897(6) . ? 
N1 C21 1.311(7) . ? 
N1 C2 1.418(7) . ? 
N2 C26 1.320(7) . ? 
N2 C12 1.423(7) . ? 
N3 C25 1.358(7) . ? 
N3 C22 1.386(7) . ? 
N4 C30 1.344(7) . ? 
N4 C27 1.403(7) . ? 
N6 C61 1.321(6) . ? 
N6 C42 1.441(7) . ? 
N7 C66 1.294(7) . ? 
N7 C52 1.442(7) . ? 
N8 C65 1.359(7) . ? 
N8 C62 1.401(7) . ? 
N9 C70 1.331(7) . ? 
N9 C67 1.382(7) . ? 
N11 C101 1.316(7) . ? 
N11 C82 1.428(7) . ? 
N12 C106 1.308(7) . ? 
N12 C92 1.426(7) . ? 
N13 C105 1.339(7) . ? 
N13 C102 1.390(6) . ? 
N14 C110 1.345(7) . ? 
N14 C107 1.405(7) . ? 
O1 C37 1.456(6) . ? 
O1 C40 1.458(6) . ? 
O2 C80 1.461(6) . ? 
O2 C77 1.465(7) . ? 
O3 C120 1.454(6) . ? 
O3 C117 1.457(6) . ? 
C1 C2 1.374(7) . ? 
C1 C6 1.426(7) . ? 
C1 C11 1.496(8) . ? 
C2 C3 1.406(8) . ? 
C3 C4 1.362(8) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.418(8) . ? 
C4 H4 0.9500 . ? 
C5 C10 1.407(8) . ? 
C5 C6 1.426(8) . ? 
C6 C7 1.421(8) . ? 
C7 C8 1.366(7) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.398(8) . ? 
C8 H8 0.9500 . ? 
C9 C10 1.369(8) . ? 
C9 H9 0.9500 . ? 
C10 H10 0.9500 . ? 
C11 C12 1.383(7) . ? 
C11 C16 1.426(7) . ? 
C12 C13 1.418(7) . ? 
C13 C14 1.356(8) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.398(8) . ? 
C14 H14 0.9500 . ? 
C15 C16 1.426(8) . ? 
C15 C20 1.433(8) . ? 
C16 C17 1.431(7) . ? 
C17 C18 1.349(7) . ? 
C17 H17 0.9500 . ? 
C18 C19 1.415(8) . ? 
C18 H18 0.9500 . ? 
C19 C20 1.360(8) . ? 
C19 H19 0.9500 . ? 
C20 H20 0.9500 . ? 
C21 C22 1.383(8) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.414(8) . ? 
C23 C24 1.365(8) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.384(7) . ? 
C24 H24 0.9500 . ? 
C25 H25 0.9500 . ? 
C26 C27 1.398(8) . ? 
C26 H26 0.9500 . ? 
C27 C28 1.393(8) . ? 
C28 C29 1.390(9) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.401(9) . ? 
C29 H29 0.9500 . ? 
C30 H30 0.9500 . ? 
C31 H31A 0.9800 . ? 
C31 H31B 0.9800 . ? 
C31 H31C 0.9800 . ? 
C32 H32A 0.9800 . ? 
C32 H32B 0.9800 . ? 
C32 H32C 0.9800 . ? 
C33 H33A 0.9800 . ? 
C33 H33B 0.9800 . ? 
C33 H33C 0.9800 . ? 
C34 H34A 0.9800 . ? 
C34 H34B 0.9800 . ? 
C34 H34C 0.9800 . ? 
C35 H35A 0.9800 . ? 
C35 H35B 0.9800 . ? 
C35 H35C 0.9800 . ? 
C36 H36A 0.9800 . ? 
C36 H36B 0.9800 . ? 
C36 H36C 0.9800 . ? 
C37 C38 1.526(8) . ? 
C37 H37A 0.9900 . ? 
C37 H37B 0.9900 . ? 
C38 C39 1.523(8) . ? 
C38 H38A 0.9900 . ? 
C38 H38B 0.9900 . ? 
C39 C40 1.489(8) . ? 
C39 H39A 0.9900 . ? 
C39 H39B 0.9900 . ? 
C40 H40A 0.9900 . ? 
C40 H40B 0.9900 . ? 
C41 C42 1.385(7) . ? 
C41 C46 1.424(7) . ? 
C41 C51 1.506(8) . ? 
C42 C43 1.408(7) . ? 
C43 C44 1.362(7) . ? 
C43 H43 0.9500 . ? 
C44 C45 1.414(8) . ? 
C44 H44 0.9500 . ? 
C45 C46 1.415(7) . ? 
C45 C50 1.419(7) . ? 
C46 C47 1.424(7) . ? 
C47 C48 1.359(7) . ? 
C47 H47 0.9500 . ? 
C48 C49 1.417(7) . ? 
C48 H48 0.9500 . ? 
C49 C50 1.374(8) . ? 
C49 H49 0.9500 . ? 
C50 H50 0.9500 . ? 
C51 C52 1.365(8) . ? 
C51 C56 1.433(7) . ? 
C52 C53 1.403(8) . ? 
C53 C54 1.352(8) . ? 
C53 H53 0.9500 . ? 
C54 C55 1.411(9) . ? 
C54 H54 0.9500 . ? 
C55 C56 1.415(8) . ? 
C55 C60 1.423(8) . ? 
C56 C57 1.410(8) . ? 
C57 C58 1.356(8) . ? 
C57 H57 0.9500 . ? 
C58 C59 1.406(8) . ? 
C58 H58 0.9500 . ? 
C59 C60 1.337(9) . ? 
C59 H59 0.9500 . ? 
C60 H60 0.9500 . ? 
C61 C62 1.400(7) . ? 
C61 H61 0.9500 . ? 
C62 C63 1.398(7) . ? 
C63 C64 1.386(8) . ? 
C63 H63 0.9500 . ? 
C64 C65 1.391(8) . ? 
C64 H64 0.9500 . ? 
C65 H65 0.9500 . ? 
C66 C67 1.407(8) . ? 
C66 H66 0.9500 . ? 
C67 C68 1.378(8) . ? 
C68 C69 1.399(8) . ? 
C68 H68 0.9500 . ? 
C69 C70 1.395(8) . ? 
C69 H69 0.9500 . ? 
C70 H70 0.9500 . ? 
C71 H71A 0.9800 . ? 
C71 H71B 0.9800 . ? 
C71 H71C 0.9800 . ? 
C72 H72A 0.9800 . ? 
C72 H72B 0.9800 . ? 
C72 H72C 0.9800 . ? 
C73 H73A 0.9800 . ? 
C73 H73B 0.9800 . ? 
C73 H73C 0.9800 . ? 
C74 H74A 0.9800 . ? 
C74 H74B 0.9800 . ? 
C74 H74C 0.9800 . ? 
C75 H75A 0.9800 . ? 
C75 H75B 0.9800 . ? 
C75 H75C 0.9800 . ? 
C76 H76A 0.9800 . ? 
C76 H76B 0.9800 . ? 
C76 H76C 0.9800 . ? 
C77 C78 1.492(8) . ? 
C77 H77A 0.9900 . ? 
C77 H77B 0.9900 . ? 
C78 C79 1.509(8) . ? 
C78 H78A 0.9900 . ? 
C78 H78B 0.9900 . ? 
C79 C80 1.467(7) . ? 
C79 H79A 0.9900 . ? 
C79 H79B 0.9900 . ? 
C80 H80A 0.9900 . ? 
C80 H80B 0.9900 . ? 
C81 C82 1.390(7) . ? 
C81 C86 1.424(8) . ? 
C81 C91 1.506(8) . ? 
C82 C83 1.403(7) . ? 
C83 C84 1.340(8) . ? 
C83 H83 0.9500 . ? 
C84 C85 1.424(8) . ? 
C84 H84 0.9500 . ? 
C85 C86 1.407(8) . ? 
C85 C90 1.413(8) . ? 
C86 C87 1.422(8) . ? 
C87 C88 1.344(8) . ? 
C87 H87 0.9500 . ? 
C88 C89 1.409(8) . ? 
C88 H88 0.9500 . ? 
C89 C90 1.360(8) . ? 
C89 H89 0.9500 . ? 
C90 H90 0.9500 . ? 
C91 C92 1.372(7) . ? 
C91 C96 1.419(8) . ? 
C92 C93 1.417(7) . ? 
C93 C94 1.357(8) . ? 
C93 H93 0.9500 . ? 
C94 C95 1.407(8) . ? 
C94 H94 0.9500 . ? 
C95 C100 1.412(8) . ? 
C95 C96 1.428(8) . ? 
C96 C97 1.442(7) . ? 
C97 C98 1.341(7) . ? 
C97 H97 0.9500 . ? 
C98 C99 1.420(8) . ? 
C98 H98 0.9500 . ? 
C99 C100 1.357(8) . ? 
C99 H99 0.9500 . ? 
C100 H100 0.9500 . ? 
C101 C102 1.374(8) . ? 
C101 H101 0.9500 . ? 
C102 C103 1.418(8) . ? 
C103 C104 1.374(8) . ? 
C103 H103 0.9500 . ? 
C104 C105 1.391(8) . ? 
C104 H104 0.9500 . ? 
C105 H105 0.9500 . ? 
C106 C107 1.388(8) . ? 
C106 H106 0.9500 . ? 
C107 C108 1.396(8) . ? 
C108 C109 1.394(9) . ? 
C108 H108 0.9500 . ? 
C109 C110 1.385(8) . ? 
C109 H109 0.9500 . ? 
C110 H110 0.9500 . ? 
C111 H11A 0.9800 . ? 
C111 H11B 0.9800 . ? 
C111 H11C 0.9800 . ? 
C112 H11D 0.9800 . ? 
C112 H11E 0.9800 . ? 
C112 H11F 0.9800 . ? 
C113 H11G 0.9800 . ? 
C113 H11H 0.9800 . ? 
C113 H11I 0.9800 . ? 
C114 H11J 0.9800 . ? 
C114 H11K 0.9800 . ? 
C114 H11L 0.9800 . ? 
C115 H11M 0.9800 . ? 
C115 H11N 0.9800 . ? 
C115 H11O 0.9800 . ? 
C116 H11P 0.9800 . ? 
C116 H11Q 0.9800 . ? 
C116 H11R 0.9800 . ? 
C117 C118 1.523(8) . ? 
C117 H11S 0.9900 . ? 
C117 H11T 0.9900 . ? 
C118 C119 1.520(8) . ? 
C118 H11U 0.9900 . ? 
C118 H11V 0.9900 . ? 
C119 C120 1.518(7) . ? 
C119 H11W 0.9900 . ? 
C119 H11$ 0.9900 . ? 
C120 H12A 0.9900 . ? 
C120 H12B 0.9900 . ? 
C121 C122 1.474(8) . ? 
C121 H12C 0.9800 . ? 
C121 H12D 0.9800 . ? 
C121 H12E 0.9800 . ? 
C122 C123 1.369(8) . ? 
C122 C127 1.389(9) . ? 
C123 C124 1.374(8) . ? 
C123 H123 0.9500 . ? 
C124 C125 1.387(8) . ? 
C124 H124 0.9500 . ? 
C125 C126 1.376(9) . ? 
C125 H125 0.9500 . ? 
C126 C127 1.384(9) . ? 
C126 H126 0.9500 . ? 
C127 H127 0.9500 . ? 
C128 C129 1.491(8) . ? 
C128 H12F 0.9800 . ? 
C128 H12G 0.9800 . ? 
C128 H12H 0.9800 . ? 
C129 C130 1.383(8) . ? 
C129 C134 1.407(8) . ? 
C130 C131 1.371(8) . ? 
C130 H130 0.9500 . ? 
C131 C132 1.365(8) . ? 
C131 H131 0.9500 . ? 
C132 C133 1.368(8) . ? 
C132 H132 0.9500 . ? 
C133 C134 1.368(8) . ? 
C133 H133 0.9500 . ? 
C134 H134 0.9500 . ? 
C135 C136 1.467(12) . ? 
C135 H13A 0.9800 . ? 
C135 H13B 0.9800 . ? 
C135 H13C 0.9800 . ? 
C136 C137 1.3900 . ? 
C136 C141 1.3900 . ? 
C137 C138 1.3900 . ? 
C137 H13D 0.9500 . ? 
C138 C139 1.3900 . ? 
C138 H13E 0.9500 . ? 
C139 C140 1.3900 . ? 
C139 H13F 0.9500 . ? 
C140 C141 1.3900 . ? 
C140 H14A 0.9500 . ? 
C141 H14B 0.9500 . ? 
C142 C143 1.47(3) . ? 
C142 H14C 0.9800 . ? 
C142 H14D 0.9800 . ? 
C142 H14E 0.9800 . ? 
C143 C144 1.3900 . ? 
C143 C148 1.3900 . ? 
C144 C145 1.3900 . ? 
C144 H14F 0.9500 . ? 
C145 C146 1.3900 . ? 
C145 H14G 0.9500 . ? 
C146 C147 1.3900 . ? 
C146 H14H 0.9500 . ? 
C147 C148 1.3900 . ? 
C147 H14I 0.9500 . ? 
C148 H14J 0.9500 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
N5 Sm1 O1 132.44(14) . . ? 
N5 Sm1 N3 85.17(16) . . ? 
O1 Sm1 N3 80.68(14) . . ? 
N5 Sm1 N4 96.97(15) . . ? 
O1 Sm1 N4 79.77(14) . . ? 
N3 Sm1 N4 155.24(16) . . ? 
N5 Sm1 N2 100.09(15) . . ? 
O1 Sm1 N2 121.36(14) . . ? 
N3 Sm1 N2 135.87(16) . . ? 
N4 Sm1 N2 68.22(16) . . ? 
N5 Sm1 N1 132.09(15) . . ? 
O1 Sm1 N1 82.85(13) . . ? 
N3 Sm1 N1 67.83(15) . . ? 
N4 Sm1 N1 124.14(15) . . ? 
N2 Sm1 N1 77.12(14) . . ? 
N5 Sm1 Si2 28.10(11) . . ? 
O1 Sm1 Si2 108.37(9) . . ? 
N3 Sm1 Si2 94.52(12) . . ? 
N4 Sm1 Si2 77.48(11) . . ? 
N2 Sm1 Si2 110.61(11) . . ? 
N1 Sm1 Si2 157.78(11) . . ? 
N5 Sm1 Si1 25.28(11) . . ? 
O1 Sm1 Si1 147.47(9) . . ? 
N3 Sm1 Si1 75.15(11) . . ? 
N4 Sm1 Si1 115.71(11) . . ? 
N2 Sm1 Si1 91.16(11) . . ? 
N1 Sm1 Si1 107.15(11) . . ? 
Si2 Sm1 Si1 53.30(5) . . ? 
N10 Sm2 O2 131.95(14) . . ? 
N10 Sm2 N9 84.73(16) . . ? 
O2 Sm2 N9 84.00(14) . . ? 
N10 Sm2 N8 93.25(15) . . ? 
O2 Sm2 N8 80.58(14) . . ? 
N9 Sm2 N8 157.27(16) . . ? 
N10 Sm2 N6 102.75(15) . . ? 
O2 Sm2 N6 118.38(13) . . ? 
N9 Sm2 N6 133.81(16) . . ? 
N8 Sm2 N6 68.74(16) . . ? 
N10 Sm2 N7 135.86(15) . . ? 
O2 Sm2 N7 79.62(13) . . ? 
N9 Sm2 N7 66.70(16) . . ? 
N8 Sm2 N7 125.91(15) . . ? 
N6 Sm2 N7 77.77(15) . . ? 
N10 Sm2 Si4 27.34(12) . . ? 
O2 Sm2 Si4 106.66(9) . . ? 
N9 Sm2 Si4 91.22(12) . . ? 
N8 Sm2 Si4 77.45(11) . . ? 
N6 Sm2 Si4 116.20(11) . . ? 
N7 Sm2 Si4 156.63(12) . . ? 
N10 Sm2 Si3 25.72(11) . . ? 
O2 Sm2 Si3 152.40(9) . . ? 
N9 Sm2 Si3 78.60(12) . . ? 
N8 Sm2 Si3 108.58(11) . . ? 
N6 Sm2 Si3 88.98(11) . . ? 
N7 Sm2 Si3 112.05(11) . . ? 
Si4 Sm2 Si3 53.05(5) . . ? 
N15 Sm3 O3 124.76(14) . . ? 
N15 Sm3 N13 86.34(15) . . ? 
O3 Sm3 N13 79.08(14) . . ? 
N15 Sm3 N14 96.36(15) . . ? 
O3 Sm3 N14 79.09(15) . . ? 
N13 Sm3 N14 155.07(16) . . ? 
N15 Sm3 N12 102.72(15) . . ? 
O3 Sm3 N12 124.50(14) . . ? 
N13 Sm3 N12 135.85(16) . . ? 
N14 Sm3 N12 67.79(17) . . ? 
N15 Sm3 N11 138.71(15) . . ? 
O3 Sm3 N11 82.64(14) . . ? 
N13 Sm3 N11 67.76(15) . . ? 
N14 Sm3 N11 120.82(15) . . ? 
N12 Sm3 N11 78.28(15) . . ? 
N15 Sm3 Si6 26.51(11) . . ? 
O3 Sm3 Si6 103.07(9) . . ? 
N13 Sm3 Si6 96.81(11) . . ? 
N14 Sm3 Si6 76.63(11) . . ? 
N12 Sm3 Si6 110.46(11) . . ? 
N11 Sm3 Si6 162.53(11) . . ? 
N15 Sm3 Si5 26.06(11) . . ? 
O3 Sm3 Si5 143.74(9) . . ? 
N13 Sm3 Si5 78.28(12) . . ? 
N14 Sm3 Si5 113.85(11) . . ? 
N12 Sm3 Si5 91.23(11) . . ? 
N11 Sm3 Si5 113.85(11) . . ? 
Si6 Sm3 Si5 52.54(4) . . ? 
N5 Si1 C31 115.8(3) . . ? 
N5 Si1 C32 110.0(3) . . ? 
C31 Si1 C32 104.6(3) . . ? 
N5 Si1 C33 112.4(3) . . ? 
C31 Si1 C33 106.2(3) . . ? 
C32 Si1 C33 107.3(3) . . ? 
N5 Si1 Sm1 34.91(15) . . ? 
C31 Si1 Sm1 127.87(19) . . ? 
C32 Si1 Sm1 75.14(19) . . ? 
C33 Si1 Sm1 124.0(2) . . ? 
N5 Si2 C35 112.5(3) . . ? 
N5 Si2 C34 107.4(3) . . ? 
C35 Si2 C34 109.9(3) . . ? 
N5 Si2 C36 114.5(3) . . ? 
C35 Si2 C36 106.4(3) . . ? 
C34 Si2 C36 105.7(3) . . ? 
N5 Si2 Sm1 38.57(15) . . ? 
C35 Si2 Sm1 107.5(2) . . ? 
C34 Si2 Sm1 74.0(2) . . ? 
C36 Si2 Sm1 143.7(2) . . ? 
N10 Si3 C72 116.2(3) . . ? 
N10 Si3 C71 109.1(3) . . ? 
C72 Si3 C71 105.3(3) . . ? 
N10 Si3 C73 111.1(3) . . ? 
C72 Si3 C73 106.8(4) . . ? 
C71 Si3 C73 107.9(3) . . ? 
N10 Si3 Sm2 35.67(16) . . ? 
C72 Si3 Sm2 134.9(3) . . ? 
C71 Si3 Sm2 74.3(2) . . ? 
C73 Si3 Sm2 116.3(3) . . ? 
N10 Si4 C74 107.4(3) . . ? 
N10 Si4 C76 112.9(3) . . ? 
C74 Si4 C76 109.7(3) . . ? 
N10 Si4 C75 115.1(3) . . ? 
C74 Si4 C75 106.6(3) . . ? 
C76 Si4 C75 104.9(4) . . ? 
N10 Si4 Sm2 38.00(15) . . ? 
C74 Si4 Sm2 72.9(2) . . ? 
C76 Si4 Sm2 111.3(3) . . ? 
C75 Si4 Sm2 141.7(3) . . ? 
N15 Si5 C112 108.9(3) . . ? 
N15 Si5 C111 112.0(3) . . ? 
C112 Si5 C111 108.1(3) . . ? 
N15 Si5 C113 115.4(3) . . ? 
C112 Si5 C113 104.8(3) . . ? 
C111 Si5 C113 107.2(3) . . ? 
N15 Si5 Sm3 36.30(15) . . ? 
C112 Si5 Sm3 72.7(2) . . ? 
C111 Si5 Sm3 122.9(3) . . ? 
C113 Si5 Sm3 128.3(2) . . ? 
N15 Si6 C115 107.8(3) . . ? 
N15 Si6 C114 112.4(3) . . ? 
C115 Si6 C114 109.6(3) . . ? 
N15 Si6 C116 114.0(3) . . ? 
C115 Si6 C116 106.0(3) . . ? 
C114 Si6 C116 106.8(3) . . ? 
N15 Si6 Sm3 36.69(15) . . ? 
C115 Si6 Sm3 77.1(2) . . ? 
C114 Si6 Sm3 105.6(2) . . ? 
C116 Si6 Sm3 143.9(2) . . ? 
C21 N1 C2 119.2(5) . . ? 
C21 N1 Sm1 114.3(4) . . ? 
C2 N1 Sm1 124.5(3) . . ? 
C26 N2 C12 119.5(5) . . ? 
C26 N2 Sm1 113.0(4) . . ? 
C12 N2 Sm1 122.9(3) . . ? 
C25 N3 C22 105.4(5) . . ? 
C25 N3 Sm1 138.7(4) . . ? 
C22 N3 Sm1 115.2(4) . . ? 
C30 N4 C27 104.7(5) . . ? 
C30 N4 Sm1 141.2(4) . . ? 
C27 N4 Sm1 112.2(4) . . ? 
Si1 N5 Si2 126.5(3) . . ? 
Si1 N5 Sm1 119.8(2) . . ? 
Si2 N5 Sm1 113.3(2) . . ? 
C61 N6 C42 118.8(5) . . ? 
C61 N6 Sm2 113.0(4) . . ? 
C42 N6 Sm2 125.0(3) . . ? 
C66 N7 C52 119.4(5) . . ? 
C66 N7 Sm2 115.7(4) . . ? 
C52 N7 Sm2 121.3(3) . . ? 
C65 N8 C62 103.8(5) . . ? 
C65 N8 Sm2 142.6(4) . . ? 
C62 N8 Sm2 111.2(4) . . ? 
C70 N9 C67 105.3(5) . . ? 
C70 N9 Sm2 138.1(4) . . ? 
C67 N9 Sm2 116.6(4) . . ? 
Si3 N10 Si4 126.7(3) . . ? 
Si3 N10 Sm2 118.6(2) . . ? 
Si4 N10 Sm2 114.7(2) . . ? 
C101 N11 C82 118.3(5) . . ? 
C101 N11 Sm3 112.8(4) . . ? 
C82 N11 Sm3 123.0(3) . . ? 
C106 N12 C92 121.2(5) . . ? 
C106 N12 Sm3 113.1(4) . . ? 
C92 N12 Sm3 123.4(4) . . ? 
C105 N13 C102 105.9(5) . . ? 
C105 N13 Sm3 139.1(4) . . ? 
C102 N13 Sm3 114.2(4) . . ? 
C110 N14 C107 104.0(5) . . ? 
C110 N14 Sm3 141.3(4) . . ? 
C107 N14 Sm3 112.4(4) . . ? 
Si5 N15 Si6 125.4(3) . . ? 
Si5 N15 Sm3 117.6(2) . . ? 
Si6 N15 Sm3 116.8(2) . . ? 
C37 O1 C40 108.7(4) . . ? 
C37 O1 Sm1 128.2(3) . . ? 
C40 O1 Sm1 122.2(3) . . ? 
C80 O2 C77 108.0(4) . . ? 
C80 O2 Sm2 127.1(3) . . ? 
C77 O2 Sm2 124.6(3) . . ? 
C120 O3 C117 105.6(4) . . ? 
C120 O3 Sm3 126.6(3) . . ? 
C117 O3 Sm3 127.5(3) . . ? 
C2 C1 C6 119.2(6) . . ? 
C2 C1 C11 123.0(5) . . ? 
C6 C1 C11 117.8(5) . . ? 
C1 C2 C3 120.7(6) . . ? 
C1 C2 N1 120.4(6) . . ? 
C3 C2 N1 118.9(5) . . ? 
C4 C3 C2 121.4(6) . . ? 
C4 C3 H3 119.3 . . ? 
C2 C3 H3 119.3 . . ? 
C3 C4 C5 120.2(6) . . ? 
C3 C4 H4 119.9 . . ? 
C5 C4 H4 119.9 . . ? 
C10 C5 C4 122.2(6) . . ? 
C10 C5 C6 119.2(6) . . ? 
C4 C5 C6 118.6(6) . . ? 
C7 C6 C5 117.8(5) . . ? 
C7 C6 C1 122.3(6) . . ? 
C5 C6 C1 119.9(5) . . ? 
C8 C7 C6 121.2(6) . . ? 
C8 C7 H7 119.4 . . ? 
C6 C7 H7 119.4 . . ? 
C7 C8 C9 120.8(6) . . ? 
C7 C8 H8 119.6 . . ? 
C9 C8 H8 119.6 . . ? 
C10 C9 C8 119.6(6) . . ? 
C10 C9 H9 120.2 . . ? 
C8 C9 H9 120.2 . . ? 
C9 C10 C5 121.5(6) . . ? 
C9 C10 H10 119.3 . . ? 
C5 C10 H10 119.3 . . ? 
C12 C11 C16 118.9(5) . . ? 
C12 C11 C1 122.0(5) . . ? 
C16 C11 C1 118.9(5) . . ? 
C11 C12 C13 120.3(6) . . ? 
C11 C12 N2 119.7(6) . . ? 
C13 C12 N2 119.8(5) . . ? 
C14 C13 C12 120.7(6) . . ? 
C14 C13 H13 119.6 . . ? 
C12 C13 H13 119.6 . . ? 
C13 C14 C15 121.2(6) . . ? 
C13 C14 H14 119.4 . . ? 
C15 C14 H14 119.4 . . ? 
C14 C15 C16 118.8(6) . . ? 
C14 C15 C20 122.2(6) . . ? 
C16 C15 C20 118.9(6) . . ? 
C15 C16 C11 119.9(5) . . ? 
C15 C16 C17 117.9(6) . . ? 
C11 C16 C17 122.1(6) . . ? 
C18 C17 C16 121.5(6) . . ? 
C18 C17 H17 119.2 . . ? 
C16 C17 H17 119.2 . . ? 
C17 C18 C19 120.5(6) . . ? 
C17 C18 H18 119.8 . . ? 
C19 C18 H18 119.8 . . ? 
C20 C19 C18 120.5(6) . . ? 
C20 C19 H19 119.8 . . ? 
C18 C19 H19 119.8 . . ? 
C19 C20 C15 120.6(6) . . ? 
C19 C20 H20 119.7 . . ? 
C15 C20 H20 119.7 . . ? 
N1 C21 C22 122.4(5) . . ? 
N1 C21 H21 118.8 . . ? 
C22 C21 H21 118.8 . . ? 
C21 C22 N3 119.9(5) . . ? 
C21 C22 C23 130.9(6) . . ? 
N3 C22 C23 109.1(6) . . ? 
C24 C23 C22 107.1(6) . . ? 
C24 C23 H23 126.5 . . ? 
C22 C23 H23 126.5 . . ? 
C23 C24 C25 106.9(6) . . ? 
C23 C24 H24 126.6 . . ? 
C25 C24 H24 126.6 . . ? 
N3 C25 C24 111.6(5) . . ? 
N3 C25 H25 124.2 . . ? 
C24 C25 H25 124.2 . . ? 
N2 C26 C27 121.6(6) . . ? 
N2 C26 H26 119.2 . . ? 
C27 C26 H26 119.2 . . ? 
C28 C27 C26 129.3(6) . . ? 
C28 C27 N4 110.6(6) . . ? 
C26 C27 N4 120.1(5) . . ? 
C29 C28 C27 106.2(6) . . ? 
C29 C28 H28 126.9 . . ? 
C27 C28 H28 126.9 . . ? 
C28 C29 C30 106.4(6) . . ? 
C28 C29 H29 126.8 . . ? 
C30 C29 H29 126.8 . . ? 
N4 C30 C29 112.1(6) . . ? 
N4 C30 H30 124.0 . . ? 
C29 C30 H30 124.0 . . ? 
Si1 C31 H31A 109.5 . . ? 
Si1 C31 H31B 109.5 . . ? 
H31A C31 H31B 109.5 . . ? 
Si1 C31 H31C 109.5 . . ? 
H31A C31 H31C 109.5 . . ? 
H31B C31 H31C 109.5 . . ? 
Si1 C32 H32A 109.5 . . ? 
Si1 C32 H32B 109.5 . . ? 
H32A C32 H32B 109.5 . . ? 
Si1 C32 H32C 109.5 . . ? 
H32A C32 H32C 109.5 . . ? 
H32B C32 H32C 109.5 . . ? 
Si1 C33 H33A 109.5 . . ? 
Si1 C33 H33B 109.5 . . ? 
H33A C33 H33B 109.5 . . ? 
Si1 C33 H33C 109.5 . . ? 
H33A C33 H33C 109.5 . . ? 
H33B C33 H33C 109.5 . . ? 
Si2 C34 H34A 109.5 . . ? 
Si2 C34 H34B 109.5 . . ? 
H34A C34 H34B 109.5 . . ? 
Si2 C34 H34C 109.5 . . ? 
H34A C34 H34C 109.5 . . ? 
H34B C34 H34C 109.5 . . ? 
Si2 C35 H35A 109.5 . . ? 
Si2 C35 H35B 109.5 . . ? 
H35A C35 H35B 109.5 . . ? 
Si2 C35 H35C 109.5 . . ? 
H35A C35 H35C 109.5 . . ? 
H35B C35 H35C 109.5 . . ? 
Si2 C36 H36A 109.5 . . ? 
Si2 C36 H36B 109.5 . . ? 
H36A C36 H36B 109.5 . . ? 
Si2 C36 H36C 109.5 . . ? 
H36A C36 H36C 109.5 . . ? 
H36B C36 H36C 109.5 . . ? 
O1 C37 C38 105.5(5) . . ? 
O1 C37 H37A 110.7 . . ? 
C38 C37 H37A 110.7 . . ? 
O1 C37 H37B 110.7 . . ? 
C38 C37 H37B 110.7 . . ? 
H37A C37 H37B 108.8 . . ? 
C39 C38 C37 102.1(5) . . ? 
C39 C38 H38A 111.4 . . ? 
C37 C38 H38A 111.4 . . ? 
C39 C38 H38B 111.4 . . ? 
C37 C38 H38B 111.4 . . ? 
H38A C38 H38B 109.2 . . ? 
C40 C39 C38 102.4(5) . . ? 
C40 C39 H39A 111.3 . . ? 
C38 C39 H39A 111.3 . . ? 
C40 C39 H39B 111.3 . . ? 
C38 C39 H39B 111.3 . . ? 
H39A C39 H39B 109.2 . . ? 
O1 C40 C39 106.4(5) . . ? 
O1 C40 H40A 110.5 . . ? 
C39 C40 H40A 110.5 . . ? 
O1 C40 H40B 110.5 . . ? 
C39 C40 H40B 110.5 . . ? 
H40A C40 H40B 108.6 . . ? 
C42 C41 C46 119.0(5) . . ? 
C42 C41 C51 121.8(5) . . ? 
C46 C41 C51 119.1(5) . . ? 
C41 C42 C43 120.8(6) . . ? 
C41 C42 N6 119.3(5) . . ? 
C43 C42 N6 119.8(5) . . ? 
C44 C43 C42 120.5(5) . . ? 
C44 C43 H43 119.7 . . ? 
C42 C43 H43 119.7 . . ? 
C43 C44 C45 120.8(6) . . ? 
C43 C44 H44 119.6 . . ? 
C45 C44 H44 119.6 . . ? 
C44 C45 C46 118.9(5) . . ? 
C44 C45 C50 121.5(6) . . ? 
C46 C45 C50 119.6(6) . . ? 
C45 C46 C47 118.3(5) . . ? 
C45 C46 C41 119.9(5) . . ? 
C47 C46 C41 121.8(6) . . ? 
C48 C47 C46 121.3(6) . . ? 
C48 C47 H47 119.4 . . ? 
C46 C47 H47 119.4 . . ? 
C47 C48 C49 120.4(6) . . ? 
C47 C48 H48 119.8 . . ? 
C49 C48 H48 119.8 . . ? 
C50 C49 C48 119.9(6) . . ? 
C50 C49 H49 120.0 . . ? 
C48 C49 H49 120.0 . . ? 
C49 C50 C45 120.5(6) . . ? 
C49 C50 H50 119.8 . . ? 
C45 C50 H50 119.8 . . ? 
C52 C51 C56 119.1(6) . . ? 
C52 C51 C41 122.9(6) . . ? 
C56 C51 C41 117.9(5) . . ? 
C51 C52 C53 120.7(6) . . ? 
C51 C52 N7 120.5(6) . . ? 
C53 C52 N7 118.7(6) . . ? 
C54 C53 C52 121.5(6) . . ? 
C54 C53 H53 119.3 . . ? 
C52 C53 H53 119.3 . . ? 
C53 C54 C55 120.0(6) . . ? 
C53 C54 H54 120.0 . . ? 
C55 C54 H54 120.0 . . ? 
C54 C55 C56 119.3(6) . . ? 
C54 C55 C60 122.3(7) . . ? 
C56 C55 C60 118.4(6) . . ? 
C57 C56 C55 118.4(6) . . ? 
C57 C56 C51 122.3(6) . . ? 
C55 C56 C51 119.3(6) . . ? 
C58 C57 C56 121.6(6) . . ? 
C58 C57 H57 119.2 . . ? 
C56 C57 H57 119.2 . . ? 
C57 C58 C59 119.5(6) . . ? 
C57 C58 H58 120.2 . . ? 
C59 C58 H58 120.2 . . ? 
C60 C59 C58 121.1(7) . . ? 
C60 C59 H59 119.5 . . ? 
C58 C59 H59 119.5 . . ? 
C59 C60 C55 121.0(7) . . ? 
C59 C60 H60 119.5 . . ? 
C55 C60 H60 119.5 . . ? 
N6 C61 C62 122.0(5) . . ? 
N6 C61 H61 119.0 . . ? 
C62 C61 H61 119.0 . . ? 
C63 C62 C61 128.7(6) . . ? 
C63 C62 N8 111.0(6) . . ? 
C61 C62 N8 120.2(5) . . ? 
C64 C63 C62 106.0(6) . . ? 
C64 C63 H63 127.0 . . ? 
C62 C63 H63 127.0 . . ? 
C63 C64 C65 106.7(6) . . ? 
C63 C64 H64 126.6 . . ? 
C65 C64 H64 126.6 . . ? 
N8 C65 C64 112.3(6) . . ? 
N8 C65 H65 123.8 . . ? 
C64 C65 H65 123.8 . . ? 
N7 C66 C67 121.5(6) . . ? 
N7 C66 H66 119.3 . . ? 
C67 C66 H66 119.3 . . ? 
C68 C67 N9 110.5(6) . . ? 
C68 C67 C66 130.6(6) . . ? 
N9 C67 C66 118.9(5) . . ? 
C67 C68 C69 106.8(6) . . ? 
C67 C68 H68 126.6 . . ? 
C69 C68 H68 126.6 . . ? 
C70 C69 C68 104.9(6) . . ? 
C70 C69 H69 127.5 . . ? 
C68 C69 H69 127.5 . . ? 
N9 C70 C69 112.5(6) . . ? 
N9 C70 H70 123.8 . . ? 
C69 C70 H70 123.8 . . ? 
Si3 C71 H71A 109.5 . . ? 
Si3 C71 H71B 109.5 . . ? 
H71A C71 H71B 109.5 . . ? 
Si3 C71 H71C 109.5 . . ? 
H71A C71 H71C 109.5 . . ? 
H71B C71 H71C 109.5 . . ? 
Si3 C72 H72A 109.5 . . ? 
Si3 C72 H72B 109.5 . . ? 
H72A C72 H72B 109.5 . . ? 
Si3 C72 H72C 109.5 . . ? 
H72A C72 H72C 109.5 . . ? 
H72B C72 H72C 109.5 . . ? 
Si3 C73 H73A 109.5 . . ? 
Si3 C73 H73B 109.5 . . ? 
H73A C73 H73B 109.5 . . ? 
Si3 C73 H73C 109.5 . . ? 
H73A C73 H73C 109.5 . . ? 
H73B C73 H73C 109.5 . . ? 
Si4 C74 H74A 109.5 . . ? 
Si4 C74 H74B 109.5 . . ? 
H74A C74 H74B 109.5 . . ? 
Si4 C74 H74C 109.5 . . ? 
H74A C74 H74C 109.5 . . ? 
H74B C74 H74C 109.5 . . ? 
Si4 C75 H75A 109.5 . . ? 
Si4 C75 H75B 109.5 . . ? 
H75A C75 H75B 109.5 . . ? 
Si4 C75 H75C 109.5 . . ? 
H75A C75 H75C 109.5 . . ? 
H75B C75 H75C 109.5 . . ? 
Si4 C76 H76A 109.5 . . ? 
Si4 C76 H76B 109.5 . . ? 
H76A C76 H76B 109.5 . . ? 
Si4 C76 H76C 109.5 . . ? 
H76A C76 H76C 109.5 . . ? 
H76B C76 H76C 109.5 . . ? 
O2 C77 C78 105.2(5) . . ? 
O2 C77 H77A 110.7 . . ? 
C78 C77 H77A 110.7 . . ? 
O2 C77 H77B 110.7 . . ? 
C78 C77 H77B 110.7 . . ? 
H77A C77 H77B 108.8 . . ? 
C77 C78 C79 102.5(5) . . ? 
C77 C78 H78A 111.3 . . ? 
C79 C78 H78A 111.3 . . ? 
C77 C78 H78B 111.3 . . ? 
C79 C78 H78B 111.3 . . ? 
H78A C78 H78B 109.2 . . ? 
C80 C79 C78 104.1(5) . . ? 
C80 C79 H79A 110.9 . . ? 
C78 C79 H79A 110.9 . . ? 
C80 C79 H79B 110.9 . . ? 
C78 C79 H79B 110.9 . . ? 
H79A C79 H79B 108.9 . . ? 
O2 C80 C79 106.7(5) . . ? 
O2 C80 H80A 110.4 . . ? 
C79 C80 H80A 110.4 . . ? 
O2 C80 H80B 110.4 . . ? 
C79 C80 H80B 110.4 . . ? 
H80A C80 H80B 108.6 . . ? 
C82 C81 C86 118.6(6) . . ? 
C82 C81 C91 124.1(6) . . ? 
C86 C81 C91 117.1(5) . . ? 
C81 C82 C83 119.7(6) . . ? 
C81 C82 N11 119.0(6) . . ? 
C83 C82 N11 121.2(5) . . ? 
C84 C83 C82 122.1(6) . . ? 
C84 C83 H83 118.9 . . ? 
C82 C83 H83 118.9 . . ? 
C83 C84 C85 120.5(6) . . ? 
C83 C84 H84 119.8 . . ? 
C85 C84 H84 119.8 . . ? 
C86 C85 C90 120.1(6) . . ? 
C86 C85 C84 118.2(6) . . ? 
C90 C85 C84 121.7(6) . . ? 
C85 C86 C87 117.7(6) . . ? 
C85 C86 C81 120.6(6) . . ? 
C87 C86 C81 121.7(6) . . ? 
C88 C87 C86 121.2(6) . . ? 
C88 C87 H87 119.4 . . ? 
C86 C87 H87 119.4 . . ? 
C87 C88 C89 120.9(6) . . ? 
C87 C88 H88 119.5 . . ? 
C89 C88 H88 119.5 . . ? 
C90 C89 C88 119.8(6) . . ? 
C90 C89 H89 120.1 . . ? 
C88 C89 H89 120.1 . . ? 
C89 C90 C85 120.3(6) . . ? 
C89 C90 H90 119.9 . . ? 
C85 C90 H90 119.9 . . ? 
C92 C91 C96 120.0(6) . . ? 
C92 C91 C81 122.0(5) . . ? 
C96 C91 C81 117.6(5) . . ? 
C91 C92 C93 120.1(6) . . ? 
C91 C92 N12 119.9(6) . . ? 
C93 C92 N12 120.0(5) . . ? 
C94 C93 C92 120.4(6) . . ? 
C94 C93 H93 119.8 . . ? 
C92 C93 H93 119.8 . . ? 
C93 C94 C95 121.6(6) . . ? 
C93 C94 H94 119.2 . . ? 
C95 C94 H94 119.2 . . ? 
C94 C95 C100 123.7(6) . . ? 
C94 C95 C96 118.1(6) . . ? 
C100 C95 C96 118.2(6) . . ? 
C91 C96 C95 119.7(5) . . ? 
C91 C96 C97 123.0(6) . . ? 
C95 C96 C97 117.4(6) . . ? 
C98 C97 C96 121.9(6) . . ? 
C98 C97 H97 119.1 . . ? 
C96 C97 H97 119.1 . . ? 
C97 C98 C99 120.7(6) . . ? 
C97 C98 H98 119.6 . . ? 
C99 C98 H98 119.6 . . ? 
C100 C99 C98 118.8(6) . . ? 
C100 C99 H99 120.6 . . ? 
C98 C99 H99 120.6 . . ? 
C99 C100 C95 123.0(6) . . ? 
C99 C100 H100 118.5 . . ? 
C95 C100 H100 118.5 . . ? 
N11 C101 C102 122.4(5) . . ? 
N11 C101 H101 118.8 . . ? 
C102 C101 H101 118.8 . . ? 
C101 C102 N13 120.8(5) . . ? 
C101 C102 C103 130.7(5) . . ? 
N13 C102 C103 108.5(5) . . ? 
C104 C103 C102 107.3(6) . . ? 
C104 C103 H103 126.3 . . ? 
C102 C103 H103 126.3 . . ? 
C103 C104 C105 106.0(6) . . ? 
C103 C104 H104 127.0 . . ? 
C105 C104 H104 127.0 . . ? 
N13 C105 C104 112.3(5) . . ? 
N13 C105 H105 123.8 . . ? 
C104 C105 H105 123.8 . . ? 
N12 C106 C107 122.3(6) . . ? 
N12 C106 H106 118.9 . . ? 
C107 C106 H106 118.9 . . ? 
C106 C107 C108 130.7(6) . . ? 
C106 C107 N14 119.2(5) . . ? 
C108 C107 N14 110.1(6) . . ? 
C109 C108 C107 106.9(6) . . ? 
C109 C108 H108 126.6 . . ? 
C107 C108 H108 126.5 . . ? 
C110 C109 C108 105.4(6) . . ? 
C110 C109 H109 127.3 . . ? 
C108 C109 H109 127.3 . . ? 
N14 C110 C109 113.6(6) . . ? 
N14 C110 H110 123.2 . . ? 
C109 C110 H110 123.2 . . ? 
Si5 C111 H11A 109.5 . . ? 
Si5 C111 H11B 109.5 . . ? 
H11A C111 H11B 109.5 . . ? 
Si5 C111 H11C 109.5 . . ? 
H11A C111 H11C 109.5 . . ? 
H11B C111 H11C 109.5 . . ? 
Si5 C112 H11D 109.5 . . ? 
Si5 C112 H11E 109.5 . . ? 
H11D C112 H11E 109.5 . . ? 
Si5 C112 H11F 109.5 . . ? 
H11D C112 H11F 109.5 . . ? 
H11E C112 H11F 109.5 . . ? 
Si5 C113 H11G 109.5 . . ? 
Si5 C113 H11H 109.5 . . ? 
H11G C113 H11H 109.5 . . ? 
Si5 C113 H11I 109.5 . . ? 
H11G C113 H11I 109.5 . . ? 
H11H C113 H11I 109.5 . . ? 
Si6 C114 H11J 109.5 . . ? 
Si6 C114 H11K 109.5 . . ? 
H11J C114 H11K 109.5 . . ? 
Si6 C114 H11L 109.5 . . ? 
H11J C114 H11L 109.5 . . ? 
H11K C114 H11L 109.5 . . ? 
Si6 C115 H11M 109.5 . . ? 
Si6 C115 H11N 109.5 . . ? 
H11M C115 H11N 109.5 . . ? 
Si6 C115 H11O 109.5 . . ? 
H11M C115 H11O 109.5 . . ? 
H11N C115 H11O 109.5 . . ? 
Si6 C116 H11P 109.5 . . ? 
Si6 C116 H11Q 109.5 . . ? 
H11P C116 H11Q 109.5 . . ? 
Si6 C116 H11R 109.5 . . ? 
H11P C116 H11R 109.5 . . ? 
H11Q C116 H11R 109.5 . . ? 
O3 C117 C118 103.8(4) . . ? 
O3 C117 H11S 111.0 . . ? 
C118 C117 H11S 111.0 . . ? 
O3 C117 H11T 111.0 . . ? 
C118 C117 H11T 111.0 . . ? 
H11S C117 H11T 109.0 . . ? 
C119 C118 C117 105.2(5) . . ? 
C119 C118 H11U 110.7 . . ? 
C117 C118 H11U 110.7 . . ? 
C119 C118 H11V 110.7 . . ? 
C117 C118 H11V 110.7 . . ? 
H11U C118 H11V 108.8 . . ? 
C120 C119 C118 105.2(5) . . ? 
C120 C119 H11W 110.7 . . ? 
C118 C119 H11W 110.7 . . ? 
C120 C119 H11$ 110.7 . . ? 
C118 C119 H11$ 110.7 . . ? 
H11W C119 H11$ 108.8 . . ? 
O3 C120 C119 104.3(4) . . ? 
O3 C120 H12A 110.9 . . ? 
C119 C120 H12A 110.9 . . ? 
O3 C120 H12B 110.9 . . ? 
C119 C120 H12B 110.9 . . ? 
H12A C120 H12B 108.9 . . ? 
C122 C121 H12C 109.5 . . ? 
C122 C121 H12D 109.5 . . ? 
H12C C121 H12D 109.5 . . ? 
C122 C121 H12E 109.5 . . ? 
H12C C121 H12E 109.5 . . ? 
H12D C121 H12E 109.5 . . ? 
C123 C122 C127 117.7(7) . . ? 
C123 C122 C121 121.8(7) . . ? 
C127 C122 C121 120.6(7) . . ? 
C122 C123 C124 122.3(6) . . ? 
C122 C123 H123 118.8 . . ? 
C124 C123 H123 118.8 . . ? 
C123 C124 C125 119.3(7) . . ? 
C123 C124 H124 120.4 . . ? 
C125 C124 H124 120.4 . . ? 
C126 C125 C124 119.8(7) . . ? 
C126 C125 H125 120.1 . . ? 
C124 C125 H125 120.1 . . ? 
C125 C126 C127 119.6(7) . . ? 
C125 C126 H126 120.2 . . ? 
C127 C126 H126 120.2 . . ? 
C126 C127 C122 121.2(7) . . ? 
C126 C127 H127 119.4 . . ? 
C122 C127 H127 119.4 . . ? 
C129 C128 H12F 109.5 . . ? 
C129 C128 H12G 109.5 . . ? 
H12F C128 H12G 109.5 . . ? 
C129 C128 H12H 109.5 . . ? 
H12F C128 H12H 109.5 . . ? 
H12G C128 H12H 109.5 . . ? 
C130 C129 C134 117.7(6) . . ? 
C130 C129 C128 122.4(7) . . ? 
C134 C129 C128 119.8(6) . . ? 
C131 C130 C129 121.3(6) . . ? 
C131 C130 H130 119.3 . . ? 
C129 C130 H130 119.3 . . ? 
C132 C131 C130 120.5(7) . . ? 
C132 C131 H131 119.8 . . ? 
C130 C131 H131 119.8 . . ? 
C131 C132 C133 119.2(7) . . ? 
C131 C132 H132 120.4 . . ? 
C133 C132 H132 120.4 . . ? 
C132 C133 C134 121.7(7) . . ? 
C132 C133 H133 119.2 . . ? 
C134 C133 H133 119.2 . . ? 
C133 C134 C129 119.6(6) . . ? 
C133 C134 H134 120.2 . . ? 
C129 C134 H134 120.2 . . ? 
C136 C135 H13A 109.5 . . ? 
C136 C135 H13B 109.5 . . ? 
H13A C135 H13B 109.5 . . ? 
C136 C135 H13C 109.5 . . ? 
H13A C135 H13C 109.5 . . ? 
H13B C135 H13C 109.5 . . ? 
C137 C136 C141 120.0 . . ? 
C137 C136 C135 120.0(8) . . ? 
C141 C136 C135 120.0(8) . . ? 
C136 C137 C138 120.0 . . ? 
C136 C137 H13D 120.0 . . ? 
C138 C137 H13D 120.0 . . ? 
C137 C138 C139 120.0 . . ? 
C137 C138 H13E 120.0 . . ? 
C139 C138 H13E 120.0 . . ? 
C140 C139 C138 120.0 . . ? 
C140 C139 H13F 120.0 . . ? 
C138 C139 H13F 120.0 . . ? 
C139 C140 C141 120.0 . . ? 
C139 C140 H14A 120.0 . . ? 
C141 C140 H14A 120.0 . . ? 
C140 C141 C136 120.0 . . ? 
C140 C141 H14B 120.0 . . ? 
C136 C141 H14B 120.0 . . ? 
C143 C142 H14C 109.5 . . ? 
C143 C142 H14D 109.5 . . ? 
H14C C142 H14D 109.5 . . ? 
C143 C142 H14E 109.5 . . ? 
H14C C142 H14E 109.5 . . ? 
H14D C142 H14E 109.5 . . ? 
C144 C143 C148 120.0 . . ? 
C144 C143 C142 119.1(16) . . ? 
C148 C143 C142 120.7(16) . . ? 
C145 C144 C143 120.0 . . ? 
C145 C144 H14F 120.0 . . ? 
C143 C144 H14F 120.0 . . ? 
C144 C145 C146 120.0 . . ? 
C144 C145 H14G 120.0 . . ? 
C146 C145 H14G 120.0 . . ? 
C147 C146 C145 120.0 . . ? 
C147 C146 H14H 120.0 . . ? 
C145 C146 H14H 120.0 . . ? 
C146 C147 C148 120.0 . . ? 
C146 C147 H14I 120.0 . . ? 
C148 C147 H14I 120.0 . . ? 
C147 C148 C143 120.0 . . ? 
C147 C148 H14J 120.0 . . ? 
C143 C148 H14J 120.0 . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
O1 Sm1 Si1 N5 -67.6(3) . . . . ? 
N3 Sm1 Si1 N5 -110.9(3) . . . . ? 
N4 Sm1 Si1 N5 45.3(3) . . . . ? 
N2 Sm1 Si1 N5 111.6(3) . . . . ? 
N1 Sm1 Si1 N5 -171.6(3) . . . . ? 
Si2 Sm1 Si1 N5 -3.5(3) . . . . ? 
N5 Sm1 Si1 C31 81.3(4) . . . . ? 
O1 Sm1 Si1 C31 13.7(3) . . . . ? 
N3 Sm1 Si1 C31 -29.7(3) . . . . ? 
N4 Sm1 Si1 C31 126.5(3) . . . . ? 
N2 Sm1 Si1 C31 -167.2(3) . . . . ? 
N1 Sm1 Si1 C31 -90.3(3) . . . . ? 
Si2 Sm1 Si1 C31 77.7(3) . . . . ? 
N5 Sm1 Si1 C32 178.4(3) . . . . ? 
O1 Sm1 Si1 C32 110.8(3) . . . . ? 
N3 Sm1 Si1 C32 67.4(2) . . . . ? 
N4 Sm1 Si1 C32 -136.3(2) . . . . ? 
N2 Sm1 Si1 C32 -70.1(2) . . . . ? 
N1 Sm1 Si1 C32 6.8(2) . . . . ? 
Si2 Sm1 Si1 C32 174.9(2) . . . . ? 
N5 Sm1 Si1 C33 -80.5(4) . . . . ? 
O1 Sm1 Si1 C33 -148.1(3) . . . . ? 
N3 Sm1 Si1 C33 168.5(3) . . . . ? 
N4 Sm1 Si1 C33 -35.3(3) . . . . ? 
N2 Sm1 Si1 C33 31.0(3) . . . . ? 
N1 Sm1 Si1 C33 107.9(3) . . . . ? 
Si2 Sm1 Si1 C33 -84.1(3) . . . . ? 
O1 Sm1 Si2 N5 152.6(3) . . . . ? 
N3 Sm1 Si2 N5 70.9(3) . . . . ? 
N4 Sm1 Si2 N5 -132.8(3) . . . . ? 
N2 Sm1 Si2 N5 -72.1(3) . . . . ? 
N1 Sm1 Si2 N5 34.8(4) . . . . ? 
Si1 Sm1 Si2 N5 3.2(2) . . . . ? 
N5 Sm1 Si2 C35 104.4(3) . . . . ? 
O1 Sm1 Si2 C35 -103.0(3) . . . . ? 
N3 Sm1 Si2 C35 175.3(3) . . . . ? 
N4 Sm1 Si2 C35 -28.4(3) . . . . ? 
N2 Sm1 Si2 C35 32.3(3) . . . . ? 
N1 Sm1 Si2 C35 139.2(4) . . . . ? 
Si1 Sm1 Si2 C35 107.6(2) . . . . ? 
N5 Sm1 Si2 C34 -149.3(3) . . . . ? 
O1 Sm1 Si2 C34 3.3(2) . . . . ? 
N3 Sm1 Si2 C34 -78.4(2) . . . . ? 
N4 Sm1 Si2 C34 77.9(3) . . . . ? 
N2 Sm1 Si2 C34 138.6(3) . . . . ? 
N1 Sm1 Si2 C34 -114.5(3) . . . . ? 
Si1 Sm1 Si2 C34 -146.1(2) . . . . ? 
N5 Sm1 Si2 C36 -54.3(4) . . . . ? 
O1 Sm1 Si2 C36 98.2(4) . . . . ? 
N3 Sm1 Si2 C36 16.6(4) . . . . ? 
N4 Sm1 Si2 C36 172.8(4) . . . . ? 
N2 Sm1 Si2 C36 -126.5(4) . . . . ? 
N1 Sm1 Si2 C36 -19.6(5) . . . . ? 
Si1 Sm1 Si2 C36 -51.1(4) . . . . ? 
O2 Sm2 Si3 N10 -49.7(3) . . . . ? 
N9 Sm2 Si3 N10 -101.7(3) . . . . ? 
N8 Sm2 Si3 N10 55.9(3) . . . . ? 
N6 Sm2 Si3 N10 123.1(3) . . . . ? 
N7 Sm2 Si3 N10 -160.6(3) . . . . ? 
Si4 Sm2 Si3 N10 -1.4(3) . . . . ? 
N10 Sm2 Si3 C72 71.3(5) . . . . ? 
O2 Sm2 Si3 C72 21.6(4) . . . . ? 
N9 Sm2 Si3 C72 -30.4(4) . . . . ? 
N8 Sm2 Si3 C72 127.2(4) . . . . ? 
N6 Sm2 Si3 C72 -165.6(4) . . . . ? 
N7 Sm2 Si3 C72 -89.3(4) . . . . ? 
Si4 Sm2 Si3 C72 69.9(4) . . . . ? 
N10 Sm2 Si3 C71 167.4(4) . . . . ? 
O2 Sm2 Si3 C71 117.7(3) . . . . ? 
N9 Sm2 Si3 C71 65.7(2) . . . . ? 
N8 Sm2 Si3 C71 -136.6(2) . . . . ? 
N6 Sm2 Si3 C71 -69.5(2) . . . . ? 
N7 Sm2 Si3 C71 6.9(2) . . . . ? 
Si4 Sm2 Si3 C71 166.0(2) . . . . ? 
N10 Sm2 Si3 C73 -90.0(4) . . . . ? 
O2 Sm2 Si3 C73 -139.7(3) . . . . ? 
N9 Sm2 Si3 C73 168.3(3) . . . . ? 
N8 Sm2 Si3 C73 -34.0(3) . . . . ? 
N6 Sm2 Si3 C73 33.1(3) . . . . ? 
N7 Sm2 Si3 C73 109.5(3) . . . . ? 
Si4 Sm2 Si3 C73 -91.4(3) . . . . ? 
O2 Sm2 Si4 N10 160.1(3) . . . . ? 
N9 Sm2 Si4 N10 76.0(3) . . . . ? 
N8 Sm2 Si4 N10 -123.8(3) . . . . ? 
N6 Sm2 Si4 N10 -65.4(3) . . . . ? 
N7 Sm2 Si4 N10 57.5(4) . . . . ? 
Si3 Sm2 Si4 N10 1.3(2) . . . . ? 
N10 Sm2 Si4 C74 -154.7(4) . . . . ? 
O2 Sm2 Si4 C74 5.5(3) . . . . ? 
N9 Sm2 Si4 C74 -78.6(3) . . . . ? 
N8 Sm2 Si4 C74 81.5(3) . . . . ? 
N6 Sm2 Si4 C74 139.9(3) . . . . ? 
N7 Sm2 Si4 C74 -97.2(4) . . . . ? 
Si3 Sm2 Si4 C74 -153.4(3) . . . . ? 
N10 Sm2 Si4 C76 100.4(4) . . . . ? 
O2 Sm2 Si4 C76 -99.5(3) . . . . ? 
N9 Sm2 Si4 C76 176.4(3) . . . . ? 
N8 Sm2 Si4 C76 -23.5(3) . . . . ? 
N6 Sm2 Si4 C76 34.9(3) . . . . ? 
N7 Sm2 Si4 C76 157.9(4) . . . . ? 
Si3 Sm2 Si4 C76 101.7(3) . . . . ? 
N10 Sm2 Si4 C75 -59.4(5) . . . . ? 
O2 Sm2 Si4 C75 100.7(4) . . . . ? 
N9 Sm2 Si4 C75 16.6(4) . . . . ? 
N8 Sm2 Si4 C75 176.7(4) . . . . ? 
N6 Sm2 Si4 C75 -124.9(4) . . . . ? 
N7 Sm2 Si4 C75 -1.9(5) . . . . ? 
Si3 Sm2 Si4 C75 -58.1(4) . . . . ? 
O3 Sm3 Si5 N15 -53.6(3) . . . . ? 
N13 Sm3 Si5 N15 -106.0(3) . . . . ? 
N14 Sm3 Si5 N15 51.1(3) . . . . ? 
N12 Sm3 Si5 N15 117.2(3) . . . . ? 
N11 Sm3 Si5 N15 -165.1(3) . . . . ? 
Si6 Sm3 Si5 N15 2.1(2) . . . . ? 
N15 Sm3 Si5 C112 176.5(3) . . . . ? 
O3 Sm3 Si5 C112 123.0(3) . . . . ? 
N13 Sm3 Si5 C112 70.5(2) . . . . ? 
N14 Sm3 Si5 C112 -132.4(2) . . . . ? 
N12 Sm3 Si5 C112 -66.2(2) . . . . ? 
N11 Sm3 Si5 C112 11.5(2) . . . . ? 
Si6 Sm3 Si5 C112 178.7(2) . . . . ? 
N15 Sm3 Si5 C111 -82.7(4) . . . . ? 
O3 Sm3 Si5 C111 -136.3(3) . . . . ? 
N13 Sm3 Si5 C111 171.3(3) . . . . ? 
N14 Sm3 Si5 C111 -31.7(3) . . . . ? 
N12 Sm3 Si5 C111 34.5(3) . . . . ? 
N11 Sm3 Si5 C111 112.2(3) . . . . ? 
Si6 Sm3 Si5 C111 -80.6(3) . . . . ? 
N15 Sm3 Si5 C113 81.1(4) . . . . ? 
O3 Sm3 Si5 C113 27.5(3) . . . . ? 
N13 Sm3 Si5 C113 -24.9(3) . . . . ? 
N14 Sm3 Si5 C113 132.2(3) . . . . ? 
N12 Sm3 Si5 C113 -161.7(3) . . . . ? 
N11 Sm3 Si5 C113 -83.9(3) . . . . ? 
Si6 Sm3 Si5 C113 83.3(3) . . . . ? 
O3 Sm3 Si6 N15 147.8(3) . . . . ? 
N13 Sm3 Si6 N15 67.4(3) . . . . ? 
N14 Sm3 Si6 N15 -137.0(3) . . . . ? 
N12 Sm3 Si6 N15 -77.2(3) . . . . ? 
N11 Sm3 Si6 N15 40.3(5) . . . . ? 
Si5 Sm3 Si6 N15 -2.1(2) . . . . ? 
N15 Sm3 Si6 C115 -146.3(3) . . . . ? 
O3 Sm3 Si6 C115 1.5(2) . . . . ? 
N13 Sm3 Si6 C115 -78.9(2) . . . . ? 
N14 Sm3 Si6 C115 76.7(2) . . . . ? 
N12 Sm3 Si6 C115 136.5(2) . . . . ? 
N11 Sm3 Si6 C115 -106.0(4) . . . . ? 
Si5 Sm3 Si6 C115 -148.4(2) . . . . ? 
N15 Sm3 Si6 C114 106.6(3) . . . . ? 
O3 Sm3 Si6 C114 -105.6(2) . . . . ? 
N13 Sm3 Si6 C114 174.0(3) . . . . ? 
N14 Sm3 Si6 C114 -30.4(3) . . . . ? 
N12 Sm3 Si6 C114 29.4(3) . . . . ? 
N11 Sm3 Si6 C114 146.9(4) . . . . ? 
Si5 Sm3 Si6 C114 104.5(2) . . . . ? 
N15 Sm3 Si6 C116 -46.8(4) . . . . ? 
O3 Sm3 Si6 C116 101.0(4) . . . . ? 
N13 Sm3 Si6 C116 20.7(4) . . . . ? 
N14 Sm3 Si6 C116 176.2(4) . . . . ? 
N12 Sm3 Si6 C116 -124.0(4) . . . . ? 
N11 Sm3 Si6 C116 -6.4(5) . . . . ? 
Si5 Sm3 Si6 C116 -48.9(4) . . . . ? 
N5 Sm1 N1 C21 62.6(5) . . . . ? 
O1 Sm1 N1 C21 -80.8(4) . . . . ? 
N3 Sm1 N1 C21 2.0(4) . . . . ? 
N4 Sm1 N1 C21 -153.3(4) . . . . ? 
N2 Sm1 N1 C21 154.7(4) . . . . ? 
Si2 Sm1 N1 C21 41.4(6) . . . . ? 
Si1 Sm1 N1 C21 67.5(4) . . . . ? 
N5 Sm1 N1 C2 -133.6(4) . . . . ? 
O1 Sm1 N1 C2 83.0(4) . . . . ? 
N3 Sm1 N1 C2 165.8(5) . . . . ? 
N4 Sm1 N1 C2 10.5(5) . . . . ? 
N2 Sm1 N1 C2 -41.6(4) . . . . ? 
Si2 Sm1 N1 C2 -154.9(4) . . . . ? 
Si1 Sm1 N1 C2 -128.8(4) . . . . ? 
N5 Sm1 N2 C26 -75.0(4) . . . . ? 
O1 Sm1 N2 C26 80.6(4) . . . . ? 
N3 Sm1 N2 C26 -168.5(4) . . . . ? 
N4 Sm1 N2 C26 18.5(4) . . . . ? 
N1 Sm1 N2 C26 153.8(4) . . . . ? 
Si2 Sm1 N2 C26 -48.0(4) . . . . ? 
Si1 Sm1 N2 C26 -98.8(4) . . . . ? 
N5 Sm1 N2 C12 80.6(4) . . . . ? 
O1 Sm1 N2 C12 -123.8(4) . . . . ? 
N3 Sm1 N2 C12 -12.9(5) . . . . ? 
N4 Sm1 N2 C12 174.1(5) . . . . ? 
N1 Sm1 N2 C12 -50.6(4) . . . . ? 
Si2 Sm1 N2 C12 107.7(4) . . . . ? 
Si1 Sm1 N2 C12 56.8(4) . . . . ? 
N5 Sm1 N3 C25 30.2(6) . . . . ? 
O1 Sm1 N3 C25 -104.3(6) . . . . ? 
N4 Sm1 N3 C25 -66.0(7) . . . . ? 
N2 Sm1 N3 C25 129.7(5) . . . . ? 
N1 Sm1 N3 C25 169.7(6) . . . . ? 
Si2 Sm1 N3 C25 3.6(6) . . . . ? 
Si1 Sm1 N3 C25 53.8(6) . . . . ? 
N5 Sm1 N3 C22 -138.4(4) . . . . ? 
O1 Sm1 N3 C22 87.1(4) . . . . ? 
N4 Sm1 N3 C22 125.4(4) . . . . ? 
N2 Sm1 N3 C22 -38.9(5) . . . . ? 
N1 Sm1 N3 C22 1.1(4) . . . . ? 
Si2 Sm1 N3 C22 -164.9(4) . . . . ? 
Si1 Sm1 N3 C22 -114.8(4) . . . . ? 
N5 Sm1 N4 C30 -79.2(7) . . . . ? 
O1 Sm1 N4 C30 52.8(6) . . . . ? 
N3 Sm1 N4 C30 14.4(9) . . . . ? 
N2 Sm1 N4 C30 -177.3(7) . . . . ? 
N1 Sm1 N4 C30 126.8(6) . . . . ? 
Si2 Sm1 N4 C30 -58.8(6) . . . . ? 
Si1 Sm1 N4 C30 -97.0(7) . . . . ? 
N5 Sm1 N4 C27 81.3(4) . . . . ? 
O1 Sm1 N4 C27 -146.7(4) . . . . ? 
N3 Sm1 N4 C27 174.9(4) . . . . ? 
N2 Sm1 N4 C27 -16.8(3) . . . . ? 
N1 Sm1 N4 C27 -72.7(4) . . . . ? 
Si2 Sm1 N4 C27 101.7(4) . . . . ? 
Si1 Sm1 N4 C27 63.5(4) . . . . ? 
C31 Si1 N5 Si2 53.2(4) . . . . ? 
C32 Si1 N5 Si2 171.5(3) . . . . ? 
C33 Si1 N5 Si2 -69.0(4) . . . . ? 
Sm1 Si1 N5 Si2 173.1(5) . . . . ? 
C31 Si1 N5 Sm1 -120.0(3) . . . . ? 
C32 Si1 N5 Sm1 -1.7(4) . . . . ? 
C33 Si1 N5 Sm1 117.8(3) . . . . ? 
C35 Si2 N5 Si1 96.3(4) . . . . ? 
C34 Si2 N5 Si1 -142.5(4) . . . . ? 
C36 Si2 N5 Si1 -25.4(4) . . . . ? 
Sm1 Si2 N5 Si1 -173.5(5) . . . . ? 
C35 Si2 N5 Sm1 -90.2(3) . . . . ? 
C34 Si2 N5 Sm1 31.0(3) . . . . ? 
C36 Si2 N5 Sm1 148.1(3) . . . . ? 
O1 Sm1 N5 Si1 137.7(2) . . . . ? 
N3 Sm1 N5 Si1 65.0(3) . . . . ? 
N4 Sm1 N5 Si1 -139.8(3) . . . . ? 
N2 Sm1 N5 Si1 -70.8(3) . . . . ? 
N1 Sm1 N5 Si1 10.9(4) . . . . ? 
Si2 Sm1 N5 Si1 174.0(4) . . . . ? 
O1 Sm1 N5 Si2 -36.3(3) . . . . ? 
N3 Sm1 N5 Si2 -109.0(2) . . . . ? 
N4 Sm1 N5 Si2 46.2(3) . . . . ? 
N2 Sm1 N5 Si2 115.2(2) . . . . ? 
N1 Sm1 N5 Si2 -163.10(19) . . . . ? 
Si1 Sm1 N5 Si2 -174.0(4) . . . . ? 
N10 Sm2 N6 C61 -70.7(4) . . . . ? 
O2 Sm2 N6 C61 83.6(4) . . . . ? 
N9 Sm2 N6 C61 -165.7(3) . . . . ? 
N8 Sm2 N6 C61 17.8(4) . . . . ? 
N7 Sm2 N6 C61 154.5(4) . . . . ? 
Si4 Sm2 N6 C61 -45.4(4) . . . . ? 
Si3 Sm2 N6 C61 -92.6(4) . . . . ? 
N10 Sm2 N6 C42 88.8(4) . . . . ? 
O2 Sm2 N6 C42 -116.9(4) . . . . ? 
N9 Sm2 N6 C42 -6.2(5) . . . . ? 
N8 Sm2 N6 C42 177.3(5) . . . . ? 
N7 Sm2 N6 C42 -46.0(4) . . . . ? 
Si4 Sm2 N6 C42 114.1(4) . . . . ? 
Si3 Sm2 N6 C42 66.9(4) . . . . ? 
N10 Sm2 N7 C66 60.1(5) . . . . ? 
O2 Sm2 N7 C66 -81.8(4) . . . . ? 
N9 Sm2 N7 C66 6.1(4) . . . . ? 
N8 Sm2 N7 C66 -152.0(4) . . . . ? 
N6 Sm2 N7 C66 155.9(4) . . . . ? 
Si4 Sm2 N7 C66 26.3(6) . . . . ? 
Si3 Sm2 N7 C66 72.1(4) . . . . ? 
N10 Sm2 N7 C52 -141.5(4) . . . . ? 
O2 Sm2 N7 C52 76.6(4) . . . . ? 
N9 Sm2 N7 C52 164.5(5) . . . . ? 
N8 Sm2 N7 C52 6.4(5) . . . . ? 
N6 Sm2 N7 C52 -45.7(4) . . . . ? 
Si4 Sm2 N7 C52 -175.3(3) . . . . ? 
Si3 Sm2 N7 C52 -129.5(4) . . . . ? 
N10 Sm2 N8 C65 -73.2(6) . . . . ? 
O2 Sm2 N8 C65 58.8(6) . . . . ? 
N9 Sm2 N8 C65 10.9(9) . . . . ? 
N6 Sm2 N8 C65 -175.6(7) . . . . ? 
N7 Sm2 N8 C65 128.6(6) . . . . ? 
Si4 Sm2 N8 C65 -50.7(6) . . . . ? 
Si3 Sm2 N8 C65 -94.3(6) . . . . ? 
N10 Sm2 N8 C62 85.2(4) . . . . ? 
O2 Sm2 N8 C62 -142.8(4) . . . . ? 
N9 Sm2 N8 C62 169.3(4) . . . . ? 
N6 Sm2 N8 C62 -17.2(3) . . . . ? 
N7 Sm2 N8 C62 -73.0(4) . . . . ? 
Si4 Sm2 N8 C62 107.7(4) . . . . ? 
Si3 Sm2 N8 C62 64.1(4) . . . . ? 
N10 Sm2 N9 C70 29.4(6) . . . . ? 
O2 Sm2 N9 C70 -103.8(6) . . . . ? 
N8 Sm2 N9 C70 -56.4(8) . . . . ? 
N6 Sm2 N9 C70 132.1(6) . . . . ? 
N7 Sm2 N9 C70 175.0(7) . . . . ? 
Si4 Sm2 N9 C70 2.9(6) . . . . ? 
Si3 Sm2 N9 C70 54.7(6) . . . . ? 
N10 Sm2 N9 C67 -147.3(4) . . . . ? 
O2 Sm2 N9 C67 79.5(4) . . . . ? 
N8 Sm2 N9 C67 126.9(5) . . . . ? 
N6 Sm2 N9 C67 -44.7(5) . . . . ? 
N7 Sm2 N9 C67 -1.8(4) . . . . ? 
Si4 Sm2 N9 C67 -173.9(4) . . . . ? 
Si3 Sm2 N9 C67 -122.0(4) . . . . ? 
C72 Si3 N10 Si4 45.6(5) . . . . ? 
C71 Si3 N10 Si4 164.4(3) . . . . ? 
C73 Si3 N10 Si4 -76.7(4) . . . . ? 
Sm2 Si3 N10 Si4 177.2(5) . . . . ? 
C72 Si3 N10 Sm2 -131.6(4) . . . . ? 
C71 Si3 N10 Sm2 -12.8(4) . . . . ? 
C73 Si3 N10 Sm2 106.1(3) . . . . ? 
C74 Si4 N10 Si3 -152.0(4) . . . . ? 
C76 Si4 N10 Si3 87.0(4) . . . . ? 
C75 Si4 N10 Si3 -33.4(5) . . . . ? 
Sm2 Si4 N10 Si3 -177.3(5) . . . . ? 
C74 Si4 N10 Sm2 25.4(4) . . . . ? 
C76 Si4 N10 Sm2 -95.7(3) . . . . ? 
C75 Si4 N10 Sm2 143.9(3) . . . . ? 
O2 Sm2 N10 Si3 151.6(2) . . . . ? 
N9 Sm2 N10 Si3 74.6(3) . . . . ? 
N8 Sm2 N10 Si3 -128.1(3) . . . . ? 
N6 Sm2 N10 Si3 -59.2(3) . . . . ? 
N7 Sm2 N10 Si3 26.3(4) . . . . ? 
Si4 Sm2 N10 Si3 177.6(5) . . . . ? 
O2 Sm2 N10 Si4 -25.9(3) . . . . ? 
N9 Sm2 N10 Si4 -103.0(3) . . . . ? 
N8 Sm2 N10 Si4 54.3(3) . . . . ? 
N6 Sm2 N10 Si4 123.2(2) . . . . ? 
N7 Sm2 N10 Si4 -151.3(2) . . . . ? 
Si3 Sm2 N10 Si4 -177.6(5) . . . . ? 
N15 Sm3 N11 C101 67.3(5) . . . . ? 
O3 Sm3 N11 C101 -69.1(4) . . . . ? 
N13 Sm3 N11 C101 12.1(4) . . . . ? 
N14 Sm3 N11 C101 -141.6(4) . . . . ? 
N12 Sm3 N11 C101 163.3(4) . . . . ? 
Si6 Sm3 N11 C101 41.4(7) . . . . ? 
Si5 Sm3 N11 C101 77.2(4) . . . . ? 
N15 Sm3 N11 C82 -140.1(4) . . . . ? 
O3 Sm3 N11 C82 83.5(4) . . . . ? 
N13 Sm3 N11 C82 164.6(5) . . . . ? 
N14 Sm3 N11 C82 10.9(5) . . . . ? 
N12 Sm3 N11 C82 -44.1(4) . . . . ? 
Si6 Sm3 N11 C82 -166.1(3) . . . . ? 
Si5 Sm3 N11 C82 -130.2(4) . . . . ? 
N15 Sm3 N12 C106 -72.9(4) . . . . ? 
O3 Sm3 N12 C106 76.9(4) . . . . ? 
N13 Sm3 N12 C106 -170.9(4) . . . . ? 
N14 Sm3 N12 C106 18.8(4) . . . . ? 
N11 Sm3 N12 C106 149.4(4) . . . . ? 
Si6 Sm3 N12 C106 -46.4(4) . . . . ? 
Si5 Sm3 N12 C106 -96.5(4) . . . . ? 
N15 Sm3 N12 C92 90.1(4) . . . . ? 
O3 Sm3 N12 C92 -120.1(4) . . . . ? 
N13 Sm3 N12 C92 -7.9(5) . . . . ? 
N14 Sm3 N12 C92 -178.2(5) . . . . ? 
N11 Sm3 N12 C92 -47.6(4) . . . . ? 
Si6 Sm3 N12 C92 116.6(4) . . . . ? 
Si5 Sm3 N12 C92 66.5(4) . . . . ? 
N15 Sm3 N13 C105 34.7(6) . . . . ? 
O3 Sm3 N13 C105 -91.8(6) . . . . ? 
N14 Sm3 N13 C105 -62.5(8) . . . . ? 
N12 Sm3 N13 C105 139.2(6) . . . . ? 
N11 Sm3 N13 C105 -178.2(7) . . . . ? 
Si6 Sm3 N13 C105 10.3(6) . . . . ? 
Si5 Sm3 N13 C105 59.7(6) . . . . ? 
N15 Sm3 N13 C102 -157.1(4) . . . . ? 
O3 Sm3 N13 C102 76.4(4) . . . . ? 
N14 Sm3 N13 C102 105.7(5) . . . . ? 
N12 Sm3 N13 C102 -52.6(5) . . . . ? 
N11 Sm3 N13 C102 -10.0(4) . . . . ? 
Si6 Sm3 N13 C102 178.5(4) . . . . ? 
Si5 Sm3 N13 C102 -132.1(4) . . . . ? 
N15 Sm3 N14 C110 -75.7(6) . . . . ? 
O3 Sm3 N14 C110 48.6(6) . . . . ? 
N13 Sm3 N14 C110 19.3(8) . . . . ? 
N12 Sm3 N14 C110 -176.8(7) . . . . ? 
N11 Sm3 N14 C110 123.1(6) . . . . ? 
Si6 Sm3 N14 C110 -57.8(6) . . . . ? 
Si5 Sm3 N14 C110 -95.8(6) . . . . ? 
N15 Sm3 N14 C107 83.1(4) . . . . ? 
O3 Sm3 N14 C107 -152.7(4) . . . . ? 
N13 Sm3 N14 C107 178.1(4) . . . . ? 
N12 Sm3 N14 C107 -18.1(4) . . . . ? 
N11 Sm3 N14 C107 -78.2(4) . . . . ? 
Si6 Sm3 N14 C107 100.9(4) . . . . ? 
Si5 Sm3 N14 C107 63.0(4) . . . . ? 
C112 Si5 N15 Si6 -179.3(3) . . . . ? 
C111 Si5 N15 Si6 -59.7(4) . . . . ? 
C113 Si5 N15 Si6 63.2(4) . . . . ? 
Sm3 Si5 N15 Si6 -175.8(5) . . . . ? 
C112 Si5 N15 Sm3 -3.5(3) . . . . ? 
C111 Si5 N15 Sm3 116.1(3) . . . . ? 
C113 Si5 N15 Sm3 -121.0(3) . . . . ? 
C115 Si6 N15 Si5 -149.5(3) . . . . ? 
C114 Si6 N15 Si5 89.5(4) . . . . ? 
C116 Si6 N15 Si5 -32.2(4) . . . . ? 
Sm3 Si6 N15 Si5 175.9(5) . . . . ? 
C115 Si6 N15 Sm3 34.6(3) . . . . ? 
C114 Si6 N15 Sm3 -86.3(3) . . . . ? 
C116 Si6 N15 Sm3 152.0(3) . . . . ? 
O3 Sm3 N15 Si5 144.6(2) . . . . ? 
N13 Sm3 N15 Si5 70.6(2) . . . . ? 
N14 Sm3 N15 Si5 -134.3(3) . . . . ? 
N12 Sm3 N15 Si5 -65.7(3) . . . . ? 
N11 Sm3 N15 Si5 20.9(4) . . . . ? 
Si6 Sm3 N15 Si5 -176.2(4) . . . . ? 
O3 Sm3 N15 Si6 -39.2(3) . . . . ? 
N13 Sm3 N15 Si6 -113.2(3) . . . . ? 
N14 Sm3 N15 Si6 41.9(3) . . . . ? 
N12 Sm3 N15 Si6 110.5(3) . . . . ? 
N11 Sm3 N15 Si6 -162.9(2) . . . . ? 
Si5 Sm3 N15 Si6 176.2(4) . . . . ? 
N5 Sm1 O1 C37 -58.2(5) . . . . ? 
N3 Sm1 O1 C37 16.4(4) . . . . ? 
N4 Sm1 O1 C37 -148.3(4) . . . . ? 
N2 Sm1 O1 C37 155.2(4) . . . . ? 
N1 Sm1 O1 C37 85.0(4) . . . . ? 
Si2 Sm1 O1 C37 -75.3(4) . . . . ? 
Si1 Sm1 O1 C37 -25.8(5) . . . . ? 
N5 Sm1 O1 C40 134.1(4) . . . . ? 
N3 Sm1 O1 C40 -151.3(4) . . . . ? 
N4 Sm1 O1 C40 44.0(4) . . . . ? 
N2 Sm1 O1 C40 -12.5(4) . . . . ? 
N1 Sm1 O1 C40 -82.7(4) . . . . ? 
Si2 Sm1 O1 C40 117.0(4) . . . . ? 
Si1 Sm1 O1 C40 166.4(3) . . . . ? 
N10 Sm2 O2 C80 118.5(4) . . . . ? 
N9 Sm2 O2 C80 -164.1(4) . . . . ? 
N8 Sm2 O2 C80 32.6(4) . . . . ? 
N6 Sm2 O2 C80 -26.9(5) . . . . ? 
N7 Sm2 O2 C80 -96.8(4) . . . . ? 
Si4 Sm2 O2 C80 106.4(4) . . . . ? 
Si3 Sm2 O2 C80 144.9(4) . . . . ? 
N10 Sm2 O2 C77 -68.3(5) . . . . ? 
N9 Sm2 O2 C77 9.1(5) . . . . ? 
N8 Sm2 O2 C77 -154.1(5) . . . . ? 
N6 Sm2 O2 C77 146.4(4) . . . . ? 
N7 Sm2 O2 C77 76.5(5) . . . . ? 
Si4 Sm2 O2 C77 -80.4(4) . . . . ? 
Si3 Sm2 O2 C77 -41.8(5) . . . . ? 
N15 Sm3 O3 C120 -51.1(4) . . . . ? 
N13 Sm3 O3 C120 26.6(4) . . . . ? 
N14 Sm3 O3 C120 -141.3(4) . . . . ? 
N12 Sm3 O3 C120 165.5(4) . . . . ? 
N11 Sm3 O3 C120 95.3(4) . . . . ? 
Si6 Sm3 O3 C120 -68.0(4) . . . . ? 
Si5 Sm3 O3 C120 -25.6(5) . . . . ? 
N15 Sm3 O3 C117 137.1(4) . . . . ? 
N13 Sm3 O3 C117 -145.2(4) . . . . ? 
N14 Sm3 O3 C117 46.9(4) . . . . ? 
N12 Sm3 O3 C117 -6.2(4) . . . . ? 
N11 Sm3 O3 C117 -76.5(4) . . . . ? 
Si6 Sm3 O3 C117 120.3(4) . . . . ? 
Si5 Sm3 O3 C117 162.6(3) . . . . ? 
C6 C1 C2 C3 3.4(8) . . . . ? 
C11 C1 C2 C3 -174.4(5) . . . . ? 
C6 C1 C2 N1 -173.9(5) . . . . ? 
C11 C1 C2 N1 8.3(8) . . . . ? 
C21 N1 C2 C1 -125.7(6) . . . . ? 
Sm1 N1 C2 C1 71.2(6) . . . . ? 
C21 N1 C2 C3 57.0(7) . . . . ? 
Sm1 N1 C2 C3 -106.0(5) . . . . ? 
C1 C2 C3 C4 -1.3(8) . . . . ? 
N1 C2 C3 C4 176.0(5) . . . . ? 
C2 C3 C4 C5 -1.5(9) . . . . ? 
C3 C4 C5 C10 -176.9(6) . . . . ? 
C3 C4 C5 C6 2.2(8) . . . . ? 
C10 C5 C6 C7 1.6(8) . . . . ? 
C4 C5 C6 C7 -177.4(5) . . . . ? 
C10 C5 C6 C1 179.0(5) . . . . ? 
C4 C5 C6 C1 -0.1(8) . . . . ? 
C2 C1 C6 C7 174.6(5) . . . . ? 
C11 C1 C6 C7 -7.5(7) . . . . ? 
C2 C1 C6 C5 -2.7(8) . . . . ? 
C11 C1 C6 C5 175.3(5) . . . . ? 
C5 C6 C7 C8 0.2(8) . . . . ? 
C1 C6 C7 C8 -177.1(5) . . . . ? 
C6 C7 C8 C9 -1.4(8) . . . . ? 
C7 C8 C9 C10 0.7(9) . . . . ? 
C8 C9 C10 C5 1.2(9) . . . . ? 
C4 C5 C10 C9 176.7(6) . . . . ? 
C6 C5 C10 C9 -2.4(9) . . . . ? 
C2 C1 C11 C12 -77.4(7) . . . . ? 
C6 C1 C11 C12 104.7(6) . . . . ? 
C2 C1 C11 C16 108.6(6) . . . . ? 
C6 C1 C11 C16 -69.2(6) . . . . ? 
C16 C11 C12 C13 4.5(8) . . . . ? 
C1 C11 C12 C13 -169.5(5) . . . . ? 
C16 C11 C12 N2 -171.2(5) . . . . ? 
C1 C11 C12 N2 14.8(8) . . . . ? 
C26 N2 C12 C11 -133.4(6) . . . . ? 
Sm1 N2 C12 C11 72.5(6) . . . . ? 
C26 N2 C12 C13 50.9(7) . . . . ? 
Sm1 N2 C12 C13 -103.3(5) . . . . ? 
C11 C12 C13 C14 -3.3(9) . . . . ? 
N2 C12 C13 C14 172.4(5) . . . . ? 
C12 C13 C14 C15 -0.5(9) . . . . ? 
C13 C14 C15 C16 2.9(9) . . . . ? 
C13 C14 C15 C20 -178.2(5) . . . . ? 
C14 C15 C16 C11 -1.6(8) . . . . ? 
C20 C15 C16 C11 179.5(5) . . . . ? 
C14 C15 C16 C17 -178.5(5) . . . . ? 
C20 C15 C16 C17 2.5(8) . . . . ? 
C12 C11 C16 C15 -2.1(8) . . . . ? 
C1 C11 C16 C15 172.1(5) . . . . ? 
C12 C11 C16 C17 174.7(5) . . . . ? 
C1 C11 C16 C17 -11.1(8) . . . . ? 
C15 C16 C17 C18 -1.5(8) . . . . ? 
C11 C16 C17 C18 -178.4(5) . . . . ? 
C16 C17 C18 C19 -0.5(8) . . . . ? 
C17 C18 C19 C20 1.5(9) . . . . ? 
C18 C19 C20 C15 -0.5(9) . . . . ? 
C14 C15 C20 C19 179.5(6) . . . . ? 
C16 C15 C20 C19 -1.6(8) . . . . ? 
C2 N1 C21 C22 -170.0(6) . . . . ? 
Sm1 N1 C21 C22 -5.3(7) . . . . ? 
N1 C21 C22 N3 6.7(9) . . . . ? 
N1 C21 C22 C23 -168.8(6) . . . . ? 
C25 N3 C22 C21 -176.5(5) . . . . ? 
Sm1 N3 C22 C21 -4.3(7) . . . . ? 
C25 N3 C22 C23 -0.1(7) . . . . ? 
Sm1 N3 C22 C23 172.1(4) . . . . ? 
C21 C22 C23 C24 175.8(7) . . . . ? 
N3 C22 C23 C24 0.0(7) . . . . ? 
C22 C23 C24 C25 0.1(7) . . . . ? 
C22 N3 C25 C24 0.1(7) . . . . ? 
Sm1 N3 C25 C24 -169.2(4) . . . . ? 
C23 C24 C25 N3 -0.2(8) . . . . ? 
C12 N2 C26 C27 -175.3(5) . . . . ? 
Sm1 N2 C26 C27 -18.7(7) . . . . ? 
N2 C26 C27 C28 -175.5(6) . . . . ? 
N2 C26 C27 N4 2.5(9) . . . . ? 
C30 N4 C27 C28 1.2(7) . . . . ? 
Sm1 N4 C27 C28 -166.3(4) . . . . ? 
C30 N4 C27 C26 -177.2(5) . . . . ? 
Sm1 N4 C27 C26 15.3(7) . . . . ? 
C26 C27 C28 C29 177.0(6) . . . . ? 
N4 C27 C28 C29 -1.1(8) . . . . ? 
C27 C28 C29 C30 0.6(8) . . . . ? 
C27 N4 C30 C29 -0.7(7) . . . . ? 
Sm1 N4 C30 C29 160.6(5) . . . . ? 
C28 C29 C30 N4 0.1(8) . . . . ? 
C40 O1 C37 C38 -10.6(6) . . . . ? 
Sm1 O1 C37 C38 -179.7(3) . . . . ? 
O1 C37 C38 C39 30.3(6) . . . . ? 
C37 C38 C39 C40 -38.2(6) . . . . ? 
C37 O1 C40 C39 -14.1(6) . . . . ? 
Sm1 O1 C40 C39 155.7(4) . . . . ? 
C38 C39 C40 O1 32.8(6) . . . . ? 
C46 C41 C42 C43 4.3(8) . . . . ? 
C51 C41 C42 C43 -170.2(5) . . . . ? 
C46 C41 C42 N6 -172.4(5) . . . . ? 
C51 C41 C42 N6 13.1(8) . . . . ? 
C61 N6 C42 C41 -130.4(6) . . . . ? 
Sm2 N6 C42 C41 71.2(6) . . . . ? 
C61 N6 C42 C43 52.9(7) . . . . ? 
Sm2 N6 C42 C43 -105.5(5) . . . . ? 
C41 C42 C43 C44 -1.8(9) . . . . ? 
N6 C42 C43 C44 174.8(5) . . . . ? 
C42 C43 C44 C45 -0.4(9) . . . . ? 
C43 C44 C45 C46 0.1(8) . . . . ? 
C43 C44 C45 C50 -177.0(5) . . . . ? 
C44 C45 C46 C47 -177.5(5) . . . . ? 
C50 C45 C46 C47 -0.4(8) . . . . ? 
C44 C45 C46 C41 2.4(8) . . . . ? 
C50 C45 C46 C41 179.5(5) . . . . ? 
C42 C41 C46 C45 -4.5(8) . . . . ? 
C51 C41 C46 C45 170.1(5) . . . . ? 
C42 C41 C46 C47 175.4(5) . . . . ? 
C51 C41 C46 C47 -10.0(8) . . . . ? 
C45 C46 C47 C48 0.4(8) . . . . ? 
C41 C46 C47 C48 -179.5(5) . . . . ? 
C46 C47 C48 C49 -0.9(8) . . . . ? 
C47 C48 C49 C50 1.5(8) . . . . ? 
C48 C49 C50 C45 -1.5(9) . . . . ? 
C44 C45 C50 C49 178.1(5) . . . . ? 
C46 C45 C50 C49 1.0(8) . . . . ? 
C42 C41 C51 C52 -79.1(7) . . . . ? 
C46 C41 C51 C52 106.4(6) . . . . ? 
C42 C41 C51 C56 104.8(6) . . . . ? 
C46 C41 C51 C56 -69.7(7) . . . . ? 
C56 C51 C52 C53 3.2(8) . . . . ? 
C41 C51 C52 C53 -172.8(5) . . . . ? 
C56 C51 C52 N7 -172.4(5) . . . . ? 
C41 C51 C52 N7 11.6(8) . . . . ? 
C66 N7 C52 C51 -130.6(6) . . . . ? 
Sm2 N7 C52 C51 71.8(6) . . . . ? 
C66 N7 C52 C53 53.7(7) . . . . ? 
Sm2 N7 C52 C53 -103.9(5) . . . . ? 
C51 C52 C53 C54 -0.6(9) . . . . ? 
N7 C52 C53 C54 175.1(5) . . . . ? 
C52 C53 C54 C55 -1.9(9) . . . . ? 
C53 C54 C55 C56 1.8(9) . . . . ? 
C53 C54 C55 C60 -176.1(5) . . . . ? 
C54 C55 C56 C57 -177.0(5) . . . . ? 
C60 C55 C56 C57 1.0(8) . . . . ? 
C54 C55 C56 C51 0.8(8) . . . . ? 
C60 C55 C56 C51 178.8(5) . . . . ? 
C52 C51 C56 C57 174.4(5) . . . . ? 
C41 C51 C56 C57 -9.4(8) . . . . ? 
C52 C51 C56 C55 -3.3(8) . . . . ? 
C41 C51 C56 C55 172.9(5) . . . . ? 
C55 C56 C57 C58 0.5(8) . . . . ? 
C51 C56 C57 C58 -177.2(5) . . . . ? 
C56 C57 C58 C59 -1.0(8) . . . . ? 
C57 C58 C59 C60 0.0(9) . . . . ? 
C58 C59 C60 C55 1.5(9) . . . . ? 
C54 C55 C60 C59 175.9(6) . . . . ? 
C56 C55 C60 C59 -2.0(9) . . . . ? 
C42 N6 C61 C62 -177.8(5) . . . . ? 
Sm2 N6 C61 C62 -16.9(7) . . . . ? 
N6 C61 C62 C63 -177.6(6) . . . . ? 
N6 C61 C62 N8 -0.1(8) . . . . ? 
C65 N8 C62 C63 1.5(7) . . . . ? 
Sm2 N8 C62 C63 -165.2(4) . . . . ? 
C65 N8 C62 C61 -176.5(5) . . . . ? 
Sm2 N8 C62 C61 16.8(6) . . . . ? 
C61 C62 C63 C64 176.8(6) . . . . ? 
N8 C62 C63 C64 -0.9(7) . . . . ? 
C62 C63 C64 C65 0.0(7) . . . . ? 
C62 N8 C65 C64 -1.5(7) . . . . ? 
Sm2 N8 C65 C64 157.8(5) . . . . ? 
C63 C64 C65 N8 1.0(7) . . . . ? 
C52 N7 C66 C67 -169.0(5) . . . . ? 
Sm2 N7 C66 C67 -10.1(7) . . . . ? 
C70 N9 C67 C68 -0.3(7) . . . . ? 
Sm2 N9 C67 C68 177.4(4) . . . . ? 
C70 N9 C67 C66 179.9(6) . . . . ? 
Sm2 N9 C67 C66 -2.3(7) . . . . ? 
N7 C66 C67 C68 -171.0(6) . . . . ? 
N7 C66 C67 N9 8.7(9) . . . . ? 
N9 C67 C68 C69 0.5(7) . . . . ? 
C66 C67 C68 C69 -179.8(6) . . . . ? 
C67 C68 C69 C70 -0.5(7) . . . . ? 
C67 N9 C70 C69 0.0(7) . . . . ? 
Sm2 N9 C70 C69 -177.0(4) . . . . ? 
C68 C69 C70 N9 0.3(8) . . . . ? 
C80 O2 C77 C78 -17.3(7) . . . . ? 
Sm2 O2 C77 C78 168.4(4) . . . . ? 
O2 C77 C78 C79 32.8(7) . . . . ? 
C77 C78 C79 C80 -36.4(7) . . . . ? 
C77 O2 C80 C79 -5.9(7) . . . . ? 
Sm2 O2 C80 C79 168.2(4) . . . . ? 
C78 C79 C80 O2 26.4(7) . . . . ? 
C86 C81 C82 C83 4.6(8) . . . . ? 
C91 C81 C82 C83 -171.3(5) . . . . ? 
C86 C81 C82 N11 -171.8(5) . . . . ? 
C91 C81 C82 N11 12.3(8) . . . . ? 
C101 N11 C82 C81 -139.4(6) . . . . ? 
Sm3 N11 C82 C81 69.5(6) . . . . ? 
C101 N11 C82 C83 44.2(8) . . . . ? 
Sm3 N11 C82 C83 -106.9(5) . . . . ? 
C81 C82 C83 C84 0.0(8) . . . . ? 
N11 C82 C83 C84 176.4(5) . . . . ? 
C82 C83 C84 C85 -3.2(9) . . . . ? 
C83 C84 C85 C86 1.5(9) . . . . ? 
C83 C84 C85 C90 -175.2(6) . . . . ? 
C90 C85 C86 C87 1.7(8) . . . . ? 
C84 C85 C86 C87 -175.0(5) . . . . ? 
C90 C85 C86 C81 179.9(5) . . . . ? 
C84 C85 C86 C81 3.2(8) . . . . ? 
C82 C81 C86 C85 -6.3(8) . . . . ? 
C91 C81 C86 C85 170.0(5) . . . . ? 
C82 C81 C86 C87 171.9(5) . . . . ? 
C91 C81 C86 C87 -11.8(8) . . . . ? 
C85 C86 C87 C88 0.4(8) . . . . ? 
C81 C86 C87 C88 -177.9(5) . . . . ? 
C86 C87 C88 C89 -2.0(8) . . . . ? 
C87 C88 C89 C90 1.7(9) . . . . ? 
C88 C89 C90 C85 0.4(9) . . . . ? 
C86 C85 C90 C89 -2.0(9) . . . . ? 
C84 C85 C90 C89 174.6(6) . . . . ? 
C82 C81 C91 C92 -79.5(7) . . . . ? 
C86 C81 C91 C92 104.5(6) . . . . ? 
C82 C81 C91 C96 108.1(6) . . . . ? 
C86 C81 C91 C96 -67.9(7) . . . . ? 
C96 C91 C92 C93 4.1(8) . . . . ? 
C81 C91 C92 C93 -168.1(5) . . . . ? 
C96 C91 C92 N12 -175.2(5) . . . . ? 
C81 C91 C92 N12 12.6(8) . . . . ? 
C106 N12 C92 C91 -126.5(6) . . . . ? 
Sm3 N12 C92 C91 71.8(6) . . . . ? 
C106 N12 C92 C93 54.2(8) . . . . ? 
Sm3 N12 C92 C93 -107.5(5) . . . . ? 
C91 C92 C93 C94 -3.1(9) . . . . ? 
N12 C92 C93 C94 176.2(5) . . . . ? 
C92 C93 C94 C95 1.3(9) . . . . ? 
C93 C94 C95 C100 179.8(6) . . . . ? 
C93 C94 C95 C96 -0.6(9) . . . . ? 
C92 C91 C96 C95 -3.3(8) . . . . ? 
C81 C91 C96 C95 169.2(5) . . . . ? 
C92 C91 C96 C97 176.9(5) . . . . ? 
C81 C91 C96 C97 -10.5(8) . . . . ? 
C94 C95 C96 C91 1.5(8) . . . . ? 
C100 C95 C96 C91 -178.8(5) . . . . ? 
C94 C95 C96 C97 -178.7(5) . . . . ? 
C100 C95 C96 C97 0.9(8) . . . . ? 
C91 C96 C97 C98 179.5(5) . . . . ? 
C95 C96 C97 C98 -0.2(8) . . . . ? 
C96 C97 C98 C99 -1.1(9) . . . . ? 
C97 C98 C99 C100 1.7(9) . . . . ? 
C98 C99 C100 C95 -0.9(9) . . . . ? 
C94 C95 C100 C99 179.3(6) . . . . ? 
C96 C95 C100 C99 -0.4(9) . . . . ? 
C82 N11 C101 C102 -167.6(6) . . . . ? 
Sm3 N11 C101 C102 -13.6(8) . . . . ? 
N11 C101 C102 N13 4.3(10) . . . . ? 
N11 C101 C102 C103 -175.6(6) . . . . ? 
C105 N13 C102 C101 180.0(6) . . . . ? 
Sm3 N13 C102 C101 8.0(7) . . . . ? 
C105 N13 C102 C103 -0.1(7) . . . . ? 
Sm3 N13 C102 C103 -172.1(4) . . . . ? 
C101 C102 C103 C104 179.9(7) . . . . ? 
N13 C102 C103 C104 0.1(7) . . . . ? 
C102 C103 C104 C105 0.0(7) . . . . ? 
C102 N13 C105 C104 0.1(7) . . . . ? 
Sm3 N13 C105 C104 168.9(4) . . . . ? 
C103 C104 C105 N13 -0.1(7) . . . . ? 
C92 N12 C106 C107 178.5(5) . . . . ? 
Sm3 N12 C106 C107 -18.1(7) . . . . ? 
N12 C106 C107 C108 -176.1(6) . . . . ? 
N12 C106 C107 N14 0.5(9) . . . . ? 
C110 N14 C107 C106 -176.0(5) . . . . ? 
Sm3 N14 C107 C106 17.5(7) . . . . ? 
C110 N14 C107 C108 1.3(7) . . . . ? 
Sm3 N14 C107 C108 -165.2(4) . . . . ? 
C106 C107 C108 C109 175.3(6) . . . . ? 
N14 C107 C108 C109 -1.5(7) . . . . ? 
C107 C108 C109 C110 1.1(7) . . . . ? 
C107 N14 C110 C109 -0.5(7) . . . . ? 
Sm3 N14 C110 C109 159.2(5) . . . . ? 
C108 C109 C110 N14 -0.4(8) . . . . ? 
C120 O3 C117 C118 39.3(6) . . . . ? 
Sm3 O3 C117 C118 -147.6(4) . . . . ? 
O3 C117 C118 C119 -24.0(6) . . . . ? 
C117 C118 C119 C120 1.0(7) . . . . ? 
C117 O3 C120 C119 -38.8(6) . . . . ? 
Sm3 O3 C120 C119 148.0(4) . . . . ? 
C118 C119 C120 O3 22.5(6) . . . . ? 
C127 C122 C123 C124 -1.0(9) . . . . ? 
C121 C122 C123 C124 -179.8(6) . . . . ? 
C122 C123 C124 C125 2.1(9) . . . . ? 
C123 C124 C125 C126 -2.0(9) . . . . ? 
C124 C125 C126 C127 1.0(9) . . . . ? 
C125 C126 C127 C122 0.1(10) . . . . ? 
C123 C122 C127 C126 -0.1(10) . . . . ? 
C121 C122 C127 C126 178.7(6) . . . . ? 
C134 C129 C130 C131 -0.7(9) . . . . ? 
C128 C129 C130 C131 177.8(6) . . . . ? 
C129 C130 C131 C132 -0.8(10) . . . . ? 
C130 C131 C132 C133 1.6(10) . . . . ? 
C131 C132 C133 C134 -0.9(10) . . . . ? 
C132 C133 C134 C129 -0.7(10) . . . . ? 
C130 C129 C134 C133 1.5(9) . . . . ? 
C128 C129 C134 C133 -177.1(6) . . . . ? 
C141 C136 C137 C138 0.0 . . . . ? 
C135 C136 C137 C138 -177.7(8) . . . . ? 
C136 C137 C138 C139 0.0 . . . . ? 
C137 C138 C139 C140 0.0 . . . . ? 
C138 C139 C140 C141 0.0 . . . . ? 
C139 C140 C141 C136 0.0 . . . . ? 
C137 C136 C141 C140 0.0 . . . . ? 
C135 C136 C141 C140 177.7(8) . . . . ? 
C148 C143 C144 C145 0.0 . . . . ? 
C142 C143 C144 C145 176(2) . . . . ? 
C143 C144 C145 C146 0.0 . . . . ? 
C144 C145 C146 C147 0.0 . . . . ? 
C145 C146 C147 C148 0.0 . . . . ? 
C146 C147 C148 C143 0.0 . . . . ? 
C144 C143 C148 C147 0.0 . . . . ? 
C142 C143 C148 C147 -176(2) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.870 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.889 
_refine_diff_density_max    1.387 
_refine_diff_density_min   -1.144 
_refine_diff_density_rms    0.120 

#===END
  
data_compound4 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C47 H54 N5 O Si2 Y' 
_chemical_formula_sum 
 'C47 H54 N5 O Si2 Y' 
_chemical_formula_weight          850.04 
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'O'  'O'   0.0106   0.0060 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Y'  'Y'  -2.7962   3.5667 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Si'  'Si'   0.0817   0.0704 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            orthorhombic 
_symmetry_space_group_name_H-M    'P 21 21 21' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 'x+1/2, -y+1/2, -z' 
 '-x, y+1/2, -z+1/2' 
 '-x+1/2, -y, z+1/2' 
  
_cell_length_a                    11.179(3) 
_cell_length_b                    17.442(5) 
_cell_length_c                    68.466(19) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      13350(7) 
_cell_formula_units_Z             12 
_cell_measurement_temperature     113(2) 
_cell_measurement_reflns_used     7531 
_cell_measurement_theta_min       7.9 
_cell_measurement_theta_max       25.0 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             yellow 
_exptl_crystal_size_max           0.22 
_exptl_crystal_size_mid           0.20 
_exptl_crystal_size_min           0.18 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.269 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              5352 
_exptl_absorpt_coefficient_mu     1.404 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.7475 
_exptl_absorpt_correction_T_max   0.7861 
_exptl_absorpt_process_details    'Jacobson, R. (1998) Private communication' 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       113(2) 
_diffrn_radiation_wavelength      0.71070 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'Rotating anode' 
_diffrn_radiation_monochromator   confocal
_diffrn_measurement_device_type   'Rigaku Saturn' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  7.31 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             62330 
_diffrn_reflns_av_R_equivalents   0.0646 
_diffrn_reflns_av_sigmaI/netI     0.1748 
_diffrn_reflns_limit_h_min        -12 
_diffrn_reflns_limit_h_max        13 
_diffrn_reflns_limit_k_min        -20 
_diffrn_reflns_limit_k_max        21 
_diffrn_reflns_limit_l_min        -84 
_diffrn_reflns_limit_l_max        84 
_diffrn_reflns_theta_min          1.67 
_diffrn_reflns_theta_max          26.01 
_reflns_number_total              23852 
_reflns_number_gt                 12927 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        CrystalClear 
_computing_cell_refinement        CrystalClear 
_computing_data_reduction         CrystalClear 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   'CrystalStructure 3.7.0' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0096P)²+0.0000P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.005(2) 
_refine_ls_number_reflns          23852 
_refine_ls_number_parameters      1573 
_refine_ls_number_restraints      84 
_refine_ls_R_factor_all           0.1019 
_refine_ls_R_factor_gt            0.0526 
_refine_ls_wR_factor_ref          0.0669 
_refine_ls_wR_factor_gt           0.0572 
_refine_ls_goodness_of_fit_ref    0.822 
_refine_ls_restrained_S_all       0.822 
_refine_ls_shift/su_max           0.004 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Y1 Y 0.80376(4) 0.08029(3) 0.569200(7) 0.02949(14) Uani 1 1 d . . . 
Y2 Y 0.22534(4) 0.57188(3) 0.262598(7) 0.02833(14) Uani 1 1 d . . . 
Y3 Y 0.72083(4) 0.91110(3) 0.402237(6) 0.02968(14) Uani 1 1 d . . . 
Si1 Si 0.76640(15) 0.25247(8) 0.59203(2) 0.0444(5) Uani 1 1 d . . . 
Si2 Si 0.55829(15) 0.14053(10) 0.59234(2) 0.0485(5) Uani 1 1 d . . . 
Si3 Si 0.28917(16) 0.74002(9) 0.24015(2) 0.0511(5) Uani 1 1 d . . . 
Si4 Si 0.47831(15) 0.61658(10) 0.23865(2) 0.0522(5) Uani 1 1 d . . . 
Si5 Si 0.80943(16) 0.74636(9) 0.42402(2) 0.0535(5) Uani 1 1 d . . . 
Si6 Si 0.99375(15) 0.87238(9) 0.42189(2) 0.0469(5) Uani 1 1 d . . . 
N1 N 1.0182(3) 0.0654(2) 0.56155(5) 0.0267(11) Uani 1 1 d . . . 
N2 N 0.8205(4) 0.1462(2) 0.53780(5) 0.0265(10) Uani 1 1 d . . . 
N3 N 0.9195(4) 0.0712(2) 0.59855(5) 0.0300(11) Uani 1 1 d . . . 
N4 N 0.6426(4) 0.0433(2) 0.54810(6) 0.0395(12) Uani 1 1 d . . . 
N5 N 0.6990(3) 0.1682(2) 0.58546(5) 0.0322(11) Uani 1 1 d . . . 
N6 N 0.2018(3) 0.6416(2) 0.29316(5) 0.0241(10) Uani 1 1 d . . . 
N7 N 0.0085(3) 0.5583(2) 0.26884(6) 0.0295(11) Uani 1 1 d . . . 
N8 N 0.3828(4) 0.5382(2) 0.28518(5) 0.0292(11) Uani 1 1 d . . . 
N9 N 0.1130(4) 0.5631(2) 0.23276(6) 0.0321(11) Uani 1 1 d . . . 
N10 N 0.3423(3) 0.6518(2) 0.24570(5) 0.0283(11) Uani 1 1 d . . . 
N11 N 0.5023(3) 0.9169(2) 0.39697(5) 0.0266(10) Uani 1 1 d . . . 
N12 N 0.6997(4) 0.8425(2) 0.37134(5) 0.0279(11) Uani 1 1 d . . . 
N13 N 0.6146(4) 0.9129(2) 0.43251(5) 0.0325(11) Uani 1 1 d . . . 
N14 N 0.8608(3) 0.9603(2) 0.37854(6) 0.0339(11) Uani 1 1 d . . . 
N15 N 0.8527(3) 0.8365(2) 0.41807(5) 0.0341(11) Uani 1 1 d . . . 
O1 O 0.8114(3) -0.05471(17) 0.57262(4) 0.0310(9) Uani 1 1 d . . . 
O2 O 0.2113(3) 0.43704(16) 0.26132(4) 0.0332(9) Uani 1 1 d . . . 
O3 O 0.7008(3) 1.04353(16) 0.40696(4) 0.0321(9) Uani 1 1 d . . . 
C1 C 1.0610(4) 0.0985(3) 0.52766(7) 0.0265(13) Uani 1 1 d . . . 
C2 C 1.0655(4) 0.0468(3) 0.54283(7) 0.0293(14) Uani 1 1 d . . . 
C3 C 1.1122(4) -0.0277(3) 0.53958(7) 0.0390(15) Uani 1 1 d . . . 
H3 H 1.1170 -0.0628 0.5502 0.047 Uiso 1 1 calc R . . 
C4 C 1.1500(4) -0.0499(3) 0.52163(7) 0.0375(15) Uani 1 1 d . . . 
H4 H 1.1818 -0.0999 0.5199 0.045 Uiso 1 1 calc R . . 
C5 C 1.1428(4) 0.0005(3) 0.50534(8) 0.0360(14) Uani 1 1 d . . . 
C6 C 1.0964(4) 0.0758(3) 0.50857(7) 0.0302(13) Uani 1 1 d . . . 
C7 C 1.0861(4) 0.1238(3) 0.49234(7) 0.0315(14) Uani 1 1 d . . . 
H7 H 1.0592 0.1750 0.4942 0.038 Uiso 1 1 calc R . . 
C8 C 1.1130(4) 0.1003(3) 0.47394(7) 0.0383(15) Uani 1 1 d . . . 
H8 H 1.1008 0.1335 0.4631 0.046 Uiso 1 1 calc R . . 
C9 C 1.1596(4) 0.0252(3) 0.47110(7) 0.0464(17) Uani 1 1 d . . . 
H9 H 1.1799 0.0085 0.4583 0.056 Uiso 1 1 calc R . . 
C10 C 1.1753(5) -0.0228(3) 0.48644(8) 0.0525(18) Uani 1 1 d . . . 
H10 H 1.2083 -0.0724 0.4844 0.063 Uiso 1 1 calc R . . 
C11 C 1.0265(5) 0.1810(3) 0.53062(6) 0.0273(13) Uani 1 1 d . . . 
C12 C 0.9083(5) 0.2017(3) 0.53312(6) 0.0259(13) Uani 1 1 d . . . 
C13 C 0.8758(5) 0.2813(3) 0.53283(6) 0.0350(15) Uani 1 1 d . . . 
H13 H 0.7942 0.2952 0.5343 0.042 Uiso 1 1 calc R . . 
C14 C 0.9592(5) 0.3370(3) 0.53057(6) 0.0376(15) Uani 1 1 d . . . 
H14 H 0.9348 0.3891 0.5302 0.045 Uiso 1 1 calc R . . 
C15 C 1.0824(5) 0.3187(3) 0.52877(7) 0.0330(15) Uani 1 1 d . . . 
C16 C 1.1140(5) 0.2396(3) 0.52897(6) 0.0281(13) Uani 1 1 d . . . 
C17 C 1.2391(5) 0.2214(3) 0.52812(6) 0.0344(14) Uani 1 1 d . . . 
H17 H 1.2631 0.1692 0.5286 0.041 Uiso 1 1 calc R . . 
C18 C 1.3244(5) 0.2769(3) 0.52667(6) 0.0425(16) Uani 1 1 d . . . 
H18 H 1.4065 0.2630 0.5261 0.051 Uiso 1 1 calc R . . 
C19 C 1.2914(5) 0.3548(3) 0.52600(7) 0.0476(17) Uani 1 1 d . . . 
H19 H 1.3510 0.3933 0.5249 0.057 Uiso 1 1 calc R . . 
C20 C 1.1719(5) 0.3751(3) 0.52699(6) 0.0393(16) Uani 1 1 d . . . 
H20 H 1.1499 0.4276 0.5265 0.047 Uiso 1 1 calc R . . 
C21 C 1.0878(4) 0.0566(3) 0.57698(7) 0.0353(15) Uani 1 1 d . . . 
H21 H 1.1701 0.0450 0.5752 0.042 Uiso 1 1 calc R . . 
C22 C 1.0427(5) 0.0641(3) 0.59594(7) 0.0323(14) Uani 1 1 d . . . 
C23 C 1.1016(5) 0.0676(3) 0.61387(7) 0.0367(14) Uani 1 1 d . . . 
H23 H 1.1853 0.0638 0.6161 0.044 Uiso 1 1 calc R . . 
C24 C 1.0142(5) 0.0776(3) 0.62775(7) 0.0371(15) Uani 1 1 d . . . 
H24 H 1.0259 0.0819 0.6414 0.045 Uiso 1 1 calc R . . 
C25 C 0.9051(4) 0.0803(2) 0.61793(7) 0.0291(13) Uani 1 1 d . . . 
H25 H 0.8300 0.0877 0.6241 0.035 Uiso 1 1 calc R . . 
C26 C 0.7220(4) 0.1426(3) 0.52763(6) 0.0316(14) Uani 1 1 d . . . 
H26 H 0.7122 0.1764 0.5169 0.038 Uiso 1 1 calc R . . 
C27 C 0.6304(5) 0.0909(3) 0.53198(7) 0.0369(15) Uani 1 1 d . . . 
C28 C 0.5234(5) 0.0753(4) 0.52189(8) 0.061(2) Uani 1 1 d . . . 
H28 H 0.4944 0.1004 0.5105 0.073 Uiso 1 1 calc R . . 
C29 C 0.4698(5) 0.0165(4) 0.53184(8) 0.072(2) Uani 1 1 d . . . 
H29 H 0.3963 -0.0077 0.5286 0.087 Uiso 1 1 calc R . . 
C30 C 0.5436(5) -0.0008(3) 0.54754(8) 0.0594(19) Uani 1 1 d . . . 
H30 H 0.5262 -0.0395 0.5569 0.071 Uiso 1 1 calc R . . 
C31 C 0.7711(4) 0.2744(3) 0.61907(6) 0.0514(16) Uani 1 1 d . . . 
H31A H 0.6946 0.2968 0.6231 0.077 Uiso 1 1 calc R . . 
H31B H 0.8358 0.3109 0.6217 0.077 Uiso 1 1 calc R . . 
H31C H 0.7854 0.2270 0.6264 0.077 Uiso 1 1 calc R . . 
C32 C 0.9295(4) 0.2524(3) 0.58445(6) 0.0478(16) Uani 1 1 d . . . 
H32A H 0.9758 0.2211 0.5936 0.072 Uiso 1 1 calc R . . 
H32B H 0.9601 0.3051 0.5846 0.072 Uiso 1 1 calc R . . 
H32C H 0.9369 0.2311 0.5713 0.072 Uiso 1 1 calc R . . 
C33 C 0.6910(5) 0.3376(3) 0.58045(7) 0.067(2) Uani 1 1 d . . . 
H33A H 0.6995 0.3346 0.5662 0.101 Uiso 1 1 calc R . . 
H33B H 0.7283 0.3849 0.5852 0.101 Uiso 1 1 calc R . . 
H33C H 0.6059 0.3376 0.5839 0.101 Uiso 1 1 calc R . . 
C34 C 0.5596(4) 0.0345(3) 0.59690(7) 0.0466(16) Uani 1 1 d . . . 
H34A H 0.5968 0.0083 0.5858 0.070 Uiso 1 1 calc R . . 
H34B H 0.4773 0.0161 0.5985 0.070 Uiso 1 1 calc R . . 
H34C H 0.6053 0.0236 0.6088 0.070 Uiso 1 1 calc R . . 
C35 C 0.4434(4) 0.1634(3) 0.57350(7) 0.0624(19) Uani 1 1 d . . . 
H35A H 0.4469 0.2182 0.5704 0.094 Uiso 1 1 calc R . . 
H35B H 0.3638 0.1508 0.5786 0.094 Uiso 1 1 calc R . . 
H35C H 0.4591 0.1333 0.5617 0.094 Uiso 1 1 calc R . . 
C36 C 0.5034(4) 0.1847(3) 0.61555(7) 0.0662(19) Uani 1 1 d . . . 
H36A H 0.5598 0.1735 0.6261 0.099 Uiso 1 1 calc R . . 
H36B H 0.4247 0.1635 0.6188 0.099 Uiso 1 1 calc R . . 
H36C H 0.4968 0.2404 0.6139 0.099 Uiso 1 1 calc R . . 
C37 C 0.8402(5) -0.0988(3) 0.58991(7) 0.0464(16) Uani 1 1 d . . . 
H37A H 0.7879 -0.0837 0.6009 0.056 Uiso 1 1 calc R . . 
H37B H 0.9245 -0.0904 0.5938 0.056 Uiso 1 1 calc R . . 
C38 C 0.8199(5) -0.1811(3) 0.58460(8) 0.0601(19) Uani 1 1 d . . . 
H38A H 0.7367 -0.1970 0.5874 0.072 Uiso 1 1 calc R . . 
H38B H 0.8760 -0.2153 0.5916 0.072 Uiso 1 1 calc R . . 
C39 C 0.8450(7) -0.1808(3) 0.56249(8) 0.096(3) Uani 1 1 d . . . 
H39A H 0.9313 -0.1883 0.5599 0.115 Uiso 1 1 calc R . . 
H39B H 0.7995 -0.2220 0.5559 0.115 Uiso 1 1 calc R . . 
C40 C 0.8066(5) -0.1068(3) 0.55582(7) 0.0570(18) Uani 1 1 d . . . 
H40A H 0.7240 -0.1097 0.5507 0.068 Uiso 1 1 calc R . . 
H40B H 0.8599 -0.0882 0.5453 0.068 Uiso 1 1 calc R . . 
C41 C -0.0062(5) 0.6721(3) 0.30008(6) 0.0234(13) Uani 1 1 d . . . 
C42 C 0.1109(5) 0.6965(3) 0.29741(6) 0.0261(13) Uani 1 1 d . . . 
C43 C 0.1394(4) 0.7754(3) 0.29810(6) 0.0298(14) Uani 1 1 d . . . 
H43 H 0.2204 0.7910 0.2967 0.036 Uiso 1 1 calc R . . 
C44 C 0.0527(5) 0.8293(3) 0.30069(6) 0.0316(14) Uani 1 1 d . . . 
H44 H 0.0739 0.8820 0.3015 0.038 Uiso 1 1 calc R . . 
C45 C -0.0690(5) 0.8075(3) 0.30215(6) 0.0256(13) Uani 1 1 d . . . 
C46 C -0.0969(5) 0.7288(3) 0.30194(6) 0.0255(13) Uani 1 1 d . . . 
C47 C -0.2204(4) 0.7082(3) 0.30306(6) 0.0308(13) Uani 1 1 d . . . 
H47 H -0.2426 0.6556 0.3027 0.037 Uiso 1 1 calc R . . 
C48 C -0.3074(4) 0.7634(3) 0.30462(6) 0.0356(14) Uani 1 1 d . . . 
H48 H -0.3890 0.7485 0.3051 0.043 Uiso 1 1 calc R . . 
C49 C -0.2781(5) 0.8411(3) 0.30545(6) 0.0300(14) Uani 1 1 d . . . 
H49 H -0.3393 0.8785 0.3068 0.036 Uiso 1 1 calc R . . 
C50 C -0.1615(5) 0.8631(3) 0.30433(6) 0.0287(14) Uani 1 1 d . . . 
H50 H -0.1416 0.9159 0.3050 0.034 Uiso 1 1 calc R . . 
C51 C -0.0357(4) 0.5891(3) 0.30272(7) 0.0251(13) Uani 1 1 d . . . 
C52 C -0.0385(4) 0.5390(3) 0.28746(8) 0.0324(14) Uani 1 1 d . . . 
C53 C -0.0847(4) 0.4630(3) 0.29059(8) 0.0433(16) Uani 1 1 d . . . 
H53 H -0.0893 0.4285 0.2799 0.052 Uiso 1 1 calc R . . 
C54 C -0.1216(4) 0.4395(3) 0.30838(8) 0.0425(16) Uani 1 1 d . . . 
H54 H -0.1525 0.3891 0.3100 0.051 Uiso 1 1 calc R . . 
C55 C -0.1145(4) 0.4892(3) 0.32468(8) 0.0370(15) Uani 1 1 d . . . 
C56 C -0.0714(4) 0.5658(3) 0.32194(7) 0.0290(13) Uani 1 1 d . . . 
C57 C -0.0589(4) 0.6126(3) 0.33860(7) 0.0331(14) Uani 1 1 d . . . 
H57 H -0.0315 0.6639 0.3371 0.040 Uiso 1 1 calc R . . 
C58 C -0.0849(4) 0.5862(3) 0.35664(8) 0.0454(16) Uani 1 1 d . . . 
H58 H -0.0734 0.6186 0.3676 0.055 Uiso 1 1 calc R . . 
C59 C -0.1287(5) 0.5112(4) 0.35947(8) 0.0541(18) Uani 1 1 d . . . 
H59 H -0.1472 0.4933 0.3722 0.065 Uiso 1 1 calc R . . 
C60 C -0.1441(5) 0.4651(3) 0.34380(9) 0.0515(18) Uani 1 1 d . . . 
H60 H -0.1756 0.4151 0.3457 0.062 Uiso 1 1 calc R . . 
C61 C 0.2977(4) 0.6414(3) 0.30374(6) 0.0303(14) Uani 1 1 d . . . 
H61 H 0.3041 0.6772 0.3142 0.036 Uiso 1 1 calc R . . 
C62 C 0.3927(5) 0.5904(3) 0.30043(7) 0.0282(13) Uani 1 1 d . . . 
C63 C 0.4998(5) 0.5789(3) 0.31051(7) 0.0390(15) Uani 1 1 d . . . 
H63 H 0.5279 0.6078 0.3213 0.047 Uiso 1 1 calc R . . 
C64 C 0.5581(5) 0.5166(3) 0.30167(7) 0.0446(16) Uani 1 1 d . . . 
H64 H 0.6323 0.4943 0.3053 0.054 Uiso 1 1 calc R . . 
C65 C 0.4834(5) 0.4945(3) 0.28630(7) 0.0376(15) Uani 1 1 d . . . 
H65 H 0.5009 0.4535 0.2776 0.045 Uiso 1 1 calc R . . 
C66 C -0.0579(4) 0.5473(3) 0.25328(8) 0.0324(14) Uani 1 1 d . . . 
H66 H -0.1402 0.5349 0.2547 0.039 Uiso 1 1 calc R . . 
C67 C -0.0088(5) 0.5535(3) 0.23472(8) 0.0325(14) Uani 1 1 d . . . 
C68 C -0.0621(5) 0.5543(3) 0.21622(8) 0.0413(16) Uani 1 1 d . . . 
H68 H -0.1450 0.5493 0.2135 0.050 Uiso 1 1 calc R . . 
C69 C 0.0287(5) 0.5636(3) 0.20263(7) 0.0387(15) Uani 1 1 d . . . 
H69 H 0.0211 0.5657 0.1888 0.046 Uiso 1 1 calc R . . 
C70 C 0.1333(5) 0.5693(3) 0.21352(7) 0.0359(14) Uani 1 1 d . . . 
H70 H 0.2103 0.5768 0.2080 0.043 Uiso 1 1 calc R . . 
C71 C 0.1254(4) 0.7457(3) 0.24655(7) 0.0571(18) Uani 1 1 d . . . 
H71A H 0.0779 0.7228 0.2360 0.086 Uiso 1 1 calc R . . 
H71B H 0.1023 0.7995 0.2482 0.086 Uiso 1 1 calc R . . 
H71C H 0.1109 0.7179 0.2588 0.086 Uiso 1 1 calc R . . 
C72 C 0.2960(6) 0.7679(3) 0.21373(7) 0.104(3) Uani 1 1 d . . . 
H72A H 0.3782 0.7820 0.2103 0.156 Uiso 1 1 calc R . . 
H72B H 0.2428 0.8116 0.2114 0.156 Uiso 1 1 calc R . . 
H72C H 0.2704 0.7245 0.2056 0.156 Uiso 1 1 calc R . . 
C73 C 0.3680(6) 0.8158(3) 0.25403(8) 0.107(3) Uani 1 1 d . . . 
H73A H 0.3755 0.8002 0.2677 0.161 Uiso 1 1 calc R . . 
H73B H 0.3224 0.8637 0.2533 0.161 Uiso 1 1 calc R . . 
H73C H 0.4478 0.8237 0.2485 0.161 Uiso 1 1 calc R . . 
C74 C 0.4641(5) 0.5098(3) 0.23539(7) 0.0626(19) Uani 1 1 d . . . 
H74A H 0.4295 0.4872 0.2472 0.094 Uiso 1 1 calc R . . 
H74B H 0.5434 0.4876 0.2330 0.094 Uiso 1 1 calc R . . 
H74C H 0.4121 0.4990 0.2242 0.094 Uiso 1 1 calc R . . 
C75 C 0.5376(5) 0.6535(3) 0.21439(7) 0.083(2) Uani 1 1 d . . . 
H75A H 0.4781 0.6443 0.2041 0.124 Uiso 1 1 calc R . . 
H75B H 0.6119 0.6265 0.2111 0.124 Uiso 1 1 calc R . . 
H75C H 0.5535 0.7086 0.2154 0.124 Uiso 1 1 calc R . . 
C76 C 0.6004(4) 0.6396(3) 0.25658(8) 0.084(2) Uani 1 1 d . . . 
H76A H 0.6075 0.6953 0.2580 0.126 Uiso 1 1 calc R . . 
H76B H 0.6763 0.6185 0.2518 0.126 Uiso 1 1 calc R . . 
H76C H 0.5810 0.6169 0.2693 0.126 Uiso 1 1 calc R . . 
C77 C 0.1726(5) 0.3909(3) 0.24469(7) 0.0573(19) Uani 1 1 d . . . 
H77A H 0.2183 0.4051 0.2328 0.069 Uiso 1 1 calc R . . 
H77B H 0.0864 0.3991 0.2421 0.069 Uiso 1 1 calc R . . 
C78 C 0.1951(6) 0.3106(3) 0.24987(8) 0.069(2) Uani 1 1 d . . . 
H78A H 0.2766 0.2948 0.2460 0.082 Uiso 1 1 calc R . . 
H78B H 0.1361 0.2762 0.2436 0.082 Uiso 1 1 calc R . . 
C79 C 0.1812(6) 0.3099(3) 0.27226(8) 0.082(2) Uani 1 1 d . . . 
H79A H 0.0967 0.3018 0.2761 0.099 Uiso 1 1 calc R . . 
H79B H 0.2309 0.2691 0.2782 0.099 Uiso 1 1 calc R . . 
C80 C 0.2224(5) 0.3854(3) 0.27818(7) 0.0488(17) Uani 1 1 d . . . 
H80A H 0.3069 0.3827 0.2825 0.059 Uiso 1 1 calc R . . 
H80B H 0.1735 0.4046 0.2892 0.059 Uiso 1 1 calc R . . 
C81 C 0.4548(4) 0.8847(3) 0.36308(7) 0.0248(13) Uani 1 1 d . . . 
C82 C 0.4486(4) 0.9353(3) 0.37852(7) 0.0298(13) Uani 1 1 d . . . 
C83 C 0.3921(4) 1.0064(3) 0.37611(7) 0.0340(14) Uani 1 1 d . . . 
H83 H 0.3867 1.0402 0.3869 0.041 Uiso 1 1 calc R . . 
C84 C 0.3452(4) 1.0281(3) 0.35889(8) 0.0384(15) Uani 1 1 d . . . 
H84 H 0.3036 1.0754 0.3579 0.046 Uiso 1 1 calc R . . 
C85 C 0.3576(4) 0.9801(3) 0.34216(7) 0.0326(14) Uani 1 1 d . . . 
C86 C 0.4144(4) 0.9081(3) 0.34435(7) 0.0266(13) Uani 1 1 d . . . 
C87 C 0.4327(4) 0.8627(3) 0.32758(7) 0.0291(13) Uani 1 1 d . . . 
H87 H 0.4700 0.8140 0.3289 0.035 Uiso 1 1 calc R . . 
C88 C 0.3982(4) 0.8872(3) 0.30958(7) 0.0369(15) Uani 1 1 d . . . 
H88 H 0.4141 0.8564 0.2984 0.044 Uiso 1 1 calc R . . 
C89 C 0.3397(4) 0.9572(3) 0.30743(7) 0.0415(16) Uani 1 1 d . . . 
H89 H 0.3144 0.9735 0.2948 0.050 Uiso 1 1 calc R . . 
C90 C 0.3186(4) 1.0022(3) 0.32323(8) 0.0434(15) Uani 1 1 d . . . 
H90 H 0.2770 1.0493 0.3216 0.052 Uiso 1 1 calc R . . 
C91 C 0.4944(5) 0.8037(3) 0.36510(6) 0.0264(13) Uani 1 1 d . . . 
C92 C 0.6138(5) 0.7835(3) 0.36725(6) 0.0280(13) Uani 1 1 d . . . 
C93 C 0.6544(5) 0.7077(3) 0.36582(6) 0.0355(14) Uani 1 1 d . . . 
H93 H 0.7373 0.6962 0.3665 0.043 Uiso 1 1 calc R . . 
C94 C 0.5708(5) 0.6498(3) 0.36332(7) 0.0393(15) Uani 1 1 d . . . 
H94 H 0.5975 0.5983 0.3624 0.047 Uiso 1 1 calc R . . 
C95 C 0.4467(5) 0.6654(3) 0.36217(7) 0.0351(15) Uani 1 1 d . . . 
C96 C 0.4091(5) 0.7432(3) 0.36329(6) 0.0263(13) Uani 1 1 d . . . 
C97 C 0.2849(5) 0.7592(3) 0.36224(6) 0.0365(14) Uani 1 1 d . . . 
H97 H 0.2576 0.8107 0.3627 0.044 Uiso 1 1 calc R . . 
C98 C 0.2034(5) 0.6999(3) 0.36048(7) 0.0402(15) Uani 1 1 d . . . 
H98 H 0.1203 0.7111 0.3603 0.048 Uiso 1 1 calc R . . 
C99 C 0.2419(6) 0.6235(3) 0.35893(7) 0.0472(17) Uani 1 1 d . . . 
H99 H 0.1850 0.5836 0.3573 0.057 Uiso 1 1 calc R . . 
C100 C 0.3594(6) 0.6068(3) 0.35969(7) 0.0415(16) Uani 1 1 d . . . 
H100 H 0.3845 0.5550 0.3585 0.050 Uiso 1 1 calc R . . 
C101 C 0.4392(4) 0.9293(3) 0.41294(8) 0.0401(15) Uani 1 1 d . . . 
H101 H 0.3563 0.9406 0.4119 0.048 Uiso 1 1 calc R . . 
C102 C 0.4930(5) 0.9261(3) 0.43126(7) 0.0335(14) Uani 1 1 d . . . 
C103 C 0.4457(5) 0.9318(3) 0.45019(8) 0.0440(16) Uani 1 1 d . . . 
H103 H 0.3642 0.9405 0.4534 0.053 Uiso 1 1 calc R . . 
C104 C 0.5379(5) 0.9226(3) 0.46321(8) 0.0511(17) Uani 1 1 d . . . 
H104 H 0.5338 0.9237 0.4771 0.061 Uiso 1 1 calc R . . 
C105 C 0.6390(5) 0.9112(3) 0.45163(7) 0.0415(15) Uani 1 1 d . . . 
H105 H 0.7169 0.9032 0.4568 0.050 Uiso 1 1 calc R . . 
C106 C 0.7908(5) 0.8518(3) 0.35959(7) 0.0333(14) Uani 1 1 d . . . 
H106 H 0.8004 0.8183 0.3488 0.040 Uiso 1 1 calc R . . 
C107 C 0.8755(5) 0.9109(3) 0.36275(7) 0.0363(15) Uani 1 1 d . . . 
C108 C 0.9733(4) 0.9333(3) 0.35156(7) 0.0479(17) Uani 1 1 d . . . 
H108 H 1.0023 0.9086 0.3401 0.058 Uiso 1 1 calc R . . 
C109 C 1.0203(5) 0.9984(3) 0.36029(8) 0.0527(18) Uani 1 1 d . . . 
H109 H 1.0872 1.0273 0.3560 0.063 Uiso 1 1 calc R . . 
C110 C 0.9500(5) 1.0128(3) 0.37661(8) 0.0466(17) Uani 1 1 d . . . 
H110 H 0.9627 1.0543 0.3854 0.056 Uiso 1 1 calc R . . 
C111 C 0.8962(5) 0.6709(3) 0.41049(8) 0.090(2) Uani 1 1 d . . . 
H11A H 0.9010 0.6847 0.3966 0.135 Uiso 1 1 calc R . . 
H11B H 0.8558 0.6213 0.4118 0.135 Uiso 1 1 calc R . . 
H11C H 0.9771 0.6673 0.4159 0.135 Uiso 1 1 calc R . . 
C112 C 0.6466(4) 0.7327(3) 0.41783(7) 0.0584(18) Uani 1 1 d . . . 
H11D H 0.5974 0.7636 0.4267 0.088 Uiso 1 1 calc R . . 
H11E H 0.6254 0.6784 0.4193 0.088 Uiso 1 1 calc R . . 
H11F H 0.6323 0.7489 0.4043 0.088 Uiso 1 1 calc R . . 
C113 C 0.8189(5) 0.7215(3) 0.45073(7) 0.081(2) Uani 1 1 d . . . 
H11G H 0.9027 0.7225 0.4549 0.121 Uiso 1 1 calc R . . 
H11H H 0.7859 0.6701 0.4528 0.121 Uiso 1 1 calc R . . 
H11I H 0.7730 0.7589 0.4583 0.121 Uiso 1 1 calc R . . 
C114 C 1.0966(4) 0.8552(3) 0.40058(7) 0.0625(18) Uani 1 1 d . . . 
H11J H 1.1017 0.8000 0.3980 0.094 Uiso 1 1 calc R . . 
H11K H 1.1764 0.8750 0.4036 0.094 Uiso 1 1 calc R . . 
H11L H 1.0653 0.8815 0.3890 0.094 Uiso 1 1 calc R . . 
C115 C 0.9802(4) 0.9779(3) 0.42706(7) 0.0494(17) Uani 1 1 d . . . 
H11M H 0.9306 1.0020 0.4170 0.074 Uiso 1 1 calc R . . 
H11N H 1.0599 1.0012 0.4270 0.074 Uiso 1 1 calc R . . 
H11O H 0.9430 0.9854 0.4399 0.074 Uiso 1 1 calc R . . 
C116 C 1.0710(5) 0.8321(3) 0.44416(7) 0.067(2) Uani 1 1 d . . . 
H11P H 1.0221 0.8421 0.4558 0.100 Uiso 1 1 calc R . . 
H11Q H 1.1493 0.8567 0.4457 0.100 Uiso 1 1 calc R . . 
H11R H 1.0818 0.7767 0.4426 0.100 Uiso 1 1 calc R . . 
C117 C 0.6789(4) 1.1025(3) 0.39232(7) 0.0393(15) Uani 1 1 d . . . 
H11S H 0.5919 1.1110 0.3906 0.047 Uiso 1 1 calc R . . 
H11T H 0.7136 1.0874 0.3796 0.047 Uiso 1 1 calc R . . 
C118 C 0.7390(5) 1.1744(3) 0.40004(7) 0.0495(17) Uani 1 1 d . . . 
H11U H 0.6919 1.2206 0.3967 0.059 Uiso 1 1 calc R . . 
H11V H 0.8207 1.1798 0.3946 0.059 Uiso 1 1 calc R . . 
C119 C 0.7429(5) 1.1623(3) 0.42222(7) 0.0516(17) Uani 1 1 d . . . 
H11W H 0.8264 1.1636 0.4270 0.062 Uiso 1 1 calc R . . 
H11$ H 0.6965 1.2026 0.4290 0.062 Uiso 1 1 calc R . . 
C120 C 0.6874(4) 1.0836(3) 0.42572(6) 0.0401(15) Uani 1 1 d . . . 
H12A H 0.7300 1.0559 0.4363 0.048 Uiso 1 1 calc R . . 
H12B H 0.6019 1.0883 0.4293 0.048 Uiso 1 1 calc R . . 
C121 C 0.1261(5) 0.2085(3) 0.32545(8) 0.073(2) Uani 1 1 d . . . 
H12C H 0.1710 0.1736 0.3170 0.110 Uiso 1 1 calc R . . 
H12D H 0.0463 0.2172 0.3199 0.110 Uiso 1 1 calc R . . 
H12E H 0.1184 0.1858 0.3385 0.110 Uiso 1 1 calc R . . 
C122 C 0.1909(6) 0.2830(3) 0.32694(7) 0.0411(16) Uani 1 1 d . . . 
C123 C 0.1297(5) 0.3500(3) 0.33150(7) 0.0466(17) Uani 1 1 d . . . 
H123 H 0.0462 0.3472 0.3340 0.056 Uiso 1 1 calc R . . 
C124 C 0.1848(5) 0.4199(4) 0.33259(7) 0.0442(16) Uani 1 1 d . . . 
H124 H 0.1406 0.4643 0.3360 0.053 Uiso 1 1 calc R . . 
C125 C 0.3068(6) 0.4250(3) 0.32859(7) 0.0525(18) Uani 1 1 d . . . 
H125 H 0.3460 0.4732 0.3290 0.063 Uiso 1 1 calc R . . 
C126 C 0.3714(5) 0.3585(4) 0.32394(7) 0.0477(17) Uani 1 1 d . . . 
H126 H 0.4550 0.3609 0.3215 0.057 Uiso 1 1 calc R . . 
C127 C 0.3105(5) 0.2884(3) 0.32292(7) 0.0450(16) Uani 1 1 d . . . 
H127 H 0.3533 0.2434 0.3193 0.054 Uiso 1 1 calc R . . 
C128 C 0.6674(5) 0.0291(3) 0.33112(7) 0.0547(18) Uani 1 1 d . . . 
H12F H 0.6372 -0.0026 0.3419 0.082 Uiso 1 1 calc R . . 
H12G H 0.7456 0.0099 0.3269 0.082 Uiso 1 1 calc R . . 
H12H H 0.6112 0.0269 0.3201 0.082 Uiso 1 1 calc R . . 
C129 C 0.6797(5) 0.1116(3) 0.33801(7) 0.0352(15) Uani 1 1 d . . . 
C130 C 0.5790(5) 0.1550(3) 0.34181(7) 0.0445(16) Uani 1 1 d . . . 
H130 H 0.5018 0.1342 0.3394 0.053 Uiso 1 1 calc R . . 
C131 C 0.5906(5) 0.2288(3) 0.34908(7) 0.0453(16) Uani 1 1 d . . . 
H131 H 0.5211 0.2585 0.3517 0.054 Uiso 1 1 calc R . . 
C132 C 0.7005(6) 0.2591(3) 0.35256(7) 0.0485(16) Uani 1 1 d . . . 
H132 H 0.7081 0.3094 0.3577 0.058 Uiso 1 1 calc R . . 
C133 C 0.8015(5) 0.2159(3) 0.34847(7) 0.0508(17) Uani 1 1 d . . . 
H133 H 0.8786 0.2372 0.3506 0.061 Uiso 1 1 calc R . . 
C134 C 0.7912(5) 0.1427(3) 0.34146(7) 0.0450(16) Uani 1 1 d . . . 
H134 H 0.8610 0.1132 0.3390 0.054 Uiso 1 1 calc R . . 
C135 C 0.3882(10) 0.7819(6) 0.49375(16) 0.071(4) Uani 0.570(7) 1 d PU A 1 
H13A H 0.4703 0.7759 0.4985 0.106 Uiso 0.570(7) 1 calc PR A 1 
H13B H 0.3454 0.8186 0.5020 0.106 Uiso 0.570(7) 1 calc PR A 1 
H13C H 0.3899 0.8010 0.4803 0.106 Uiso 0.570(7) 1 calc PR A 1 
C136 C 0.3276(8) 0.7085(4) 0.49432(11) 0.053(4) Uani 0.570(7) 1 d PGU A 1 
C137 C 0.3911(6) 0.6455(5) 0.50118(11) 0.044(4) Uani 0.570(7) 1 d PGU A 1 
H13D H 0.4713 0.6515 0.5055 0.052 Uiso 0.570(7) 1 calc PR A 1 
C138 C 0.3371(8) 0.5738(4) 0.50175(12) 0.055(4) Uani 0.570(7) 1 d PGU A 1 
H13E H 0.3805 0.5307 0.5064 0.066 Uiso 0.570(7) 1 calc PR A 1 
C139 C 0.2196(8) 0.5650(4) 0.49547(10) 0.056(4) Uani 0.570(7) 1 d PGU A 1 
H13F H 0.1827 0.5160 0.4959 0.068 Uiso 0.570(7) 1 calc PR A 1 
C140 C 0.1562(6) 0.6280(5) 0.48861(12) 0.068(4) Uani 0.570(7) 1 d PGU A 1 
H14A H 0.0759 0.6221 0.4843 0.082 Uiso 0.570(7) 1 calc PR A 1 
C141 C 0.2102(8) 0.6998(4) 0.48803(13) 0.049(4) Uani 0.570(7) 1 d PGU A 1 
H14B H 0.1668 0.7429 0.4833 0.059 Uiso 0.570(7) 1 calc PR A 1 
C142 C 0.3358(13) 0.5364(8) 0.5034(3) 0.053(5) Uani 0.430(7) 1 d PU A 2 
H14C H 0.4185 0.5259 0.5074 0.079 Uiso 0.430(7) 1 calc PR A 2 
H14D H 0.3136 0.5022 0.4926 0.079 Uiso 0.430(7) 1 calc PR A 2 
H14E H 0.2823 0.5276 0.5145 0.079 Uiso 0.430(7) 1 calc PR A 2 
C143 C 0.3253(10) 0.6193(4) 0.49677(14) 0.031(4) Uani 0.430(7) 1 d PGU A 2 
C144 C 0.4274(8) 0.6645(6) 0.49563(17) 0.055(6) Uani 0.430(7) 1 d PGU A 2 
H14F H 0.5024 0.6445 0.4997 0.066 Uiso 0.430(7) 1 calc PR A 2 
C145 C 0.4200(9) 0.7389(6) 0.48848(17) 0.079(6) Uani 0.430(7) 1 d PGU A 2 
H14G H 0.4898 0.7698 0.4877 0.095 Uiso 0.430(7) 1 calc PR A 2 
C146 C 0.3103(11) 0.7681(4) 0.48246(15) 0.067(5) Uani 0.430(7) 1 d PGU A 2 
H14H H 0.3052 0.8190 0.4776 0.080 Uiso 0.430(7) 1 calc PR A 2 
C147 C 0.2081(8) 0.7229(7) 0.48360(17) 0.057(6) Uani 0.430(7) 1 d PGU A 2 
H14I H 0.1332 0.7429 0.4795 0.069 Uiso 0.430(7) 1 calc PR A 2 
C148 C 0.2156(8) 0.6485(6) 0.49075(16) 0.049(5) Uani 0.430(7) 1 d PGU A 2 
H14J H 0.1458 0.6176 0.4915 0.058 Uiso 0.430(7) 1 calc PR A 2 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Y1 N5 2.227(4) . ? 
Y1 O1 2.368(3) . ? 
Y1 N3 2.396(4) . ? 
Y1 N4 2.398(4) . ? 
Y1 N2 2.445(4) . ? 
Y1 N1 2.468(4) . ? 
Y2 N10 2.234(4) . ? 
Y2 O2 2.359(3) . ? 
Y2 N9 2.403(4) . ? 
Y2 N8 2.416(4) . ? 
Y2 N6 2.435(3) . ? 
Y2 N7 2.473(4) . ? 
Y3 N15 2.245(4) . ? 
Y3 O3 2.343(3) . ? 
Y3 N13 2.389(4) . ? 
Y3 N14 2.412(4) . ? 
Y3 N12 2.441(4) . ? 
Y3 N11 2.472(4) . ? 
Si1 N5 1.712(4) . ? 
Si1 C33 1.882(4) . ? 
Si1 C31 1.892(4) . ? 
Si1 C32 1.896(5) . ? 
Si2 N5 1.712(4) . ? 
Si2 C35 1.864(5) . ? 
Si2 C36 1.870(5) . ? 
Si2 C34 1.876(5) . ? 
Si3 N10 1.692(4) . ? 
Si3 C73 1.852(5) . ? 
Si3 C72 1.874(5) . ? 
Si3 C71 1.885(5) . ? 
Si4 N10 1.710(4) . ? 
Si4 C76 1.878(5) . ? 
Si4 C74 1.883(5) . ? 
Si4 C75 1.901(5) . ? 
Si5 N15 1.695(4) . ? 
Si5 C111 1.880(5) . ? 
Si5 C113 1.883(5) . ? 
Si5 C112 1.884(5) . ? 
Si6 N15 1.716(4) . ? 
Si6 C115 1.880(5) . ? 
Si6 C114 1.882(5) . ? 
Si6 C116 1.887(5) . ? 
N1 C21 1.321(5) . ? 
N1 C2 1.424(5) . ? 
N2 C26 1.305(5) . ? 
N2 C12 1.415(5) . ? 
N3 C25 1.345(5) . ? 
N3 C22 1.394(5) . ? 
N4 C30 1.348(6) . ? 
N4 C27 1.388(6) . ? 
N6 C61 1.294(5) . ? 
N6 C42 1.426(5) . ? 
N7 C66 1.313(5) . ? 
N7 C52 1.419(6) . ? 
N8 C65 1.361(5) . ? 
N8 C62 1.389(5) . ? 
N9 C70 1.341(5) . ? 
N9 C67 1.379(5) . ? 
N11 C101 1.319(5) . ? 
N11 C82 1.435(5) . ? 
N12 C106 1.308(5) . ? 
N12 C92 1.435(5) . ? 
N13 C105 1.338(5) . ? 
N13 C102 1.381(5) . ? 
N14 C110 1.361(5) . ? 
N14 C107 1.393(6) . ? 
O1 C37 1.448(5) . ? 
O1 C40 1.467(5) . ? 
O2 C77 1.460(5) . ? 
O2 C80 1.470(5) . ? 
O3 C117 1.457(5) . ? 
O3 C120 1.470(4) . ? 
C1 C2 1.377(6) . ? 
C1 C6 1.422(6) . ? 
C1 C11 1.502(6) . ? 
C2 C3 1.418(6) . ? 
C3 C4 1.355(6) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.423(6) . ? 
C4 H4 0.9500 . ? 
C5 C10 1.404(6) . ? 
C5 C6 1.428(6) . ? 
C6 C7 1.397(6) . ? 
C7 C8 1.359(6) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.423(6) . ? 
C8 H8 0.9500 . ? 
C9 C10 1.354(6) . ? 
C9 H9 0.9500 . ? 
C10 H10 0.9500 . ? 
C11 C12 1.380(6) . ? 
C11 C16 1.419(6) . ? 
C12 C13 1.436(6) . ? 
C13 C14 1.355(6) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.419(6) . ? 
C14 H14 0.9500 . ? 
C15 C20 1.408(6) . ? 
C15 C16 1.423(6) . ? 
C16 C17 1.436(6) . ? 
C17 C18 1.362(6) . ? 
C17 H17 0.9500 . ? 
C18 C19 1.409(7) . ? 
C18 H18 0.9500 . ? 
C19 C20 1.383(6) . ? 
C19 H19 0.9500 . ? 
C20 H20 0.9500 . ? 
C21 C22 1.399(6) . ? 
C21 H21 0.9500 . ? 
C22 C23 1.394(6) . ? 
C23 C24 1.374(6) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.393(6) . ? 
C24 H24 0.9500 . ? 
C25 H25 0.9500 . ? 
C26 C27 1.397(6) . ? 
C26 H26 0.9500 . ? 
C27 C28 1.408(6) . ? 
C28 C29 1.369(7) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.388(7) . ? 
C29 H29 0.9500 . ? 
C30 H30 0.9500 . ? 
C31 H31A 0.9800 . ? 
C31 H31B 0.9800 . ? 
C31 H31C 0.9800 . ? 
C32 H32A 0.9800 . ? 
C32 H32B 0.9800 . ? 
C32 H32C 0.9800 . ? 
C33 H33A 0.9800 . ? 
C33 H33B 0.9800 . ? 
C33 H33C 0.9800 . ? 
C34 H34A 0.9800 . ? 
C34 H34B 0.9800 . ? 
C34 H34C 0.9800 . ? 
C35 H35A 0.9800 . ? 
C35 H35B 0.9800 . ? 
C35 H35C 0.9800 . ? 
C36 H36A 0.9800 . ? 
C36 H36B 0.9800 . ? 
C36 H36C 0.9800 . ? 
C37 C38 1.497(6) . ? 
C37 H37A 0.9900 . ? 
C37 H37B 0.9900 . ? 
C38 C39 1.540(7) . ? 
C38 H38A 0.9900 . ? 
C38 H38B 0.9900 . ? 
C39 C40 1.435(6) . ? 
C39 H39A 0.9900 . ? 
C39 H39B 0.9900 . ? 
C40 H40A 0.9900 . ? 
C40 H40B 0.9900 . ? 
C41 C42 1.389(6) . ? 
C41 C46 1.421(6) . ? 
C41 C51 1.496(6) . ? 
C42 C43 1.413(6) . ? 
C43 C44 1.363(6) . ? 
C43 H43 0.9500 . ? 
C44 C45 1.416(6) . ? 
C44 H44 0.9500 . ? 
C45 C46 1.407(6) . ? 
C45 C50 1.425(6) . ? 
C46 C47 1.430(6) . ? 
C47 C48 1.373(5) . ? 
C47 H47 0.9500 . ? 
C48 C49 1.395(6) . ? 
C48 H48 0.9500 . ? 
C49 C50 1.361(6) . ? 
C49 H49 0.9500 . ? 
C50 H50 0.9500 . ? 
C51 C52 1.362(6) . ? 
C51 C56 1.434(6) . ? 
C52 C53 1.439(6) . ? 
C53 C54 1.349(6) . ? 
C53 H53 0.9500 . ? 
C54 C55 1.416(6) . ? 
C54 H54 0.9500 . ? 
C55 C60 1.414(6) . ? 
C55 C56 1.433(6) . ? 
C56 C57 1.409(6) . ? 
C57 C58 1.351(6) . ? 
C57 H57 0.9500 . ? 
C58 C59 1.410(7) . ? 
C58 H58 0.9500 . ? 
C59 C60 1.351(7) . ? 
C59 H59 0.9500 . ? 
C60 H60 0.9500 . ? 
C61 C62 1.404(6) . ? 
C61 H61 0.9500 . ? 
C62 C63 1.396(6) . ? 
C63 C64 1.404(6) . ? 
C63 H63 0.9500 . ? 
C64 C65 1.398(6) . ? 
C64 H64 0.9500 . ? 
C65 H65 0.9500 . ? 
C66 C67 1.388(6) . ? 
C66 H66 0.9500 . ? 
C67 C68 1.400(6) . ? 
C68 C69 1.387(6) . ? 
C68 H68 0.9500 . ? 
C69 C70 1.390(6) . ? 
C69 H69 0.9500 . ? 
C70 H70 0.9500 . ? 
C71 H71A 0.9800 . ? 
C71 H71B 0.9800 . ? 
C71 H71C 0.9800 . ? 
C72 H72A 0.9800 . ? 
C72 H72B 0.9800 . ? 
C72 H72C 0.9800 . ? 
C73 H73A 0.9800 . ? 
C73 H73B 0.9800 . ? 
C73 H73C 0.9800 . ? 
C74 H74A 0.9800 . ? 
C74 H74B 0.9800 . ? 
C74 H74C 0.9800 . ? 
C75 H75A 0.9800 . ? 
C75 H75B 0.9800 . ? 
C75 H75C 0.9800 . ? 
C76 H76A 0.9800 . ? 
C76 H76B 0.9800 . ? 
C76 H76C 0.9800 . ? 
C77 C78 1.465(6) . ? 
C77 H77A 0.9900 . ? 
C77 H77B 0.9900 . ? 
C78 C79 1.541(6) . ? 
C78 H78A 0.9900 . ? 
C78 H78B 0.9900 . ? 
C79 C80 1.452(6) . ? 
C79 H79A 0.9900 . ? 
C79 H79B 0.9900 . ? 
C80 H80A 0.9900 . ? 
C80 H80B 0.9900 . ? 
C81 C82 1.379(6) . ? 
C81 C86 1.419(6) . ? 
C81 C91 1.487(6) . ? 
C82 C83 1.401(6) . ? 
C83 C84 1.344(6) . ? 
C83 H83 0.9500 . ? 
C84 C85 1.425(6) . ? 
C84 H84 0.9500 . ? 
C85 C86 1.415(6) . ? 
C85 C90 1.420(6) . ? 
C86 C87 1.410(6) . ? 
C87 C88 1.361(6) . ? 
C87 H87 0.9500 . ? 
C88 C89 1.393(6) . ? 
C88 H88 0.9500 . ? 
C89 C90 1.358(6) . ? 
C89 H89 0.9500 . ? 
C90 H90 0.9500 . ? 
C91 C92 1.389(6) . ? 
C91 C96 1.429(6) . ? 
C92 C93 1.401(6) . ? 
C93 C94 1.386(6) . ? 
C93 H93 0.9500 . ? 
C94 C95 1.416(6) . ? 
C94 H94 0.9500 . ? 
C95 C100 1.422(6) . ? 
C95 C96 1.423(6) . ? 
C96 C97 1.418(6) . ? 
C97 C98 1.383(6) . ? 
C97 H97 0.9500 . ? 
C98 C99 1.404(6) . ? 
C98 H98 0.9500 . ? 
C99 C100 1.347(6) . ? 
C99 H99 0.9500 . ? 
C100 H100 0.9500 . ? 
C101 C102 1.392(6) . ? 
C101 H101 0.9500 . ? 
C102 C103 1.403(6) . ? 
C103 C104 1.372(6) . ? 
C103 H103 0.9500 . ? 
C104 C105 1.394(6) . ? 
C104 H104 0.9500 . ? 
C105 H105 0.9500 . ? 
C106 C107 1.417(6) . ? 
C106 H106 0.9500 . ? 
C107 C108 1.391(6) . ? 
C108 C109 1.387(7) . ? 
C108 H108 0.9500 . ? 
C109 C110 1.389(6) . ? 
C109 H109 0.9500 . ? 
C110 H110 0.9500 . ? 
C111 H11A 0.9800 . ? 
C111 H11B 0.9800 . ? 
C111 H11C 0.9800 . ? 
C112 H11D 0.9800 . ? 
C112 H11E 0.9800 . ? 
C112 H11F 0.9800 . ? 
C113 H11G 0.9800 . ? 
C113 H11H 0.9800 . ? 
C113 H11I 0.9800 . ? 
C114 H11J 0.9800 . ? 
C114 H11K 0.9800 . ? 
C114 H11L 0.9800 . ? 
C115 H11M 0.9800 . ? 
C115 H11N 0.9800 . ? 
C115 H11O 0.9800 . ? 
C116 H11P 0.9800 . ? 
C116 H11Q 0.9800 . ? 
C116 H11R 0.9800 . ? 
C117 C118 1.518(6) . ? 
C117 H11S 0.9900 . ? 
C117 H11T 0.9900 . ? 
C118 C119 1.534(6) . ? 
C118 H11U 0.9900 . ? 
C118 H11V 0.9900 . ? 
C119 C120 1.525(5) . ? 
C119 H11W 0.9900 . ? 
C119 H11$ 0.9900 . ? 
C120 H12A 0.9900 . ? 
C120 H12B 0.9900 . ? 
C121 C122 1.491(6) . ? 
C121 H12C 0.9800 . ? 
C121 H12D 0.9800 . ? 
C121 H12E 0.9800 . ? 
C122 C127 1.369(7) . ? 
C122 C123 1.390(6) . ? 
C123 C124 1.367(7) . ? 
C123 H123 0.9500 . ? 
C124 C125 1.393(6) . ? 
C124 H124 0.9500 . ? 
C125 C126 1.403(6) . ? 
C125 H125 0.9500 . ? 
C126 C127 1.401(6) . ? 
C126 H126 0.9500 . ? 
C127 H127 0.9500 . ? 
C128 C129 1.520(6) . ? 
C128 H12F 0.9800 . ? 
C128 H12G 0.9800 . ? 
C128 H12H 0.9800 . ? 
C129 C134 1.380(6) . ? 
C129 C130 1.382(6) . ? 
C130 C131 1.387(6) . ? 
C130 H130 0.9500 . ? 
C131 C132 1.358(6) . ? 
C131 H131 0.9500 . ? 
C132 C133 1.386(6) . ? 
C132 H132 0.9500 . ? 
C133 C134 1.368(6) . ? 
C133 H133 0.9500 . ? 
C134 H134 0.9500 . ? 
C135 C136 1.449(11) . ? 
C135 H13A 0.9800 . ? 
C135 H13B 0.9800 . ? 
C135 H13C 0.9800 . ? 
C136 C137 1.3900 . ? 
C136 C141 1.3900 . ? 
C137 C138 1.3900 . ? 
C137 H13D 0.9500 . ? 
C138 C139 1.3900 . ? 
C138 H13E 0.9500 . ? 
C139 C140 1.3900 . ? 
C139 H13F 0.9500 . ? 
C140 C141 1.3900 . ? 
C140 H14A 0.9500 . ? 
C141 H14B 0.9500 . ? 
C142 C143 1.521(16) . ? 
C142 H14C 0.9800 . ? 
C142 H14D 0.9800 . ? 
C142 H14E 0.9800 . ? 
C143 C144 1.3900 . ? 
C143 C148 1.3900 . ? 
C144 C145 1.3900 . ? 
C144 H14F 0.9500 . ? 
C145 C146 1.3900 . ? 
C145 H14G 0.9500 . ? 
C146 C147 1.3900 . ? 
C146 H14H 0.9500 . ? 
C147 C148 1.3900 . ? 
C147 H14I 0.9500 . ? 
C148 H14J 0.9500 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
N5 Y1 O1 130.85(12) . . ? 
N5 Y1 N3 84.85(13) . . ? 
O1 Y1 N3 80.32(11) . . ? 
N5 Y1 N4 95.23(14) . . ? 
O1 Y1 N4 79.57(13) . . ? 
N3 Y1 N4 153.32(14) . . ? 
N5 Y1 N2 98.99(12) . . ? 
O1 Y1 N2 123.48(11) . . ? 
N3 Y1 N2 136.66(14) . . ? 
N4 Y1 N2 69.79(14) . . ? 
N5 Y1 N1 133.58(14) . . ? 
O1 Y1 N1 83.19(11) . . ? 
N3 Y1 N1 69.29(13) . . ? 
N4 Y1 N1 125.02(13) . . ? 
N2 Y1 N1 77.77(13) . . ? 
N10 Y2 O2 129.95(12) . . ? 
N10 Y2 N9 84.58(13) . . ? 
O2 Y2 N9 82.51(11) . . ? 
N10 Y2 N8 93.25(13) . . ? 
O2 Y2 N8 80.21(12) . . ? 
N9 Y2 N8 155.44(14) . . ? 
N10 Y2 N6 101.31(12) . . ? 
O2 Y2 N6 121.54(11) . . ? 
N9 Y2 N6 134.93(13) . . ? 
N8 Y2 N6 69.51(13) . . ? 
N10 Y2 N7 136.29(13) . . ? 
O2 Y2 N7 81.11(11) . . ? 
N9 Y2 N7 68.19(13) . . ? 
N8 Y2 N7 125.49(13) . . ? 
N6 Y2 N7 78.09(12) . . ? 
N15 Y3 O3 124.55(12) . . ? 
N15 Y3 N13 85.13(14) . . ? 
O3 Y3 N13 79.62(11) . . ? 
N15 Y3 N14 96.03(14) . . ? 
O3 Y3 N14 78.68(12) . . ? 
N13 Y3 N14 154.34(14) . . ? 
N15 Y3 N12 101.44(13) . . ? 
O3 Y3 N12 126.38(12) . . ? 
N13 Y3 N12 135.23(14) . . ? 
N14 Y3 N12 69.79(14) . . ? 
N15 Y3 N11 138.02(14) . . ? 
O3 Y3 N11 83.42(11) . . ? 
N13 Y3 N11 68.58(13) . . ? 
N14 Y3 N11 121.89(13) . . ? 
N12 Y3 N11 78.33(13) . . ? 
N5 Si1 C33 111.7(2) . . ? 
N5 Si1 C31 116.3(2) . . ? 
C33 Si1 C31 105.4(2) . . ? 
N5 Si1 C32 110.6(2) . . ? 
C33 Si1 C32 108.4(2) . . ? 
C31 Si1 C32 103.9(2) . . ? 
N5 Si2 C35 112.5(2) . . ? 
N5 Si2 C36 114.8(2) . . ? 
C35 Si2 C36 105.9(2) . . ? 
N5 Si2 C34 108.5(2) . . ? 
C35 Si2 C34 109.4(2) . . ? 
C36 Si2 C34 105.5(2) . . ? 
N10 Si3 C73 111.5(2) . . ? 
N10 Si3 C72 116.0(2) . . ? 
C73 Si3 C72 106.9(3) . . ? 
N10 Si3 C71 109.7(2) . . ? 
C73 Si3 C71 107.7(3) . . ? 
C72 Si3 C71 104.5(2) . . ? 
N10 Si4 C76 112.6(2) . . ? 
N10 Si4 C74 108.3(2) . . ? 
C76 Si4 C74 110.5(3) . . ? 
N10 Si4 C75 115.8(2) . . ? 
C76 Si4 C75 104.2(3) . . ? 
C74 Si4 C75 105.1(2) . . ? 
N15 Si5 C111 112.6(2) . . ? 
N15 Si5 C113 115.6(2) . . ? 
C111 Si5 C113 106.7(2) . . ? 
N15 Si5 C112 109.8(2) . . ? 
C111 Si5 C112 107.4(3) . . ? 
C113 Si5 C112 104.1(2) . . ? 
N15 Si6 C115 108.1(2) . . ? 
N15 Si6 C114 112.6(2) . . ? 
C115 Si6 C114 110.6(2) . . ? 
N15 Si6 C116 114.1(2) . . ? 
C115 Si6 C116 104.4(2) . . ? 
C114 Si6 C116 106.7(2) . . ? 
C21 N1 C2 118.3(4) . . ? 
C21 N1 Y1 114.5(3) . . ? 
C2 N1 Y1 125.2(3) . . ? 
C26 N2 C12 119.8(4) . . ? 
C26 N2 Y1 112.5(3) . . ? 
C12 N2 Y1 125.0(3) . . ? 
C25 N3 C22 104.8(4) . . ? 
C25 N3 Y1 139.0(3) . . ? 
C22 N3 Y1 115.6(3) . . ? 
C30 N4 C27 103.8(5) . . ? 
C30 N4 Y1 142.0(4) . . ? 
C27 N4 Y1 113.1(4) . . ? 
Si2 N5 Si1 125.0(2) . . ? 
Si2 N5 Y1 115.27(19) . . ? 
Si1 N5 Y1 119.4(2) . . ? 
C61 N6 C42 118.5(4) . . ? 
C61 N6 Y2 113.0(3) . . ? 
C42 N6 Y2 126.0(3) . . ? 
C66 N7 C52 119.0(4) . . ? 
C66 N7 Y2 115.3(3) . . ? 
C52 N7 Y2 122.7(3) . . ? 
C65 N8 C62 105.0(4) . . ? 
C65 N8 Y2 140.8(3) . . ? 
C62 N8 Y2 112.3(3) . . ? 
C70 N9 C67 105.8(4) . . ? 
C70 N9 Y2 137.9(4) . . ? 
C67 N9 Y2 116.2(3) . . ? 
Si3 N10 Si4 125.1(2) . . ? 
Si3 N10 Y2 118.6(2) . . ? 
Si4 N10 Y2 116.25(19) . . ? 
C101 N11 C82 118.0(4) . . ? 
C101 N11 Y3 114.4(3) . . ? 
C82 N11 Y3 123.5(3) . . ? 
C106 N12 C92 119.3(4) . . ? 
C106 N12 Y3 113.4(3) . . ? 
C92 N12 Y3 125.8(3) . . ? 
C105 N13 C102 105.4(4) . . ? 
C105 N13 Y3 138.4(4) . . ? 
C102 N13 Y3 115.9(3) . . ? 
C110 N14 C107 104.7(4) . . ? 
C110 N14 Y3 141.3(4) . . ? 
C107 N14 Y3 112.2(3) . . ? 
Si5 N15 Si6 124.3(2) . . ? 
Si5 N15 Y3 117.8(2) . . ? 
Si6 N15 Y3 117.8(2) . . ? 
C37 O1 C40 108.7(4) . . ? 
C37 O1 Y1 128.1(3) . . ? 
C40 O1 Y1 122.5(3) . . ? 
C77 O2 C80 107.4(3) . . ? 
C77 O2 Y2 126.8(3) . . ? 
C80 O2 Y2 125.2(3) . . ? 
C117 O3 C120 104.4(3) . . ? 
C117 O3 Y3 128.1(3) . . ? 
C120 O3 Y3 126.8(3) . . ? 
C2 C1 C6 120.0(5) . . ? 
C2 C1 C11 122.4(5) . . ? 
C6 C1 C11 117.5(5) . . ? 
C1 C2 C3 119.7(5) . . ? 
C1 C2 N1 121.1(5) . . ? 
C3 C2 N1 119.2(5) . . ? 
C4 C3 C2 121.2(5) . . ? 
C4 C3 H3 119.4 . . ? 
C2 C3 H3 119.4 . . ? 
C3 C4 C5 121.1(5) . . ? 
C3 C4 H4 119.4 . . ? 
C5 C4 H4 119.4 . . ? 
C10 C5 C4 121.9(5) . . ? 
C10 C5 C6 120.2(5) . . ? 
C4 C5 C6 117.8(5) . . ? 
C7 C6 C1 122.7(5) . . ? 
C7 C6 C5 117.3(5) . . ? 
C1 C6 C5 120.0(5) . . ? 
C8 C7 C6 122.6(5) . . ? 
C8 C7 H7 118.7 . . ? 
C6 C7 H7 118.7 . . ? 
C7 C8 C9 119.0(5) . . ? 
C7 C8 H8 120.5 . . ? 
C9 C8 H8 120.5 . . ? 
C10 C9 C8 120.7(5) . . ? 
C10 C9 H9 119.7 . . ? 
C8 C9 H9 119.7 . . ? 
C9 C10 C5 120.1(5) . . ? 
C9 C10 H10 119.9 . . ? 
C5 C10 H10 119.9 . . ? 
C12 C11 C16 118.7(5) . . ? 
C12 C11 C1 120.8(5) . . ? 
C16 C11 C1 120.2(5) . . ? 
C11 C12 N2 120.9(5) . . ? 
C11 C12 C13 119.6(5) . . ? 
N2 C12 C13 119.3(5) . . ? 
C14 C13 C12 121.4(5) . . ? 
C14 C13 H13 119.3 . . ? 
C12 C13 H13 119.3 . . ? 
C13 C14 C15 121.1(5) . . ? 
C13 C14 H14 119.4 . . ? 
C15 C14 H14 119.4 . . ? 
C20 C15 C14 122.7(6) . . ? 
C20 C15 C16 120.1(5) . . ? 
C14 C15 C16 117.2(5) . . ? 
C11 C16 C15 121.9(5) . . ? 
C11 C16 C17 121.0(5) . . ? 
C15 C16 C17 117.1(5) . . ? 
C18 C17 C16 121.9(5) . . ? 
C18 C17 H17 119.1 . . ? 
C16 C17 H17 119.1 . . ? 
C17 C18 C19 120.2(6) . . ? 
C17 C18 H18 119.9 . . ? 
C19 C18 H18 119.9 . . ? 
C20 C19 C18 119.9(6) . . ? 
C20 C19 H19 120.1 . . ? 
C18 C19 H19 120.1 . . ? 
C19 C20 C15 120.8(6) . . ? 
C19 C20 H20 119.6 . . ? 
C15 C20 H20 119.6 . . ? 
N1 C21 C22 121.2(5) . . ? 
N1 C21 H21 119.4 . . ? 
C22 C21 H21 119.4 . . ? 
N3 C22 C23 110.4(4) . . ? 
N3 C22 C21 119.0(4) . . ? 
C23 C22 C21 130.6(5) . . ? 
C24 C23 C22 106.2(5) . . ? 
C24 C23 H23 126.9 . . ? 
C22 C23 H23 126.9 . . ? 
C23 C24 C25 107.0(4) . . ? 
C23 C24 H24 126.5 . . ? 
C25 C24 H24 126.5 . . ? 
N3 C25 C24 111.5(4) . . ? 
N3 C25 H25 124.2 . . ? 
C24 C25 H25 124.2 . . ? 
N2 C26 C27 122.4(5) . . ? 
N2 C26 H26 118.8 . . ? 
C27 C26 H26 118.8 . . ? 
N4 C27 C26 119.0(5) . . ? 
N4 C27 C28 111.0(5) . . ? 
C26 C27 C28 130.0(5) . . ? 
C29 C28 C27 105.8(5) . . ? 
C29 C28 H28 127.1 . . ? 
C27 C28 H28 127.1 . . ? 
C28 C29 C30 106.7(5) . . ? 
C28 C29 H29 126.6 . . ? 
C30 C29 H29 126.6 . . ? 
N4 C30 C29 112.7(5) . . ? 
N4 C30 H30 123.6 . . ? 
C29 C30 H30 123.6 . . ? 
Si1 C31 H31A 109.5 . . ? 
Si1 C31 H31B 109.5 . . ? 
H31A C31 H31B 109.5 . . ? 
Si1 C31 H31C 109.5 . . ? 
H31A C31 H31C 109.5 . . ? 
H31B C31 H31C 109.5 . . ? 
Si1 C32 H32A 109.5 . . ? 
Si1 C32 H32B 109.5 . . ? 
H32A C32 H32B 109.5 . . ? 
Si1 C32 H32C 109.5 . . ? 
H32A C32 H32C 109.5 . . ? 
H32B C32 H32C 109.5 . . ? 
Si1 C33 H33A 109.5 . . ? 
Si1 C33 H33B 109.5 . . ? 
H33A C33 H33B 109.5 . . ? 
Si1 C33 H33C 109.5 . . ? 
H33A C33 H33C 109.5 . . ? 
H33B C33 H33C 109.5 . . ? 
Si2 C34 H34A 109.5 . . ? 
Si2 C34 H34B 109.5 . . ? 
H34A C34 H34B 109.5 . . ? 
Si2 C34 H34C 109.5 . . ? 
H34A C34 H34C 109.5 . . ? 
H34B C34 H34C 109.5 . . ? 
Si2 C35 H35A 109.5 . . ? 
Si2 C35 H35B 109.5 . . ? 
H35A C35 H35B 109.5 . . ? 
Si2 C35 H35C 109.5 . . ? 
H35A C35 H35C 109.5 . . ? 
H35B C35 H35C 109.5 . . ? 
Si2 C36 H36A 109.5 . . ? 
Si2 C36 H36B 109.5 . . ? 
H36A C36 H36B 109.5 . . ? 
Si2 C36 H36C 109.5 . . ? 
H36A C36 H36C 109.5 . . ? 
H36B C36 H36C 109.5 . . ? 
O1 C37 C38 106.1(4) . . ? 
O1 C37 H37A 110.5 . . ? 
C38 C37 H37A 110.5 . . ? 
O1 C37 H37B 110.5 . . ? 
C38 C37 H37B 110.5 . . ? 
H37A C37 H37B 108.7 . . ? 
C37 C38 C39 102.0(4) . . ? 
C37 C38 H38A 111.4 . . ? 
C39 C38 H38A 111.4 . . ? 
C37 C38 H38B 111.4 . . ? 
C39 C38 H38B 111.4 . . ? 
H38A C38 H38B 109.2 . . ? 
C40 C39 C38 105.1(5) . . ? 
C40 C39 H39A 110.7 . . ? 
C38 C39 H39A 110.7 . . ? 
C40 C39 H39B 110.7 . . ? 
C38 C39 H39B 110.7 . . ? 
H39A C39 H39B 108.8 . . ? 
C39 C40 O1 107.3(4) . . ? 
C39 C40 H40A 110.3 . . ? 
O1 C40 H40A 110.3 . . ? 
C39 C40 H40B 110.3 . . ? 
O1 C40 H40B 110.3 . . ? 
H40A C40 H40B 108.5 . . ? 
C42 C41 C46 118.1(5) . . ? 
C42 C41 C51 121.3(5) . . ? 
C46 C41 C51 120.4(5) . . ? 
C41 C42 C43 120.4(5) . . ? 
C41 C42 N6 119.6(5) . . ? 
C43 C42 N6 119.9(5) . . ? 
C44 C43 C42 121.1(5) . . ? 
C44 C43 H43 119.5 . . ? 
C42 C43 H43 119.5 . . ? 
C43 C44 C45 120.4(5) . . ? 
C43 C44 H44 119.8 . . ? 
C45 C44 H44 119.8 . . ? 
C46 C45 C44 118.4(5) . . ? 
C46 C45 C50 120.2(5) . . ? 
C44 C45 C50 121.4(5) . . ? 
C45 C46 C41 121.4(5) . . ? 
C45 C46 C47 117.4(5) . . ? 
C41 C46 C47 121.2(5) . . ? 
C48 C47 C46 120.7(5) . . ? 
C48 C47 H47 119.6 . . ? 
C46 C47 H47 119.6 . . ? 
C47 C48 C49 121.3(5) . . ? 
C47 C48 H48 119.4 . . ? 
C49 C48 H48 119.4 . . ? 
C50 C49 C48 119.7(5) . . ? 
C50 C49 H49 120.1 . . ? 
C48 C49 H49 120.1 . . ? 
C49 C50 C45 120.7(5) . . ? 
C49 C50 H50 119.7 . . ? 
C45 C50 H50 119.7 . . ? 
C52 C51 C56 121.1(5) . . ? 
C52 C51 C41 122.2(5) . . ? 
C56 C51 C41 116.5(4) . . ? 
C51 C52 N7 121.9(5) . . ? 
C51 C52 C53 119.0(5) . . ? 
N7 C52 C53 119.0(5) . . ? 
C54 C53 C52 121.6(5) . . ? 
C54 C53 H53 119.2 . . ? 
C52 C53 H53 119.2 . . ? 
C53 C54 C55 120.5(5) . . ? 
C53 C54 H54 119.7 . . ? 
C55 C54 H54 119.7 . . ? 
C60 C55 C54 122.3(5) . . ? 
C60 C55 C56 118.5(5) . . ? 
C54 C55 C56 119.1(5) . . ? 
C57 C56 C55 117.9(5) . . ? 
C57 C56 C51 123.4(5) . . ? 
C55 C56 C51 118.5(5) . . ? 
C58 C57 C56 121.4(5) . . ? 
C58 C57 H57 119.3 . . ? 
C56 C57 H57 119.3 . . ? 
C57 C58 C59 121.2(5) . . ? 
C57 C58 H58 119.4 . . ? 
C59 C58 H58 119.4 . . ? 
C60 C59 C58 119.1(5) . . ? 
C60 C59 H59 120.4 . . ? 
C58 C59 H59 120.4 . . ? 
C59 C60 C55 121.9(6) . . ? 
C59 C60 H60 119.0 . . ? 
C55 C60 H60 119.0 . . ? 
N6 C61 C62 122.5(5) . . ? 
N6 C61 H61 118.7 . . ? 
C62 C61 H61 118.7 . . ? 
N8 C62 C63 110.2(5) . . ? 
N8 C62 C61 118.5(5) . . ? 
C63 C62 C61 131.3(5) . . ? 
C62 C63 C64 107.3(5) . . ? 
C62 C63 H63 126.4 . . ? 
C64 C63 H63 126.4 . . ? 
C65 C64 C63 105.1(5) . . ? 
C65 C64 H64 127.5 . . ? 
C63 C64 H64 127.5 . . ? 
N8 C65 C64 112.4(5) . . ? 
N8 C65 H65 123.8 . . ? 
C64 C65 H65 123.8 . . ? 
N7 C66 C67 120.6(5) . . ? 
N7 C66 H66 119.7 . . ? 
C67 C66 H66 119.7 . . ? 
N9 C67 C66 119.3(5) . . ? 
N9 C67 C68 109.3(5) . . ? 
C66 C67 C68 131.4(5) . . ? 
C69 C68 C67 107.3(5) . . ? 
C69 C68 H68 126.4 . . ? 
C67 C68 H68 126.4 . . ? 
C68 C69 C70 105.3(5) . . ? 
C68 C69 H69 127.3 . . ? 
C70 C69 H69 127.3 . . ? 
N9 C70 C69 112.3(5) . . ? 
N9 C70 H70 123.9 . . ? 
C69 C70 H70 123.9 . . ? 
Si3 C71 H71A 109.5 . . ? 
Si3 C71 H71B 109.5 . . ? 
H71A C71 H71B 109.5 . . ? 
Si3 C71 H71C 109.5 . . ? 
H71A C71 H71C 109.5 . . ? 
H71B C71 H71C 109.5 . . ? 
Si3 C72 H72A 109.5 . . ? 
Si3 C72 H72B 109.5 . . ? 
H72A C72 H72B 109.5 . . ? 
Si3 C72 H72C 109.5 . . ? 
H72A C72 H72C 109.5 . . ? 
H72B C72 H72C 109.5 . . ? 
Si3 C73 H73A 109.5 . . ? 
Si3 C73 H73B 109.5 . . ? 
H73A C73 H73B 109.5 . . ? 
Si3 C73 H73C 109.5 . . ? 
H73A C73 H73C 109.5 . . ? 
H73B C73 H73C 109.5 . . ? 
Si4 C74 H74A 109.5 . . ? 
Si4 C74 H74B 109.5 . . ? 
H74A C74 H74B 109.5 . . ? 
Si4 C74 H74C 109.5 . . ? 
H74A C74 H74C 109.5 . . ? 
H74B C74 H74C 109.5 . . ? 
Si4 C75 H75A 109.5 . . ? 
Si4 C75 H75B 109.5 . . ? 
H75A C75 H75B 109.5 . . ? 
Si4 C75 H75C 109.5 . . ? 
H75A C75 H75C 109.5 . . ? 
H75B C75 H75C 109.5 . . ? 
Si4 C76 H76A 109.5 . . ? 
Si4 C76 H76B 109.5 . . ? 
H76A C76 H76B 109.5 . . ? 
Si4 C76 H76C 109.5 . . ? 
H76A C76 H76C 109.5 . . ? 
H76B C76 H76C 109.5 . . ? 
O2 C77 C78 106.7(4) . . ? 
O2 C77 H77A 110.4 . . ? 
C78 C77 H77A 110.4 . . ? 
O2 C77 H77B 110.4 . . ? 
C78 C77 H77B 110.4 . . ? 
H77A C77 H77B 108.6 . . ? 
C77 C78 C79 103.4(4) . . ? 
C77 C78 H78A 111.1 . . ? 
C79 C78 H78A 111.1 . . ? 
C77 C78 H78B 111.1 . . ? 
C79 C78 H78B 111.1 . . ? 
H78A C78 H78B 109.1 . . ? 
C80 C79 C78 103.8(5) . . ? 
C80 C79 H79A 111.0 . . ? 
C78 C79 H79A 111.0 . . ? 
C80 C79 H79B 111.0 . . ? 
C78 C79 H79B 111.0 . . ? 
H79A C79 H79B 109.0 . . ? 
C79 C80 O2 108.1(4) . . ? 
C79 C80 H80A 110.1 . . ? 
O2 C80 H80A 110.1 . . ? 
C79 C80 H80B 110.1 . . ? 
O2 C80 H80B 110.1 . . ? 
H80A C80 H80B 108.4 . . ? 
C82 C81 C86 119.5(5) . . ? 
C82 C81 C91 123.5(5) . . ? 
C86 C81 C91 116.9(4) . . ? 
C81 C82 C83 119.9(5) . . ? 
C81 C82 N11 120.7(5) . . ? 
C83 C82 N11 119.4(4) . . ? 
C84 C83 C82 121.9(5) . . ? 
C84 C83 H83 119.1 . . ? 
C82 C83 H83 119.1 . . ? 
C83 C84 C85 120.1(5) . . ? 
C83 C84 H84 119.9 . . ? 
C85 C84 H84 119.9 . . ? 
C86 C85 C90 118.4(5) . . ? 
C86 C85 C84 118.6(5) . . ? 
C90 C85 C84 123.0(5) . . ? 
C87 C86 C85 118.5(5) . . ? 
C87 C86 C81 121.8(5) . . ? 
C85 C86 C81 119.6(4) . . ? 
C88 C87 C86 121.3(5) . . ? 
C88 C87 H87 119.4 . . ? 
C86 C87 H87 119.4 . . ? 
C87 C88 C89 120.3(5) . . ? 
C87 C88 H88 119.8 . . ? 
C89 C88 H88 119.8 . . ? 
C90 C89 C88 120.3(5) . . ? 
C90 C89 H89 119.9 . . ? 
C88 C89 H89 119.9 . . ? 
C89 C90 C85 121.1(5) . . ? 
C89 C90 H90 119.4 . . ? 
C85 C90 H90 119.4 . . ? 
C92 C91 C96 117.6(5) . . ? 
C92 C91 C81 122.6(5) . . ? 
C96 C91 C81 119.7(5) . . ? 
C91 C92 C93 122.9(5) . . ? 
C91 C92 N12 118.7(5) . . ? 
C93 C92 N12 118.3(5) . . ? 
C94 C93 C92 118.5(5) . . ? 
C94 C93 H93 120.7 . . ? 
C92 C93 H93 120.7 . . ? 
C93 C94 C95 121.9(5) . . ? 
C93 C94 H94 119.1 . . ? 
C95 C94 H94 119.1 . . ? 
C94 C95 C100 122.8(6) . . ? 
C94 C95 C96 118.0(5) . . ? 
C100 C95 C96 119.3(5) . . ? 
C97 C96 C95 118.3(5) . . ? 
C97 C96 C91 120.8(5) . . ? 
C95 C96 C91 120.9(5) . . ? 
C98 C97 C96 120.2(5) . . ? 
C98 C97 H97 119.9 . . ? 
C96 C97 H97 119.9 . . ? 
C97 C98 C99 120.9(5) . . ? 
C97 C98 H98 119.5 . . ? 
C99 C98 H98 119.5 . . ? 
C100 C99 C98 120.1(6) . . ? 
C100 C99 H99 120.0 . . ? 
C98 C99 H99 120.0 . . ? 
C99 C100 C95 121.2(6) . . ? 
C99 C100 H100 119.4 . . ? 
C95 C100 H100 119.4 . . ? 
N11 C101 C102 120.6(5) . . ? 
N11 C101 H101 119.7 . . ? 
C102 C101 H101 119.7 . . ? 
N13 C102 C101 119.2(5) . . ? 
N13 C102 C103 109.0(5) . . ? 
C101 C102 C103 131.8(5) . . ? 
C104 C103 C102 108.0(5) . . ? 
C104 C103 H103 126.0 . . ? 
C102 C103 H103 126.0 . . ? 
C103 C104 C105 104.8(5) . . ? 
C103 C104 H104 127.6 . . ? 
C105 C104 H104 127.6 . . ? 
N13 C105 C104 112.8(5) . . ? 
N13 C105 H105 123.6 . . ? 
C104 C105 H105 123.6 . . ? 
N12 C106 C107 121.0(5) . . ? 
N12 C106 H106 119.5 . . ? 
C107 C106 H106 119.5 . . ? 
C108 C107 N14 110.3(5) . . ? 
C108 C107 C106 130.2(5) . . ? 
N14 C107 C106 119.4(5) . . ? 
C109 C108 C107 106.9(5) . . ? 
C109 C108 H108 126.6 . . ? 
C107 C108 H108 126.6 . . ? 
C108 C109 C110 106.3(5) . . ? 
C108 C109 H109 126.9 . . ? 
C110 C109 H109 126.9 . . ? 
N14 C110 C109 111.8(5) . . ? 
N14 C110 H110 124.1 . . ? 
C109 C110 H110 124.1 . . ? 
Si5 C111 H11A 109.5 . . ? 
Si5 C111 H11B 109.5 . . ? 
H11A C111 H11B 109.5 . . ? 
Si5 C111 H11C 109.5 . . ? 
H11A C111 H11C 109.5 . . ? 
H11B C111 H11C 109.5 . . ? 
Si5 C112 H11D 109.5 . . ? 
Si5 C112 H11E 109.5 . . ? 
H11D C112 H11E 109.5 . . ? 
Si5 C112 H11F 109.5 . . ? 
H11D C112 H11F 109.5 . . ? 
H11E C112 H11F 109.5 . . ? 
Si5 C113 H11G 109.5 . . ? 
Si5 C113 H11H 109.5 . . ? 
H11G C113 H11H 109.5 . . ? 
Si5 C113 H11I 109.5 . . ? 
H11G C113 H11I 109.5 . . ? 
H11H C113 H11I 109.5 . . ? 
Si6 C114 H11J 109.5 . . ? 
Si6 C114 H11K 109.5 . . ? 
H11J C114 H11K 109.5 . . ? 
Si6 C114 H11L 109.5 . . ? 
H11J C114 H11L 109.5 . . ? 
H11K C114 H11L 109.5 . . ? 
Si6 C115 H11M 109.5 . . ? 
Si6 C115 H11N 109.5 . . ? 
H11M C115 H11N 109.5 . . ? 
Si6 C115 H11O 109.5 . . ? 
H11M C115 H11O 109.5 . . ? 
H11N C115 H11O 109.5 . . ? 
Si6 C116 H11P 109.5 . . ? 
Si6 C116 H11Q 109.5 . . ? 
H11P C116 H11Q 109.5 . . ? 
Si6 C116 H11R 109.5 . . ? 
H11P C116 H11R 109.5 . . ? 
H11Q C116 H11R 109.5 . . ? 
O3 C117 C118 105.6(4) . . ? 
O3 C117 H11S 110.6 . . ? 
C118 C117 H11S 110.6 . . ? 
O3 C117 H11T 110.6 . . ? 
C118 C117 H11T 110.6 . . ? 
H11S C117 H11T 108.7 . . ? 
C117 C118 C119 104.1(4) . . ? 
C117 C118 H11U 110.9 . . ? 
C119 C118 H11U 110.9 . . ? 
C117 C118 H11V 110.9 . . ? 
C119 C118 H11V 110.9 . . ? 
H11U C118 H11V 109.0 . . ? 
C120 C119 C118 105.6(4) . . ? 
C120 C119 H11W 110.6 . . ? 
C118 C119 H11W 110.6 . . ? 
C120 C119 H11$ 110.6 . . ? 
C118 C119 H11$ 110.6 . . ? 
H11W C119 H11$ 108.8 . . ? 
O3 C120 C119 104.4(3) . . ? 
O3 C120 H12A 110.9 . . ? 
C119 C120 H12A 110.9 . . ? 
O3 C120 H12B 110.9 . . ? 
C119 C120 H12B 110.9 . . ? 
H12A C120 H12B 108.9 . . ? 
C122 C121 H12C 109.5 . . ? 
C122 C121 H12D 109.5 . . ? 
H12C C121 H12D 109.5 . . ? 
C122 C121 H12E 109.5 . . ? 
H12C C121 H12E 109.5 . . ? 
H12D C121 H12E 109.5 . . ? 
C127 C122 C123 117.9(6) . . ? 
C127 C122 C121 121.4(6) . . ? 
C123 C122 C121 120.6(6) . . ? 
C124 C123 C122 122.7(6) . . ? 
C124 C123 H123 118.7 . . ? 
C122 C123 H123 118.7 . . ? 
C123 C124 C125 119.2(6) . . ? 
C123 C124 H124 120.4 . . ? 
C125 C124 H124 120.4 . . ? 
C124 C125 C126 119.7(6) . . ? 
C124 C125 H125 120.1 . . ? 
C126 C125 H125 120.1 . . ? 
C127 C126 C125 118.8(6) . . ? 
C127 C126 H126 120.6 . . ? 
C125 C126 H126 120.6 . . ? 
C122 C127 C126 121.6(6) . . ? 
C122 C127 H127 119.2 . . ? 
C126 C127 H127 119.2 . . ? 
C129 C128 H12F 109.5 . . ? 
C129 C128 H12G 109.5 . . ? 
H12F C128 H12G 109.5 . . ? 
C129 C128 H12H 109.5 . . ? 
H12F C128 H12H 109.5 . . ? 
H12G C128 H12H 109.5 . . ? 
C134 C129 C130 119.2(5) . . ? 
C134 C129 C128 120.5(5) . . ? 
C130 C129 C128 120.2(6) . . ? 
C129 C130 C131 120.0(5) . . ? 
C129 C130 H130 120.0 . . ? 
C131 C130 H130 120.0 . . ? 
C132 C131 C130 120.5(5) . . ? 
C132 C131 H131 119.7 . . ? 
C130 C131 H131 119.7 . . ? 
C131 C132 C133 119.4(5) . . ? 
C131 C132 H132 120.3 . . ? 
C133 C132 H132 120.3 . . ? 
C134 C133 C132 120.6(6) . . ? 
C134 C133 H133 119.7 . . ? 
C132 C133 H133 119.7 . . ? 
C133 C134 C129 120.2(6) . . ? 
C133 C134 H134 119.9 . . ? 
C129 C134 H134 119.9 . . ? 
C136 C135 H13A 109.5 . . ? 
C136 C135 H13B 109.5 . . ? 
H13A C135 H13B 109.5 . . ? 
C136 C135 H13C 109.5 . . ? 
H13A C135 H13C 109.5 . . ? 
H13B C135 H13C 109.5 . . ? 
C137 C136 C141 120.0 . . ? 
C137 C136 C135 118.0(8) . . ? 
C141 C136 C135 122.0(8) . . ? 
C138 C137 C136 120.0 . . ? 
C138 C137 H13D 120.0 . . ? 
C136 C137 H13D 120.0 . . ? 
C139 C138 C137 120.0 . . ? 
C139 C138 H13E 120.0 . . ? 
C137 C138 H13E 120.0 . . ? 
C138 C139 C140 120.0 . . ? 
C138 C139 H13F 120.0 . . ? 
C140 C139 H13F 120.0 . . ? 
C141 C140 C139 120.0 . . ? 
C141 C140 H14A 120.0 . . ? 
C139 C140 H14A 120.0 . . ? 
C140 C141 C136 120.0 . . ? 
C140 C141 H14B 120.0 . . ? 
C136 C141 H14B 120.0 . . ? 
C143 C142 H14C 109.5 . . ? 
C143 C142 H14D 109.5 . . ? 
H14C C142 H14D 109.5 . . ? 
C143 C142 H14E 109.5 . . ? 
H14C C142 H14E 109.5 . . ? 
H14D C142 H14E 109.5 . . ? 
C144 C143 C148 120.0 . . ? 
C144 C143 C142 119.5(10) . . ? 
C148 C143 C142 120.4(10) . . ? 
C143 C144 C145 120.0 . . ? 
C143 C144 H14F 120.0 . . ? 
C145 C144 H14F 120.0 . . ? 
C146 C145 C144 120.0 . . ? 
C146 C145 H14G 120.0 . . ? 
C144 C145 H14G 120.0 . . ? 
C147 C146 C145 120.0 . . ? 
C147 C146 H14H 120.0 . . ? 
C145 C146 H14H 120.0 . . ? 
C146 C147 C148 120.0 . . ? 
C146 C147 H14I 120.0 . . ? 
C148 C147 H14I 120.0 . . ? 
C147 C148 C143 120.0 . . ? 
C147 C148 H14J 120.0 . . ? 
C143 C148 H14J 120.0 . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
N5 Y1 N1 C21 63.3(4) . . . . ? 
O1 Y1 N1 C21 -79.4(3) . . . . ? 
N3 Y1 N1 C21 2.8(3) . . . . ? 
N4 Y1 N1 C21 -151.5(3) . . . . ? 
N2 Y1 N1 C21 154.2(3) . . . . ? 
N5 Y1 N1 C2 -133.1(4) . . . . ? 
O1 Y1 N1 C2 84.1(4) . . . . ? 
N3 Y1 N1 C2 166.3(4) . . . . ? 
N4 Y1 N1 C2 12.0(4) . . . . ? 
N2 Y1 N1 C2 -42.3(4) . . . . ? 
N5 Y1 N2 C26 -77.1(3) . . . . ? 
O1 Y1 N2 C26 76.9(4) . . . . ? 
N3 Y1 N2 C26 -169.1(3) . . . . ? 
N4 Y1 N2 C26 15.2(3) . . . . ? 
N1 Y1 N2 C26 150.1(3) . . . . ? 
N5 Y1 N2 C12 84.1(4) . . . . ? 
O1 Y1 N2 C12 -121.9(4) . . . . ? 
N3 Y1 N2 C12 -7.9(5) . . . . ? 
N4 Y1 N2 C12 176.4(4) . . . . ? 
N1 Y1 N2 C12 -48.7(4) . . . . ? 
N5 Y1 N3 C25 29.5(5) . . . . ? 
O1 Y1 N3 C25 -103.5(5) . . . . ? 
N4 Y1 N3 C25 -61.9(6) . . . . ? 
N2 Y1 N3 C25 127.1(4) . . . . ? 
N1 Y1 N3 C25 170.2(5) . . . . ? 
N5 Y1 N3 C22 -139.6(3) . . . . ? 
O1 Y1 N3 C22 87.4(3) . . . . ? 
N4 Y1 N3 C22 129.0(4) . . . . ? 
N2 Y1 N3 C22 -41.9(4) . . . . ? 
N1 Y1 N3 C22 1.1(3) . . . . ? 
N5 Y1 N4 C30 -80.9(6) . . . . ? 
O1 Y1 N4 C30 49.7(6) . . . . ? 
N3 Y1 N4 C30 8.0(8) . . . . ? 
N2 Y1 N4 C30 -178.6(7) . . . . ? 
N1 Y1 N4 C30 123.6(6) . . . . ? 
N5 Y1 N4 C27 83.6(4) . . . . ? 
O1 Y1 N4 C27 -145.8(4) . . . . ? 
N3 Y1 N4 C27 172.6(3) . . . . ? 
N2 Y1 N4 C27 -14.0(3) . . . . ? 
N1 Y1 N4 C27 -71.8(4) . . . . ? 
C35 Si2 N5 Si1 96.2(3) . . . . ? 
C36 Si2 N5 Si1 -25.0(3) . . . . ? 
C34 Si2 N5 Si1 -142.7(3) . . . . ? 
C35 Si2 N5 Y1 -90.1(2) . . . . ? 
C36 Si2 N5 Y1 148.8(2) . . . . ? 
C34 Si2 N5 Y1 31.1(3) . . . . ? 
C33 Si1 N5 Si2 -68.0(3) . . . . ? 
C31 Si1 N5 Si2 53.0(3) . . . . ? 
C32 Si1 N5 Si2 171.2(2) . . . . ? 
C33 Si1 N5 Y1 118.5(2) . . . . ? 
C31 Si1 N5 Y1 -120.5(2) . . . . ? 
C32 Si1 N5 Y1 -2.3(3) . . . . ? 
O1 Y1 N5 Si2 -36.0(3) . . . . ? 
N3 Y1 N5 Si2 -108.5(2) . . . . ? 
N4 Y1 N5 Si2 44.8(2) . . . . ? 
N2 Y1 N5 Si2 115.1(2) . . . . ? 
N1 Y1 N5 Si2 -163.29(16) . . . . ? 
O1 Y1 N5 Si1 138.16(17) . . . . ? 
N3 Y1 N5 Si1 65.7(2) . . . . ? 
N4 Y1 N5 Si1 -141.1(2) . . . . ? 
N2 Y1 N5 Si1 -70.8(2) . . . . ? 
N1 Y1 N5 Si1 10.8(3) . . . . ? 
N10 Y2 N6 C61 -72.6(3) . . . . ? 
O2 Y2 N6 C61 80.4(3) . . . . ? 
N9 Y2 N6 C61 -166.3(3) . . . . ? 
N8 Y2 N6 C61 16.6(3) . . . . ? 
N7 Y2 N6 C61 152.0(3) . . . . ? 
N10 Y2 N6 C42 89.2(4) . . . . ? 
O2 Y2 N6 C42 -117.8(4) . . . . ? 
N9 Y2 N6 C42 -4.4(4) . . . . ? 
N8 Y2 N6 C42 178.5(4) . . . . ? 
N7 Y2 N6 C42 -46.1(4) . . . . ? 
N10 Y2 N7 C66 60.5(4) . . . . ? 
O2 Y2 N7 C66 -80.5(3) . . . . ? 
N9 Y2 N7 C66 5.0(3) . . . . ? 
N8 Y2 N7 C66 -151.6(3) . . . . ? 
N6 Y2 N7 C66 154.5(4) . . . . ? 
N10 Y2 N7 C52 -139.0(3) . . . . ? 
O2 Y2 N7 C52 80.0(4) . . . . ? 
N9 Y2 N7 C52 165.5(4) . . . . ? 
N8 Y2 N7 C52 8.9(4) . . . . ? 
N6 Y2 N7 C52 -45.0(4) . . . . ? 
N10 Y2 N8 C65 -76.4(5) . . . . ? 
O2 Y2 N8 C65 53.6(5) . . . . ? 
N9 Y2 N8 C65 7.6(7) . . . . ? 
N6 Y2 N8 C65 -177.3(5) . . . . ? 
N7 Y2 N8 C65 125.2(5) . . . . ? 
N10 Y2 N8 C62 84.6(3) . . . . ? 
O2 Y2 N8 C62 -145.4(3) . . . . ? 
N9 Y2 N8 C62 168.6(3) . . . . ? 
N6 Y2 N8 C62 -16.3(3) . . . . ? 
N7 Y2 N8 C62 -73.8(3) . . . . ? 
N10 Y2 N9 C70 28.3(5) . . . . ? 
O2 Y2 N9 C70 -103.3(5) . . . . ? 
N8 Y2 N9 C70 -57.7(6) . . . . ? 
N6 Y2 N9 C70 128.8(4) . . . . ? 
N7 Y2 N9 C70 173.4(5) . . . . ? 
N10 Y2 N9 C67 -146.6(3) . . . . ? 
O2 Y2 N9 C67 81.9(3) . . . . ? 
N8 Y2 N9 C67 127.5(4) . . . . ? 
N6 Y2 N9 C67 -46.0(4) . . . . ? 
N7 Y2 N9 C67 -1.5(3) . . . . ? 
C73 Si3 N10 Si4 -72.2(3) . . . . ? 
C72 Si3 N10 Si4 50.5(4) . . . . ? 
C71 Si3 N10 Si4 168.5(2) . . . . ? 
C73 Si3 N10 Y2 110.3(3) . . . . ? 
C72 Si3 N10 Y2 -127.0(3) . . . . ? 
C71 Si3 N10 Y2 -9.0(3) . . . . ? 
C76 Si4 N10 Si3 89.0(3) . . . . ? 
C74 Si4 N10 Si3 -148.5(3) . . . . ? 
C75 Si4 N10 Si3 -30.8(4) . . . . ? 
C76 Si4 N10 Y2 -93.4(2) . . . . ? 
C74 Si4 N10 Y2 29.1(3) . . . . ? 
C75 Si4 N10 Y2 146.8(2) . . . . ? 
O2 Y2 N10 Si3 147.45(17) . . . . ? 
N9 Y2 N10 Si3 71.9(2) . . . . ? 
N8 Y2 N10 Si3 -132.6(2) . . . . ? 
N6 Y2 N10 Si3 -62.9(2) . . . . ? 
N7 Y2 N10 Si3 21.7(3) . . . . ? 
O2 Y2 N10 Si4 -30.3(3) . . . . ? 
N9 Y2 N10 Si4 -105.8(2) . . . . ? 
N8 Y2 N10 Si4 49.6(2) . . . . ? 
N6 Y2 N10 Si4 119.4(2) . . . . ? 
N7 Y2 N10 Si4 -156.08(17) . . . . ? 
N15 Y3 N11 C101 64.5(4) . . . . ? 
O3 Y3 N11 C101 -72.0(3) . . . . ? 
N13 Y3 N11 C101 9.4(3) . . . . ? 
N14 Y3 N11 C101 -144.2(3) . . . . ? 
N12 Y3 N11 C101 158.7(4) . . . . ? 
N15 Y3 N11 C82 -138.8(3) . . . . ? 
O3 Y3 N11 C82 84.7(4) . . . . ? 
N13 Y3 N11 C82 166.1(4) . . . . ? 
N14 Y3 N11 C82 12.5(4) . . . . ? 
N12 Y3 N11 C82 -44.6(4) . . . . ? 
N15 Y3 N12 C106 -75.7(3) . . . . ? 
O3 Y3 N12 C106 74.5(4) . . . . ? 
N13 Y3 N12 C106 -170.4(3) . . . . ? 
N14 Y3 N12 C106 16.6(3) . . . . ? 
N11 Y3 N12 C106 147.2(3) . . . . ? 
N15 Y3 N12 C92 90.1(4) . . . . ? 
O3 Y3 N12 C92 -119.7(4) . . . . ? 
N13 Y3 N12 C92 -4.5(5) . . . . ? 
N14 Y3 N12 C92 -177.6(4) . . . . ? 
N11 Y3 N12 C92 -47.0(4) . . . . ? 
N15 Y3 N13 C105 32.9(5) . . . . ? 
O3 Y3 N13 C105 -93.6(5) . . . . ? 
N14 Y3 N13 C105 -60.9(6) . . . . ? 
N12 Y3 N13 C105 134.2(4) . . . . ? 
N11 Y3 N13 C105 179.5(5) . . . . ? 
N15 Y3 N13 C102 -154.7(4) . . . . ? 
O3 Y3 N13 C102 78.9(3) . . . . ? 
N14 Y3 N13 C102 111.5(4) . . . . ? 
N12 Y3 N13 C102 -53.3(4) . . . . ? 
N11 Y3 N13 C102 -8.1(3) . . . . ? 
N15 Y3 N14 C110 -78.2(6) . . . . ? 
O3 Y3 N14 C110 45.9(5) . . . . ? 
N13 Y3 N14 C110 13.1(7) . . . . ? 
N12 Y3 N14 C110 -178.2(6) . . . . ? 
N11 Y3 N14 C110 120.7(5) . . . . ? 
N15 Y3 N14 C107 83.7(3) . . . . ? 
O3 Y3 N14 C107 -152.2(3) . . . . ? 
N13 Y3 N14 C107 175.0(3) . . . . ? 
N12 Y3 N14 C107 -16.3(3) . . . . ? 
N11 Y3 N14 C107 -77.4(4) . . . . ? 
C111 Si5 N15 Si6 -61.8(3) . . . . ? 
C113 Si5 N15 Si6 61.2(4) . . . . ? 
C112 Si5 N15 Si6 178.6(2) . . . . ? 
C111 Si5 N15 Y3 113.6(3) . . . . ? 
C113 Si5 N15 Y3 -123.3(3) . . . . ? 
C112 Si5 N15 Y3 -6.0(3) . . . . ? 
C115 Si6 N15 Si5 -147.8(3) . . . . ? 
C114 Si6 N15 Si5 89.7(3) . . . . ? 
C116 Si6 N15 Si5 -32.1(4) . . . . ? 
C115 Si6 N15 Y3 36.7(3) . . . . ? 
C114 Si6 N15 Y3 -85.8(3) . . . . ? 
C116 Si6 N15 Y3 152.4(2) . . . . ? 
O3 Y3 N15 Si5 144.06(17) . . . . ? 
N13 Y3 N15 Si5 70.2(2) . . . . ? 
N14 Y3 N15 Si5 -135.5(2) . . . . ? 
N12 Y3 N15 Si5 -65.0(2) . . . . ? 
N11 Y3 N15 Si5 20.2(3) . . . . ? 
O3 Y3 N15 Si6 -40.2(3) . . . . ? 
N13 Y3 N15 Si6 -114.0(2) . . . . ? 
N14 Y3 N15 Si6 40.2(2) . . . . ? 
N12 Y3 N15 Si6 110.7(2) . . . . ? 
N11 Y3 N15 Si6 -164.05(16) . . . . ? 
N5 Y1 O1 C37 -56.4(4) . . . . ? 
N3 Y1 O1 C37 18.1(4) . . . . ? 
N4 Y1 O1 C37 -144.3(4) . . . . ? 
N2 Y1 O1 C37 158.6(4) . . . . ? 
N1 Y1 O1 C37 88.2(4) . . . . ? 
N5 Y1 O1 C40 134.6(3) . . . . ? 
N3 Y1 O1 C40 -151.0(4) . . . . ? 
N4 Y1 O1 C40 46.7(3) . . . . ? 
N2 Y1 O1 C40 -10.5(4) . . . . ? 
N1 Y1 O1 C40 -80.9(3) . . . . ? 
N10 Y2 O2 C77 -63.9(4) . . . . ? 
N9 Y2 O2 C77 12.6(4) . . . . ? 
N8 Y2 O2 C77 -149.9(4) . . . . ? 
N6 Y2 O2 C77 151.6(4) . . . . ? 
N7 Y2 O2 C77 81.6(4) . . . . ? 
N10 Y2 O2 C80 126.1(3) . . . . ? 
N9 Y2 O2 C80 -157.4(4) . . . . ? 
N8 Y2 O2 C80 40.1(3) . . . . ? 
N6 Y2 O2 C80 -18.4(4) . . . . ? 
N7 Y2 O2 C80 -88.4(3) . . . . ? 
N15 Y3 O3 C117 140.7(3) . . . . ? 
N13 Y3 O3 C117 -142.6(4) . . . . ? 
N14 Y3 O3 C117 51.2(3) . . . . ? 
N12 Y3 O3 C117 -3.0(4) . . . . ? 
N11 Y3 O3 C117 -73.3(3) . . . . ? 
N15 Y3 O3 C120 -50.5(4) . . . . ? 
N13 Y3 O3 C120 26.1(3) . . . . ? 
N14 Y3 O3 C120 -140.1(4) . . . . ? 
N12 Y3 O3 C120 165.7(3) . . . . ? 
N11 Y3 O3 C120 95.5(3) . . . . ? 
C6 C1 C2 C3 3.7(7) . . . . ? 
C11 C1 C2 C3 -172.6(5) . . . . ? 
C6 C1 C2 N1 -172.9(4) . . . . ? 
C11 C1 C2 N1 10.8(7) . . . . ? 
C21 N1 C2 C1 -127.2(5) . . . . ? 
Y1 N1 C2 C1 69.8(6) . . . . ? 
C21 N1 C2 C3 56.1(6) . . . . ? 
Y1 N1 C2 C3 -106.8(5) . . . . ? 
C1 C2 C3 C4 -1.6(8) . . . . ? 
N1 C2 C3 C4 175.1(4) . . . . ? 
C2 C3 C4 C5 -0.8(8) . . . . ? 
C3 C4 C5 C10 -176.4(5) . . . . ? 
C3 C4 C5 C6 1.1(8) . . . . ? 
C2 C1 C6 C7 175.4(5) . . . . ? 
C11 C1 C6 C7 -8.1(7) . . . . ? 
C2 C1 C6 C5 -3.4(7) . . . . ? 
C11 C1 C6 C5 173.0(4) . . . . ? 
C10 C5 C6 C7 -0.4(7) . . . . ? 
C4 C5 C6 C7 -177.9(4) . . . . ? 
C10 C5 C6 C1 178.5(5) . . . . ? 
C4 C5 C6 C1 1.0(7) . . . . ? 
C1 C6 C7 C8 -175.8(5) . . . . ? 
C5 C6 C7 C8 3.1(7) . . . . ? 
C6 C7 C8 C9 -3.5(8) . . . . ? 
C7 C8 C9 C10 1.1(8) . . . . ? 
C8 C9 C10 C5 1.6(9) . . . . ? 
C4 C5 C10 C9 175.6(5) . . . . ? 
C6 C5 C10 C9 -1.9(8) . . . . ? 
C2 C1 C11 C12 -77.1(6) . . . . ? 
C6 C1 C11 C12 106.5(5) . . . . ? 
C2 C1 C11 C16 109.1(5) . . . . ? 
C6 C1 C11 C16 -67.3(6) . . . . ? 
C16 C11 C12 N2 -170.3(4) . . . . ? 
C1 C11 C12 N2 15.8(7) . . . . ? 
C16 C11 C12 C13 3.7(7) . . . . ? 
C1 C11 C12 C13 -170.2(4) . . . . ? 
C26 N2 C12 C11 -129.6(5) . . . . ? 
Y1 N2 C12 C11 70.5(5) . . . . ? 
C26 N2 C12 C13 56.5(6) . . . . ? 
Y1 N2 C12 C13 -103.5(4) . . . . ? 
C11 C12 C13 C14 -1.5(7) . . . . ? 
N2 C12 C13 C14 172.6(4) . . . . ? 
C12 C13 C14 C15 -1.2(7) . . . . ? 
C13 C14 C15 C20 -178.0(5) . . . . ? 
C13 C14 C15 C16 1.5(7) . . . . ? 
C12 C11 C16 C15 -3.4(7) . . . . ? 
C1 C11 C16 C15 170.5(4) . . . . ? 
C12 C11 C16 C17 174.3(4) . . . . ? 
C1 C11 C16 C17 -11.7(7) . . . . ? 
C20 C15 C16 C11 -179.6(4) . . . . ? 
C14 C15 C16 C11 0.8(7) . . . . ? 
C20 C15 C16 C17 2.5(7) . . . . ? 
C14 C15 C16 C17 -177.0(4) . . . . ? 
C11 C16 C17 C18 -179.5(4) . . . . ? 
C15 C16 C17 C18 -1.7(7) . . . . ? 
C16 C17 C18 C19 0.1(7) . . . . ? 
C17 C18 C19 C20 0.6(7) . . . . ? 
C18 C19 C20 C15 0.3(7) . . . . ? 
C14 C15 C20 C19 177.6(5) . . . . ? 
C16 C15 C20 C19 -1.9(7) . . . . ? 
C2 N1 C21 C22 -171.5(4) . . . . ? 
Y1 N1 C21 C22 -6.8(6) . . . . ? 
C25 N3 C22 C23 1.0(6) . . . . ? 
Y1 N3 C22 C23 173.6(3) . . . . ? 
C25 N3 C22 C21 -177.6(4) . . . . ? 
Y1 N3 C22 C21 -5.0(6) . . . . ? 
N1 C21 C22 N3 8.2(7) . . . . ? 
N1 C21 C22 C23 -170.1(5) . . . . ? 
N3 C22 C23 C24 -0.4(6) . . . . ? 
C21 C22 C23 C24 178.0(5) . . . . ? 
C22 C23 C24 C25 -0.3(6) . . . . ? 
C22 N3 C25 C24 -1.2(5) . . . . ? 
Y1 N3 C25 C24 -171.0(3) . . . . ? 
C23 C24 C25 N3 1.0(6) . . . . ? 
C12 N2 C26 C27 -177.7(4) . . . . ? 
Y1 N2 C26 C27 -15.4(6) . . . . ? 
C30 N4 C27 C26 -177.2(5) . . . . ? 
Y1 N4 C27 C26 12.6(6) . . . . ? 
C30 N4 C27 C28 0.4(6) . . . . ? 
Y1 N4 C27 C28 -169.9(4) . . . . ? 
N2 C26 C27 N4 2.3(8) . . . . ? 
N2 C26 C27 C28 -174.7(5) . . . . ? 
N4 C27 C28 C29 -0.8(7) . . . . ? 
C26 C27 C28 C29 176.4(6) . . . . ? 
C27 C28 C29 C30 0.8(7) . . . . ? 
C27 N4 C30 C29 0.2(7) . . . . ? 
Y1 N4 C30 C29 165.5(4) . . . . ? 
C28 C29 C30 N4 -0.6(8) . . . . ? 
C40 O1 C37 C38 -15.3(6) . . . . ? 
Y1 O1 C37 C38 174.4(3) . . . . ? 
O1 C37 C38 C39 28.9(6) . . . . ? 
C37 C38 C39 C40 -32.8(7) . . . . ? 
C38 C39 C40 O1 24.3(7) . . . . ? 
C37 O1 C40 C39 -6.1(6) . . . . ? 
Y1 O1 C40 C39 164.8(4) . . . . ? 
C46 C41 C42 C43 4.9(7) . . . . ? 
C51 C41 C42 C43 -169.7(4) . . . . ? 
C46 C41 C42 N6 -172.5(4) . . . . ? 
C51 C41 C42 N6 12.8(7) . . . . ? 
C61 N6 C42 C41 -128.0(5) . . . . ? 
Y2 N6 C42 C41 71.1(5) . . . . ? 
C61 N6 C42 C43 54.5(6) . . . . ? 
Y2 N6 C42 C43 -106.4(4) . . . . ? 
C41 C42 C43 C44 -2.4(7) . . . . ? 
N6 C42 C43 C44 175.0(4) . . . . ? 
C42 C43 C44 C45 -1.9(7) . . . . ? 
C43 C44 C45 C46 3.4(7) . . . . ? 
C43 C44 C45 C50 -178.3(4) . . . . ? 
C44 C45 C46 C41 -0.7(7) . . . . ? 
C50 C45 C46 C41 -179.1(4) . . . . ? 
C44 C45 C46 C47 -178.8(4) . . . . ? 
C50 C45 C46 C47 2.8(7) . . . . ? 
C42 C41 C46 C45 -3.4(6) . . . . ? 
C51 C41 C46 C45 171.3(4) . . . . ? 
C42 C41 C46 C47 174.6(4) . . . . ? 
C51 C41 C46 C47 -10.7(6) . . . . ? 
C45 C46 C47 C48 -1.1(6) . . . . ? 
C41 C46 C47 C48 -179.2(4) . . . . ? 
C46 C47 C48 C49 -0.9(7) . . . . ? 
C47 C48 C49 C50 1.2(7) . . . . ? 
C48 C49 C50 C45 0.5(7) . . . . ? 
C46 C45 C50 C49 -2.6(7) . . . . ? 
C44 C45 C50 C49 179.1(4) . . . . ? 
C42 C41 C51 C52 -77.2(6) . . . . ? 
C46 C41 C51 C52 108.3(5) . . . . ? 
C42 C41 C51 C56 108.1(5) . . . . ? 
C46 C41 C51 C56 -66.4(6) . . . . ? 
C56 C51 C52 N7 -173.0(4) . . . . ? 
C41 C51 C52 N7 12.5(8) . . . . ? 
C56 C51 C52 C53 3.7(7) . . . . ? 
C41 C51 C52 C53 -170.8(5) . . . . ? 
C66 N7 C52 C51 -129.6(5) . . . . ? 
Y2 N7 C52 C51 70.6(6) . . . . ? 
C66 N7 C52 C53 53.7(6) . . . . ? 
Y2 N7 C52 C53 -106.1(4) . . . . ? 
C51 C52 C53 C54 -2.2(8) . . . . ? 
N7 C52 C53 C54 174.6(5) . . . . ? 
C52 C53 C54 C55 -0.7(8) . . . . ? 
C53 C54 C55 C60 -175.3(5) . . . . ? 
C53 C54 C55 C56 2.1(8) . . . . ? 
C60 C55 C56 C57 1.1(7) . . . . ? 
C54 C55 C56 C57 -176.4(4) . . . . ? 
C60 C55 C56 C51 176.9(4) . . . . ? 
C54 C55 C56 C51 -0.6(7) . . . . ? 
C52 C51 C56 C57 173.3(5) . . . . ? 
C41 C51 C56 C57 -11.9(7) . . . . ? 
C52 C51 C56 C55 -2.3(7) . . . . ? 
C41 C51 C56 C55 172.5(4) . . . . ? 
C55 C56 C57 C58 0.9(7) . . . . ? 
C51 C56 C57 C58 -174.7(5) . . . . ? 
C56 C57 C58 C59 -1.7(8) . . . . ? 
C57 C58 C59 C60 0.4(8) . . . . ? 
C58 C59 C60 C55 1.7(9) . . . . ? 
C54 C55 C60 C59 175.0(5) . . . . ? 
C56 C55 C60 C59 -2.4(8) . . . . ? 
C42 N6 C61 C62 -179.0(4) . . . . ? 
Y2 N6 C61 C62 -15.7(6) . . . . ? 
C65 N8 C62 C63 1.0(6) . . . . ? 
Y2 N8 C62 C63 -166.7(3) . . . . ? 
C65 N8 C62 C61 -176.6(4) . . . . ? 
Y2 N8 C62 C61 15.7(5) . . . . ? 
N6 C61 C62 N8 0.0(7) . . . . ? 
N6 C61 C62 C63 -177.0(5) . . . . ? 
N8 C62 C63 C64 -1.3(6) . . . . ? 
C61 C62 C63 C64 175.9(5) . . . . ? 
C62 C63 C64 C65 1.1(6) . . . . ? 
C62 N8 C65 C64 -0.2(6) . . . . ? 
Y2 N8 C65 C64 161.6(4) . . . . ? 
C63 C64 C65 N8 -0.6(6) . . . . ? 
C52 N7 C66 C67 -169.5(4) . . . . ? 
Y2 N7 C66 C67 -8.2(6) . . . . ? 
C70 N9 C67 C66 -178.4(4) . . . . ? 
Y2 N9 C67 C66 -2.0(6) . . . . ? 
C70 N9 C67 C68 -0.1(6) . . . . ? 
Y2 N9 C67 C68 176.3(3) . . . . ? 
N7 C66 C67 N9 7.1(7) . . . . ? 
N7 C66 C67 C68 -170.7(5) . . . . ? 
N9 C67 C68 C69 0.6(6) . . . . ? 
C66 C67 C68 C69 178.6(5) . . . . ? 
C67 C68 C69 C70 -0.9(6) . . . . ? 
C67 N9 C70 C69 -0.5(6) . . . . ? 
Y2 N9 C70 C69 -175.6(3) . . . . ? 
C68 C69 C70 N9 0.9(6) . . . . ? 
C80 O2 C77 C78 -16.5(6) . . . . ? 
Y2 O2 C77 C78 172.0(3) . . . . ? 
O2 C77 C78 C79 29.9(6) . . . . ? 
C77 C78 C79 C80 -32.3(7) . . . . ? 
C78 C79 C80 O2 22.8(7) . . . . ? 
C77 O2 C80 C79 -4.7(6) . . . . ? 
Y2 O2 C80 C79 166.9(4) . . . . ? 
C86 C81 C82 C83 6.2(7) . . . . ? 
C91 C81 C82 C83 -169.5(5) . . . . ? 
C86 C81 C82 N11 -172.1(4) . . . . ? 
C91 C81 C82 N11 12.2(7) . . . . ? 
C101 N11 C82 C81 -134.1(5) . . . . ? 
Y3 N11 C82 C81 70.0(5) . . . . ? 
C101 N11 C82 C83 47.6(6) . . . . ? 
Y3 N11 C82 C83 -108.3(4) . . . . ? 
C81 C82 C83 C84 -1.5(8) . . . . ? 
N11 C82 C83 C84 176.8(4) . . . . ? 
C82 C83 C84 C85 -3.4(8) . . . . ? 
C83 C84 C85 C86 3.3(7) . . . . ? 
C83 C84 C85 C90 -174.9(5) . . . . ? 
C90 C85 C86 C87 1.9(7) . . . . ? 
C84 C85 C86 C87 -176.4(4) . . . . ? 
C90 C85 C86 C81 179.7(4) . . . . ? 
C84 C85 C86 C81 1.4(7) . . . . ? 
C82 C81 C86 C87 171.6(4) . . . . ? 
C91 C81 C86 C87 -12.4(7) . . . . ? 
C82 C81 C86 C85 -6.1(7) . . . . ? 
C91 C81 C86 C85 169.9(4) . . . . ? 
C85 C86 C87 C88 0.6(7) . . . . ? 
C81 C86 C87 C88 -177.1(4) . . . . ? 
C86 C87 C88 C89 -2.3(7) . . . . ? 
C87 C88 C89 C90 1.3(8) . . . . ? 
C88 C89 C90 C85 1.4(8) . . . . ? 
C86 C85 C90 C89 -2.9(8) . . . . ? 
C84 C85 C90 C89 175.3(5) . . . . ? 
C82 C81 C91 C92 -76.3(6) . . . . ? 
C86 C81 C91 C92 107.9(5) . . . . ? 
C82 C81 C91 C96 108.8(5) . . . . ? 
C86 C81 C91 C96 -67.0(6) . . . . ? 
C96 C91 C92 C93 6.3(7) . . . . ? 
C81 C91 C92 C93 -168.7(4) . . . . ? 
C96 C91 C92 N12 -172.9(4) . . . . ? 
C81 C91 C92 N12 12.0(7) . . . . ? 
C106 N12 C92 C91 -123.1(5) . . . . ? 
Y3 N12 C92 C91 71.9(5) . . . . ? 
C106 N12 C92 C93 57.7(6) . . . . ? 
Y3 N12 C92 C93 -107.4(4) . . . . ? 
C91 C92 C93 C94 -4.0(7) . . . . ? 
N12 C92 C93 C94 175.3(4) . . . . ? 
C92 C93 C94 C95 0.1(7) . . . . ? 
C93 C94 C95 C100 -179.7(4) . . . . ? 
C93 C94 C95 C96 1.1(7) . . . . ? 
C94 C95 C96 C97 -179.7(4) . . . . ? 
C100 C95 C96 C97 1.1(7) . . . . ? 
C94 C95 C96 C91 1.3(7) . . . . ? 
C100 C95 C96 C91 -177.9(4) . . . . ? 
C92 C91 C96 C97 176.2(4) . . . . ? 
C81 C91 C96 C97 -8.6(6) . . . . ? 
C92 C91 C96 C95 -4.9(6) . . . . ? 
C81 C91 C96 C95 170.3(4) . . . . ? 
C95 C96 C97 C98 1.0(7) . . . . ? 
C91 C96 C97 C98 180.0(4) . . . . ? 
C96 C97 C98 C99 -2.5(7) . . . . ? 
C97 C98 C99 C100 1.9(7) . . . . ? 
C98 C99 C100 C95 0.4(8) . . . . ? 
C94 C95 C100 C99 179.0(5) . . . . ? 
C96 C95 C100 C99 -1.8(7) . . . . ? 
C82 N11 C101 C102 -168.2(5) . . . . ? 
Y3 N11 C101 C102 -10.1(6) . . . . ? 
C105 N13 C102 C101 -178.6(5) . . . . ? 
Y3 N13 C102 C101 6.6(6) . . . . ? 
C105 N13 C102 C103 -0.3(6) . . . . ? 
Y3 N13 C102 C103 -175.1(3) . . . . ? 
N11 C101 C102 N13 2.7(8) . . . . ? 
N11 C101 C102 C103 -175.1(5) . . . . ? 
N13 C102 C103 C104 0.3(6) . . . . ? 
C101 C102 C103 C104 178.3(6) . . . . ? 
C102 C103 C104 C105 -0.2(6) . . . . ? 
C102 N13 C105 C104 0.2(6) . . . . ? 
Y3 N13 C105 C104 173.2(4) . . . . ? 
C103 C104 C105 N13 0.0(6) . . . . ? 
C92 N12 C106 C107 178.0(4) . . . . ? 
Y3 N12 C106 C107 -15.2(6) . . . . ? 
C110 N14 C107 C108 0.5(6) . . . . ? 
Y3 N14 C107 C108 -167.9(3) . . . . ? 
C110 N14 C107 C106 -175.6(4) . . . . ? 
Y3 N14 C107 C106 16.0(6) . . . . ? 
N12 C106 C107 C108 -175.7(5) . . . . ? 
N12 C106 C107 N14 -0.5(7) . . . . ? 
N14 C107 C108 C109 -0.7(6) . . . . ? 
C106 C107 C108 C109 174.8(5) . . . . ? 
C107 C108 C109 C110 0.6(6) . . . . ? 
C107 N14 C110 C109 -0.1(6) . . . . ? 
Y3 N14 C110 C109 162.6(4) . . . . ? 
C108 C109 C110 N14 -0.3(7) . . . . ? 
C120 O3 C117 C118 39.6(5) . . . . ? 
Y3 O3 C117 C118 -149.7(3) . . . . ? 
O3 C117 C118 C119 -24.7(5) . . . . ? 
C117 C118 C119 C120 1.2(5) . . . . ? 
C117 O3 C120 C119 -38.3(5) . . . . ? 
Y3 O3 C120 C119 150.9(3) . . . . ? 
C118 C119 C120 O3 22.3(5) . . . . ? 
C127 C122 C123 C124 -1.7(8) . . . . ? 
C121 C122 C123 C124 -178.5(5) . . . . ? 
C122 C123 C124 C125 1.4(8) . . . . ? 
C123 C124 C125 C126 -1.4(7) . . . . ? 
C124 C125 C126 C127 1.8(7) . . . . ? 
C123 C122 C127 C126 2.1(8) . . . . ? 
C121 C122 C127 C126 178.8(5) . . . . ? 
C125 C126 C127 C122 -2.1(8) . . . . ? 
C134 C129 C130 C131 -0.3(8) . . . . ? 
C128 C129 C130 C131 176.6(5) . . . . ? 
C129 C130 C131 C132 -0.1(8) . . . . ? 
C130 C131 C132 C133 1.1(8) . . . . ? 
C131 C132 C133 C134 -1.6(8) . . . . ? 
C132 C133 C134 C129 1.3(8) . . . . ? 
C130 C129 C134 C133 -0.3(8) . . . . ? 
C128 C129 C134 C133 -177.2(5) . . . . ? 
C141 C136 C137 C138 0.0 . . . . ? 
C135 C136 C137 C138 -179.2(7) . . . . ? 
C136 C137 C138 C139 0.0 . . . . ? 
C137 C138 C139 C140 0.0 . . . . ? 
C138 C139 C140 C141 0.0 . . . . ? 
C139 C140 C141 C136 0.0 . . . . ? 
C137 C136 C141 C140 0.0 . . . . ? 
C135 C136 C141 C140 179.2(8) . . . . ? 
C148 C143 C144 C145 0.0 . . . . ? 
C142 C143 C144 C145 176.2(11) . . . . ? 
C143 C144 C145 C146 0.0 . . . . ? 
C144 C145 C146 C147 0.0 . . . . ? 
C145 C146 C147 C148 0.0 . . . . ? 
C146 C147 C148 C143 0.0 . . . . ? 
C144 C143 C148 C147 0.0 . . . . ? 
C142 C143 C148 C147 -176.1(11) . . . . ? 
  
_diffrn_measured_fraction_theta_max    0.973 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.975 
_refine_diff_density_max    0.375 
_refine_diff_density_min   -0.377 
_refine_diff_density_rms    0.062 

#===END
  
data_compound7 
  
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C98.67 H69.33 N12 Yb2' 
_chemical_formula_sum 
 'C98.67 H69.33 N12 Yb2' 
_chemical_formula_weight          1769.07
_chemical_absolute_configuration  rmad  
  
loop_ 
 _atom_type_symbol 
 _atom_type_description 
 _atom_type_scat_dispersion_real 
 _atom_type_scat_dispersion_imag 
 _atom_type_scat_source 
 'C'  'C'   0.0033   0.0016 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'H'  'H'   0.0000   0.0000 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'N'  'N'   0.0061   0.0033 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
 'Yb'  'Yb'  -0.3850   5.5486 
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
  
_symmetry_cell_setting            monoclinic 
_symmetry_space_group_name_H-M    'C 1 2 1' 
  
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, y, -z' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, y+1/2, -z' 
  
_cell_length_a                    25.536(3) 
_cell_length_b                    22.103(2) 
_cell_length_c                    25.583(3) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  111.308(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      13453(3) 
_cell_formula_units_Z             6 
_cell_measurement_temperature     113(2) 
_cell_measurement_reflns_used     15337 
_cell_measurement_theta_min       1.7 
_cell_measurement_theta_max       27.9 
  
_exptl_crystal_description        block 
_exptl_crystal_colour             orange 
_exptl_crystal_size_max           0.14 
_exptl_crystal_size_mid           0.12 
_exptl_crystal_size_min           0.10 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.310 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              5312 
_exptl_absorpt_coefficient_mu     2.124 
_exptl_absorpt_correction_type    multi-scan 
_exptl_absorpt_correction_T_min   0.7553 
_exptl_absorpt_correction_T_max   0.8157 
_exptl_absorpt_process_details    'Jacobson, R. (1998) Private communication' 
  
_exptl_special_details 
; 
 ? 
; 
  
_diffrn_ambient_temperature       113(2) 
_diffrn_radiation_wavelength      0.71070 
_diffrn_radiation_type            MoK\a 
_diffrn_radiation_source          'rotating anode' 
_diffrn_radiation_monochromator   confocal 
_diffrn_measurement_device_type   'Rigaku Saturn' 
_diffrn_measurement_method        ω 
_diffrn_detector_area_resol_mean  7.31 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             63422 
_diffrn_reflns_av_R_equivalents   0.0645 
_diffrn_reflns_av_sigmaI/netI     0.1059 
_diffrn_reflns_limit_h_min        -32 
_diffrn_reflns_limit_h_max        33 
_diffrn_reflns_limit_k_min        -28 
_diffrn_reflns_limit_k_max        28 
_diffrn_reflns_limit_l_min        -33 
_diffrn_reflns_limit_l_max        33 
_diffrn_reflns_theta_min          1.61 
_diffrn_reflns_theta_max          27.87 
_reflns_number_total              31053 
_reflns_number_gt                 27015 
_reflns_threshold_expression      >2sigma(I) 
  
_computing_data_collection        CrystalClear 
_computing_cell_refinement        CrystalClear 
_computing_data_reduction         CrystalClear 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)' 
_computing_molecular_graphics     ? 
_computing_publication_material   'CrystalStructure 3.7.0' 
  
_refine_special_details 
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
; 
  
_refine_ls_structure_factor_coef  Fsqd 
_refine_ls_matrix_type            full 
_refine_ls_weighting_scheme       calc 
_refine_ls_weighting_details 
 'calc w=1/[σ²(Fo²)+(0.0372P)²+7.7536P] where P=(Fo²+2Fc²)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     constr 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    0.042(7) 
_refine_ls_number_reflns          31053 
_refine_ls_number_parameters      1512 
_refine_ls_number_restraints      44 
_refine_ls_R_factor_all           0.0696 
_refine_ls_R_factor_gt            0.0599 
_refine_ls_wR_factor_ref          0.1275 
_refine_ls_wR_factor_gt           0.1203 
_refine_ls_goodness_of_fit_ref    1.051 
_refine_ls_restrained_S_all       1.051 
_refine_ls_shift/su_max           0.004 
_refine_ls_shift/su_mean          0.000 
  
loop_ 
 _atom_site_label 
 _atom_site_type_symbol 
 _atom_site_fract_x 
 _atom_site_fract_y 
 _atom_site_fract_z 
 _atom_site_U_iso_or_equiv 
 _atom_site_adp_type 
 _atom_site_occupancy 
 _atom_site_symmetry_multiplicity 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_assembly 
 _atom_site_disorder_group 
Yb1 Yb 0.254231(12) 0.408477(15) 1.011078(12) 0.02449(7) Uani 1 1 d . . . 
Yb2 Yb 0.176756(13) 0.413464(15) 0.822177(12) 0.02351(7) Uani 1 1 d . . . 
Yb3 Yb 1.0000 0.79400(2) 0.5000 0.02447(10) Uani 1 2 d S . . 
Yb4 Yb 1.0000 0.58641(2) 0.5000 0.02290(10) Uani 1 2 d S . . 
N1 N 0.2408(3) 0.3821(3) 1.0976(3) 0.0277(15) Uani 1 1 d . . . 
N2 N 0.3386(3) 0.4298(3) 1.0938(2) 0.0255(14) Uani 1 1 d . . . 
N3 N 0.2108(3) 0.4895(3) 1.0402(3) 0.0274(15) Uani 1 1 d . . . 
N4 N 0.3166(3) 0.3265(3) 1.0287(3) 0.0327(16) Uani 1 1 d . . . 
N5 N 0.1062(3) 0.4703(3) 0.8595(3) 0.0303(15) Uani 1 1 d . . . 
N6 N 0.0990(2) 0.4591(3) 0.7461(2) 0.0224(13) Uani 1 1 d . . . 
N7 N 0.1668(3) 0.3670(3) 0.9021(3) 0.0317(16) Uani 1 1 d . . . 
N8 N 0.2021(3) 0.5102(3) 0.7997(3) 0.0303(16) Uani 1 1 d . . . 
N9 N 0.2698(3) 0.3492(3) 0.8527(3) 0.0255(14) Uani 1 1 d . . . 
N10 N 0.2003(2) 0.3847(3) 0.7414(2) 0.0244(14) Uani 1 1 d . . . 
N11 N 0.2490(3) 0.4490(3) 0.9067(3) 0.0299(15) Uani 1 1 d . . . 
N12 N 0.1311(3) 0.3232(3) 0.7841(3) 0.0284(14) Uani 1 1 d . . . 
N13 N 0.9332(2) 0.7517(3) 0.5432(2) 0.0227(13) Uani 1 1 d . . . 
N14 N 0.9080(3) 0.8276(3) 0.4322(3) 0.0276(15) Uani 1 1 d . . . 
N15 N 1.0358(2) 0.7019(3) 0.5561(2) 0.0226(13) Uani 1 1 d . . . 
N16 N 1.0120(3) 0.8779(3) 0.4480(3) 0.0311(15) Uani 1 1 d . . . 
N17 N 0.9831(3) 0.4951(3) 0.4430(3) 0.0278(15) Uani 1 1 d . . . 
N18 N 1.0800(3) 0.5650(3) 0.4784(2) 0.0266(14) Uani 1 1 d . . . 
C1 C 0.3229(3) 0.3704(4) 1.1828(3) 0.0259(17) Uani 1 1 d . . . 
C2 C 0.2779(3) 0.3427(4) 1.1395(3) 0.0286(17) Uani 1 1 d . . . 
C3 C 0.2739(4) 0.2804(4) 1.1348(3) 0.0308(18) Uani 1 1 d . . . 
H3 H 0.2433 0.2628 1.1053 0.037 Uiso 1 1 calc R . . 
C4 C 0.3127(4) 0.2440(4) 1.1714(3) 0.034(2) Uani 1 1 d . . . 
H4 H 0.3091 0.2013 1.1673 0.041 Uiso 1 1 calc R . . 
C5 C 0.3583(3) 0.2688(4) 1.2156(3) 0.0302(18) Uani 1 1 d . . . 
C6 C 0.3646(3) 0.3326(4) 1.2213(3) 0.0293(18) Uani 1 1 d . . . 
C7 C 0.4124(3) 0.3564(4) 1.2643(3) 0.0339(19) Uani 1 1 d . . . 
H7 H 0.4160 0.3991 1.2690 0.041 Uiso 1 1 calc R . . 
C8 C 0.4537(4) 0.3198(5) 1.2995(3) 0.037(2) Uani 1 1 d . . . 
H8 H 0.4860 0.3367 1.3275 0.045 Uiso 1 1 calc R . . 
C9 C 0.4471(4) 0.2566(5) 1.2931(4) 0.046(2) Uani 1 1 d . . . 
H9 H 0.4753 0.2310 1.3177 0.055 Uiso 1 1 calc R . . 
C10 C 0.4009(4) 0.2305(4) 1.2523(3) 0.038(2) Uani 1 1 d . . . 
H10 H 0.3976 0.1878 1.2488 0.045 Uiso 1 1 calc R . . 
C11 C 0.3295(3) 0.4378(4) 1.1841(3) 0.0282(18) Uani 1 1 d . . . 
C12 C 0.3386(3) 0.4656(4) 1.1397(3) 0.0279(17) Uani 1 1 d . . . 
C13 C 0.3448(4) 0.5308(4) 1.1389(4) 0.042(2) Uani 1 1 d . . . 
H13 H 0.3507 0.5497 1.1082 0.050 Uiso 1 1 calc R . . 
C14 C 0.3422(4) 0.5638(4) 1.1806(4) 0.045(2) Uani 1 1 d . . . 
H14 H 0.3463 0.6064 1.1794 0.054 Uiso 1 1 calc R . . 
C15 C 0.3333(4) 0.5372(4) 1.2282(4) 0.043(2) Uani 1 1 d . . . 
C16 C 0.3241(3) 0.4744(4) 1.2282(3) 0.0296(18) Uani 1 1 d . . . 
C17 C 0.3109(4) 0.4494(4) 1.2728(3) 0.039(2) Uani 1 1 d . . . 
H17 H 0.3041 0.4071 1.2733 0.047 Uiso 1 1 calc R . . 
C18 C 0.3078(4) 0.4852(5) 1.3147(4) 0.044(2) Uani 1 1 d . . . 
H18 H 0.2982 0.4677 1.3440 0.052 Uiso 1 1 calc R . . 
C19 C 0.3185(4) 0.5477(4) 1.3158(4) 0.053(3) Uani 1 1 d . . . 
H19 H 0.3173 0.5723 1.3458 0.063 Uiso 1 1 calc R . . 
C20 C 0.3307(4) 0.5720(5) 1.2723(4) 0.051(3) Uani 1 1 d . . . 
H20 H 0.3375 0.6143 1.2723 0.061 Uiso 1 1 calc R . . 
C21 C 0.2149(4) 0.4229(4) 1.1153(3) 0.036(2) Uani 1 1 d . . . 
H21A H 0.2098 0.4165 1.1498 0.044 Uiso 1 1 calc R . . 
C22 C 0.1940(4) 0.4763(4) 1.0851(3) 0.0311(19) Uani 1 1 d . . . 
C23 C 0.1652(4) 0.5246(4) 1.0954(4) 0.042(2) Uani 1 1 d . . . 
H23 H 0.1498 0.5274 1.1240 0.050 Uiso 1 1 calc R . . 
C24 C 0.1632(4) 0.5681(5) 1.0561(4) 0.052(3) Uani 1 1 d . . . 
H24 H 0.1455 0.6065 1.0521 0.063 Uiso 1 1 calc R . . 
C25 C 0.1911(3) 0.5460(4) 1.0240(3) 0.0301(18) Uani 1 1 d . . . 
H25 H 0.1961 0.5675 0.9939 0.036 Uiso 1 1 calc R . . 
C26 C 0.3769(3) 0.3891(4) 1.1025(3) 0.0306(19) Uani 1 1 d . . . 
H26A H 0.4113 0.3937 1.1333 0.037 Uiso 1 1 calc R . . 
C27 C 0.3691(4) 0.3368(4) 1.0670(3) 0.0310(18) Uani 1 1 d . . . 
C28 C 0.4067(4) 0.2905(4) 1.0696(4) 0.040(2) Uani 1 1 d . . . 
H28 H 0.4450 0.2877 1.0936 0.048 Uiso 1 1 calc R . . 
C29 C 0.3759(4) 0.2496(4) 1.0296(4) 0.044(2) Uani 1 1 d . . . 
H29 H 0.3895 0.2129 1.0199 0.053 Uiso 1 1 calc R . . 
C30 C 0.3204(4) 0.2722(4) 1.0056(3) 0.036(2) Uani 1 1 d . . . 
H30 H 0.2903 0.2523 0.9775 0.043 Uiso 1 1 calc R . . 
C31 C 0.0299(3) 0.5265(4) 0.7897(3) 0.0244(16) Uani 1 1 d . . . 
C32 C 0.0753(3) 0.5251(4) 0.8389(3) 0.0290(18) Uani 1 1 d . . . 
C33 C 0.0948(4) 0.5785(4) 0.8720(3) 0.036(2) Uani 1 1 d . . . 
H33 H 0.1270 0.5766 0.9055 0.043 Uiso 1 1 calc R . . 
C34 C 0.0672(4) 0.6319(4) 0.8555(3) 0.036(2) Uani 1 1 d . . . 
H34 H 0.0803 0.6673 0.8775 0.043 Uiso 1 1 calc R . . 
C35 C 0.0194(3) 0.6350(4) 0.8059(3) 0.0317(18) Uani 1 1 d . . . 
C36 C 0.0025(3) 0.5835(4) 0.7708(3) 0.0249(15) Uani 1 1 d . . . 
C37 C -0.0417(3) 0.5900(4) 0.7178(3) 0.0307(17) Uani 1 1 d . . . 
H37 H -0.0518 0.5566 0.6927 0.037 Uiso 1 1 calc R . . 
C38 C -0.0698(3) 0.6435(4) 0.7024(3) 0.0279(17) Uani 1 1 d . . . 
H38 H -0.1000 0.6467 0.6673 0.034 Uiso 1 1 calc R . . 
C39 C -0.0543(3) 0.6940(5) 0.7385(3) 0.041(2) Uani 1 1 d . . . 
H39 H -0.0745 0.7309 0.7274 0.049 Uiso 1 1 calc R . . 
C40 C -0.0120(3) 0.6911(5) 0.7877(3) 0.040(2) Uani 1 1 d . . . 
H40 H -0.0021 0.7258 0.8112 0.048 Uiso 1 1 calc R . . 
C41 C 0.0080(3) 0.4713(4) 0.7548(3) 0.0287(17) Uani 1 1 d . . . 
C42 C 0.0418(3) 0.4390(3) 0.7322(3) 0.0220(15) Uani 1 1 d . . . 
C43 C 0.0228(4) 0.3876(4) 0.6985(3) 0.036(2) Uani 1 1 d . . . 
H43 H 0.0474 0.3660 0.6849 0.043 Uiso 1 1 calc R . . 
C44 C -0.0315(3) 0.3691(4) 0.6855(3) 0.0318(18) Uani 1 1 d . . . 
H44 H -0.0447 0.3351 0.6615 0.038 Uiso 1 1 calc R . . 
C45 C -0.0687(3) 0.3989(4) 0.7065(3) 0.0307(18) Uani 1 1 d . . . 
C46 C -0.0483(3) 0.4490(4) 0.7428(3) 0.0321(19) Uani 1 1 d . . . 
C47 C -0.0858(4) 0.4763(4) 0.7665(4) 0.044(2) Uani 1 1 d . . . 
H47 H -0.0726 0.5084 0.7926 0.052 Uiso 1 1 calc R . . 
C48 C -0.1417(4) 0.4563(5) 0.7517(4) 0.044(2) Uani 1 1 d . . . 
H48 H -0.1663 0.4752 0.7671 0.053 Uiso 1 1 calc R . . 
C49 C -0.1602(3) 0.4083(6) 0.7142(4) 0.051(2) Uani 1 1 d . . . 
H49 H -0.1981 0.3953 0.7031 0.061 Uiso 1 1 calc R . . 
C50 C -0.1245(4) 0.3790(5) 0.6926(4) 0.051(3) Uani 1 1 d . . . 
H50 H -0.1378 0.3453 0.6683 0.061 Uiso 1 1 calc R . . 
C51 C 0.1098(3) 0.4519(3) 0.9080(3) 0.0263(17) Uani 1 1 d . . . 
H51 H 0.0918 0.4742 0.9284 0.032 Uiso 1 1 calc R . . 
C52 C 0.1404(3) 0.3984(3) 0.9320(3) 0.0253(17) Uani 1 1 d . . . 
C53 C 0.1449(3) 0.3679(4) 0.9814(3) 0.0291(17) Uani 1 1 d . . . 
H53A H 0.1303 0.3803 1.0090 0.035 Uiso 1 1 calc R . . 
C54 C 0.1755(3) 0.3154(4) 0.9816(3) 0.0318(19) Uani 1 1 d . . . 
H54A H 0.1861 0.2851 1.0099 0.038 Uiso 1 1 calc R . . 
C55 C 0.1876(4) 0.3156(4) 0.9324(4) 0.0328(19) Uani 1 1 d . . . 
H55A H 0.2075 0.2846 0.9217 0.039 Uiso 1 1 calc R . . 
C56 C 0.1097(4) 0.5121(4) 0.7319(3) 0.0288(19) Uani 1 1 d . . . 
H56A H 0.0802 0.5341 0.7050 0.035 Uiso 1 1 calc R . . 
C57 C 0.1633(3) 0.5389(4) 0.7545(3) 0.0247(16) Uani 1 1 d . . . 
C58 C 0.1840(3) 0.5935(4) 0.7432(3) 0.0323(19) Uani 1 1 d . . . 
H58 H 0.1646 0.6221 0.7151 0.039 Uiso 1 1 calc R . . 
C59 C 0.2393(3) 0.5976(3) 0.7817(3) 0.0282(17) Uani 1 1 d . . . 
H59 H 0.2654 0.6291 0.7844 0.034 Uiso 1 1 calc R . . 
C60 C 0.2481(3) 0.5463(4) 0.8152(3) 0.0281(18) Uani 1 1 d . . . 
H60 H 0.2823 0.5376 0.8453 0.034 Uiso 1 1 calc R . . 
C61 C 0.2909(3) 0.3027(3) 0.7756(3) 0.0234(16) Uani 1 1 d . . . 
C62 C 0.2802(3) 0.2967(4) 0.8247(3) 0.0264(16) Uani 1 1 d . . . 
C63 C 0.2762(4) 0.2395(4) 0.8473(4) 0.039(2) Uani 1 1 d . . . 
H63 H 0.2689 0.2368 0.8811 0.047 Uiso 1 1 calc R . . 
C64 C 0.2828(4) 0.1868(4) 0.8201(3) 0.0401(19) Uani 1 1 d . . . 
H64 H 0.2818 0.1483 0.8361 0.048 Uiso 1 1 calc R . . 
C65 C 0.2912(3) 0.1913(4) 0.7683(3) 0.0329(17) Uani 1 1 d . . . 
C66 C 0.2943(3) 0.2483(4) 0.7457(4) 0.0321(19) Uani 1 1 d . . . 
C67 C 0.2974(3) 0.2528(4) 0.6915(3) 0.0298(18) Uani 1 1 d . . . 
H67 H 0.2985 0.2915 0.6757 0.036 Uiso 1 1 calc R . . 
C68 C 0.2988(3) 0.2010(4) 0.6619(3) 0.035(2) Uani 1 1 d . . . 
H68 H 0.3004 0.2038 0.6254 0.042 Uiso 1 1 calc R . . 
C69 C 0.2979(4) 0.1436(4) 0.6864(4) 0.039(2) Uani 1 1 d . . . 
H69 H 0.3004 0.1080 0.6667 0.047 Uiso 1 1 calc R . . 
C70 C 0.2936(4) 0.1389(4) 0.7372(4) 0.043(2) Uani 1 1 d . . . 
H70 H 0.2921 0.1000 0.7524 0.052 Uiso 1 1 calc R . . 
C71 C 0.2971(3) 0.3634(3) 0.7540(3) 0.0230(15) Uani 1 1 d . . . 
C72 C 0.2514(3) 0.4023(4) 0.7359(3) 0.0251(16) Uani 1 1 d . . . 
C73 C 0.2554(4) 0.4604(4) 0.7152(3) 0.0328(18) Uani 1 1 d . . . 
H73 H 0.2236 0.4864 0.7034 0.039 Uiso 1 1 calc R . . 
C74 C 0.3054(4) 0.4797(4) 0.7123(3) 0.0338(19) Uani 1 1 d . . . 
H74 H 0.3074 0.5186 0.6973 0.041 Uiso 1 1 calc R . . 
C75 C 0.3551(3) 0.4422(3) 0.7312(3) 0.0259(17) Uani 1 1 d . . . 
C76 C 0.3496(3) 0.3843(4) 0.7528(3) 0.0276(17) Uani 1 1 d . . . 
C77 C 0.3995(3) 0.3474(4) 0.7712(3) 0.0287(17) Uani 1 1 d . . . 
H77 H 0.3980 0.3083 0.7860 0.034 Uiso 1 1 calc R . . 
C78 C 0.4481(4) 0.3671(4) 0.7680(4) 0.040(2) Uani 1 1 d . . . 
H78 H 0.4805 0.3420 0.7810 0.048 Uiso 1 1 calc R . . 
C79 C 0.4515(4) 0.4239(4) 0.7456(4) 0.045(2) Uani 1 1 d . . . 
H79 H 0.4859 0.4365 0.7427 0.053 Uiso 1 1 calc R . . 
C80 C 0.4053(4) 0.4621(4) 0.7277(4) 0.041(2) Uani 1 1 d . . . 
H80 H 0.4080 0.5011 0.7133 0.049 Uiso 1 1 calc R . . 
C81 C 0.3085(3) 0.3660(4) 0.8984(3) 0.0254(16) Uani 1 1 d . . . 
H81 H 0.3425 0.3436 0.9131 0.030 Uiso 1 1 calc R . . 
C82 C 0.3002(3) 0.4194(4) 0.9277(3) 0.0245(16) Uani 1 1 d . . . 
C83 C 0.3381(3) 0.4503(4) 0.9727(3) 0.0283(18) Uani 1 1 d . . . 
H83A H 0.3757 0.4390 0.9942 0.034 Uiso 1 1 calc R . . 
C84 C 0.3091(4) 0.5023(4) 0.9797(3) 0.0336(19) Uani 1 1 d . . . 
H84A H 0.3233 0.5326 1.0076 0.040 Uiso 1 1 calc R . . 
C85 C 0.2563(4) 0.5007(4) 0.9383(3) 0.0293(18) Uani 1 1 d . . . 
H85A H 0.2286 0.5313 0.9324 0.035 Uiso 1 1 calc R . . 
C86 C 0.1770(3) 0.3344(4) 0.7179(3) 0.0279(18) Uani 1 1 d . . . 
H86A H 0.1858 0.3184 0.6876 0.033 Uiso 1 1 calc R . . 
C87 C 0.1391(3) 0.3032(4) 0.7364(3) 0.0286(18) Uani 1 1 d . . . 
C88 C 0.1081(4) 0.2503(4) 0.7171(4) 0.037(2) Uani 1 1 d . . . 
H88 H 0.1065 0.2275 0.6850 0.044 Uiso 1 1 calc R . . 
C89 C 0.0808(4) 0.2371(4) 0.7527(4) 0.044(2) Uani 1 1 d . . . 
H89 H 0.0568 0.2037 0.7505 0.053 Uiso 1 1 calc R . . 
C90 C 0.0953(4) 0.2828(4) 0.7929(4) 0.039(2) Uani 1 1 d . . . 
H90 H 0.0818 0.2853 0.8229 0.047 Uiso 1 1 calc R . . 
C91 C 0.8417(3) 0.8022(3) 0.5003(3) 0.0289(18) Uani 1 1 d . . . 
C92 C 0.8872(3) 0.7862(4) 0.5480(3) 0.0248(16) Uani 1 1 d . . . 
C93 C 0.8926(4) 0.8088(3) 0.6021(3) 0.0307(19) Uani 1 1 d . . . 
H93 H 0.9217 0.7943 0.6347 0.037 Uiso 1 1 calc R . . 
C94 C 0.8561(4) 0.8509(4) 0.6066(3) 0.0346(19) Uani 1 1 d . . . 
H94 H 0.8604 0.8659 0.6427 0.042 Uiso 1 1 calc R . . 
C95 C 0.8125(4) 0.8730(4) 0.5601(3) 0.0347(19) Uani 1 1 d . . . 
C96 C 0.8042(3) 0.8472(4) 0.5061(3) 0.0337(19) Uani 1 1 d . . . 
C97 C 0.7600(4) 0.8684(4) 0.4585(4) 0.044(2) Uani 1 1 d . . . 
H97 H 0.7524 0.8500 0.4230 0.053 Uiso 1 1 calc R . . 
C98 C 0.7264(4) 0.9182(5) 0.4644(4) 0.049(2) Uani 1 1 d . . . 
H98 H 0.6980 0.9348 0.4323 0.059 Uiso 1 1 calc R . . 
C99 C 0.7353(4) 0.9416(5) 0.5161(4) 0.056(3) Uani 1 1 d . . . 
H99 H 0.7114 0.9729 0.5198 0.067 Uiso 1 1 calc R . . 
C100 C 0.7785(4) 0.9208(4) 0.5635(4) 0.044(2) Uani 1 1 d . . . 
H100 H 0.7849 0.9395 0.5988 0.052 Uiso 1 1 calc R . . 
C101 C 0.8309(3) 0.7737(4) 0.4451(3) 0.0291(18) Uani 1 1 d . . . 
C102 C 0.8580(3) 0.7930(4) 0.4107(3) 0.0329(19) Uani 1 1 d . . . 
C103 C 0.8394(4) 0.7725(4) 0.3542(3) 0.038(2) Uani 1 1 d . . . 
H103 H 0.8574 0.7875 0.3302 0.045 Uiso 1 1 calc R . . 
C104 C 0.7973(3) 0.7327(4) 0.3337(3) 0.038(2) Uani 1 1 d . . . 
H104 H 0.7848 0.7216 0.2952 0.045 Uiso 1 1 calc R . . 
C105 C 0.7714(3) 0.7073(4) 0.3684(3) 0.036(2) Uani 1 1 d . . . 
C106 C 0.7869(3) 0.7292(4) 0.4252(3) 0.0340(19) Uani 1 1 d . . . 
C107 C 0.7614(3) 0.7047(4) 0.4600(3) 0.0335(19) Uani 1 1 d . . . 
H107 H 0.7702 0.7201 0.4969 0.040 Uiso 1 1 calc R . . 
C108 C 0.7233(4) 0.6579(5) 0.4408(4) 0.045(2) Uani 1 1 d . . . 
H108 H 0.7065 0.6411 0.4651 0.054 Uiso 1 1 calc R . . 
C109 C 0.7090(4) 0.6344(5) 0.3860(4) 0.052(3) Uani 1 1 d . . . 
H109 H 0.6834 0.6016 0.3741 0.063 Uiso 1 1 calc R . . 
C110 C 0.7313(4) 0.6585(5) 0.3512(4) 0.051(3) Uani 1 1 d . . . 
H110 H 0.7207 0.6431 0.3141 0.061 Uiso 1 1 calc R . . 
C111 C 0.9501(3) 0.7058(3) 0.5746(3) 0.0235(16) Uani 1 1 d . . . 
H111 H 0.9281 0.6910 0.5949 0.028 Uiso 1 1 calc R . . 
C112 C 1.0010(3) 0.6763(3) 0.5800(3) 0.0242(16) Uani 1 1 d . . . 
C113 C 1.0260(3) 0.6243(3) 0.6103(3) 0.0228(15) Uani 1 1 d . . . 
H11A H 1.0110 0.5992 0.6316 0.027 Uiso 1 1 calc R . . 
C114 C 1.0779(3) 0.6164(4) 0.6029(3) 0.0306(18) Uani 1 1 d . . . 
H11B H 1.1042 0.5845 0.6171 0.037 Uiso 1 1 calc R . . 
C115 C 1.0825(3) 0.6657(3) 0.5703(3) 0.0228(16) Uani 1 1 d . . . 
H11C H 1.1138 0.6730 0.5595 0.027 Uiso 1 1 calc R . . 
C116 C 0.9128(4) 0.8744(4) 0.4024(3) 0.036(2) Uani 1 1 d . . . 
H116 H 0.8802 0.8891 0.3732 0.043 Uiso 1 1 calc R . . 
C117 C 0.9631(4) 0.9024(4) 0.4122(3) 0.036(2) Uani 1 1 d . . . 
C118 C 0.9754(4) 0.9575(4) 0.3881(3) 0.042(2) Uani 1 1 d . . . 
H118 H 0.9492 0.9834 0.3617 0.050 Uiso 1 1 calc R . . 
C119 C 1.0321(4) 0.9644(4) 0.4111(4) 0.044(2) Uani 1 1 d . . . 
H119 H 1.0533 0.9963 0.4035 0.053 Uiso 1 1 calc R . . 
C120 C 1.0538(4) 0.9155(4) 0.4483(3) 0.0351(18) Uani 1 1 d . . . 
H120 H 1.0924 0.9099 0.4705 0.042 Uiso 1 1 calc R . . 
C121 C 0.9694(3) 0.3999(4) 0.4826(3) 0.0277(17) Uani 1 1 d . . . 
C122 C 0.9468(3) 0.4468(3) 0.4443(3) 0.0248(16) Uani 1 1 d . . . 
C123 C 0.8896(4) 0.4474(4) 0.4106(3) 0.035(2) Uani 1 1 d . . . 
H123 H 0.8751 0.4786 0.3835 0.042 Uiso 1 1 calc R . . 
C124 C 0.8543(3) 0.4034(5) 0.4163(4) 0.043(2) Uani 1 1 d . . . 
H124 H 0.8157 0.4043 0.3929 0.051 Uiso 1 1 calc R . . 
C125 C 0.8740(4) 0.3572(4) 0.4561(4) 0.043(2) Uani 1 1 d . . . 
C126 C 0.9328(4) 0.3548(4) 0.4901(4) 0.039(2) Uani 1 1 d . . . 
C127 C 0.9531(5) 0.3095(5) 0.5327(5) 0.056(3) Uani 1 1 d . . . 
H127 H 0.9919 0.3070 0.5554 0.067 Uiso 1 1 calc R . . 
C128 C 0.9148(5) 0.2694(5) 0.5399(6) 0.063(3) Uani 1 1 d . . . 
H128 H 0.9280 0.2376 0.5664 0.075 Uiso 1 1 calc R . . 
C129 C 0.8570(5) 0.2742(5) 0.5091(6) 0.067(3) Uani 1 1 d . . . 
H129 H 0.8310 0.2486 0.5171 0.080 Uiso 1 1 calc R . . 
C130 C 0.8392(5) 0.3153(5) 0.4686(6) 0.075(4) Uani 1 1 d . . . 
H130 H 0.8002 0.3164 0.4466 0.090 Uiso 1 1 calc R . . 
C131 C 1.0243(3) 0.4824(4) 0.4253(3) 0.0281(18) Uani 1 1 d . . . 
H13A H 1.0222 0.4466 0.4042 0.034 Uiso 1 1 calc R . . 
C132 C 1.0712(3) 0.5206(4) 0.4369(3) 0.0255(17) Uani 1 1 d . . . 
C133 C 1.1135(4) 0.5210(4) 0.4151(3) 0.034(2) Uani 1 1 d . . . 
H133 H 1.1166 0.4955 0.3864 0.041 Uiso 1 1 calc R . . 
C134 C 1.1505(4) 0.5661(4) 0.4434(4) 0.042(2) Uani 1 1 d . . . 
H134 H 1.1838 0.5778 0.4377 0.051 Uiso 1 1 calc R . . 
C135 C 1.1294(3) 0.5913(4) 0.4820(3) 0.0293(17) Uani 1 1 d . . . 
H135 H 1.1474 0.6229 0.5074 0.035 Uiso 1 1 calc R . . 
C136 C 0.9607(10) 0.1428(14) 0.4269(13) 0.245(14) Uani 1 1 d DU . . 
H13B H 0.9459 0.1757 0.3999 0.368 Uiso 1 1 calc R . . 
H13C H 0.9772 0.1116 0.4104 0.368 Uiso 1 1 calc R . . 
H13D H 0.9896 0.1588 0.4610 0.368 Uiso 1 1 calc R . . 
C137 C 0.9146(5) 0.1162(7) 0.4414(5) 0.152(8) Uani 1 1 d GDU . . 
C138 C 0.9140(5) 0.0567(6) 0.4588(4) 0.091(4) Uani 1 1 d GU . . 
H138 H 0.9457 0.0315 0.4650 0.109 Uiso 1 1 calc R . . 
C139 C 0.8668(7) 0.0342(5) 0.4673(5) 0.162(9) Uani 1 1 d GU . . 
H139 H 0.8664 -0.0064 0.4792 0.194 Uiso 1 1 calc R . . 
C140 C 0.8203(5) 0.0712(7) 0.4583(5) 0.161(9) Uani 1 1 d GU . . 
H140 H 0.7881 0.0558 0.4641 0.194 Uiso 1 1 calc R . . 
C141 C 0.8209(5) 0.1307(7) 0.4409(5) 0.130(6) Uani 1 1 d GU . . 
H141 H 0.7892 0.1559 0.4347 0.156 Uiso 1 1 calc R . . 
C142 C 0.8681(7) 0.1532(5) 0.4324(5) 0.131(7) Uani 1 1 d GU . . 
H142 H 0.8685 0.1938 0.4204 0.158 Uiso 1 1 calc R . . 
C143 C 0.1939(8) 0.1604(5) 0.9634(6) 0.079(4) Uani 1 1 d . . . 
H143 H 0.2167 0.1606 0.9412 0.095 Uiso 1 1 calc R . . 
C144 C 0.1383(9) 0.1626(6) 0.9386(7) 0.096(5) Uani 1 1 d . . . 
H144 H 0.1225 0.1622 0.8987 0.115 Uiso 1 1 calc R . . 
C145 C 0.1026(9) 0.1653(8) 0.9674(11) 0.135(8) Uani 1 1 d . . . 
H145 H 0.0634 0.1713 0.9482 0.162 Uiso 1 1 calc R . . 
C146 C 0.1260(9) 0.1587(8) 1.0289(10) 0.144(9) Uani 1 1 d . . . 
H146 H 0.1032 0.1571 1.0510 0.173 Uiso 1 1 calc R . . 
C147 C 0.1839(9) 0.1551(6) 1.0516(6) 0.097(6) Uani 1 1 d . . . 
H147 H 0.2008 0.1505 1.0912 0.116 Uiso 1 1 calc R . . 
C148 C 0.2192(6) 0.1576(5) 1.0219(6) 0.068(3) Uani 1 1 d . . . 
H148 H 0.2589 0.1575 1.0403 0.082 Uiso 1 1 calc R . . 
  
  
_geom_special_details 
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
; 
  
loop_ 
 _geom_bond_atom_site_label_1 
 _geom_bond_atom_site_label_2 
 _geom_bond_distance 
 _geom_bond_site_symmetry_2 
 _geom_bond_publ_flag 
Yb1 N4 2.347(7) . ? 
Yb1 N3 2.364(6) . ? 
Yb1 N1 2.430(7) . ? 
Yb1 N2 2.456(6) . ? 
Yb1 C53 2.763(8) . ? 
Yb1 C85 2.774(8) . ? 
Yb1 N11 2.774(7) . ? 
Yb1 C84 2.779(8) . ? 
Yb1 C54 2.782(8) . ? 
Yb1 C82 2.793(7) . ? 
Yb1 C83 2.817(8) . ? 
Yb1 C52 2.885(7) . ? 
Yb2 N12 2.337(7) . ? 
Yb2 N8 2.366(7) . ? 
Yb2 N7 2.383(7) . ? 
Yb2 N11 2.407(6) . ? 
Yb2 N6 2.437(5) . ? 
Yb2 N10 2.437(6) . ? 
Yb2 N9 2.631(6) . ? 
Yb2 N5 2.644(7) . ? 
Yb3 N16 2.367(7) 2_756 ? 
Yb3 N16 2.367(7) . ? 
Yb3 N15 2.467(6) 2_756 ? 
Yb3 N15 2.467(6) . ? 
Yb3 N14 2.473(6) 2_756 ? 
Yb3 N14 2.473(6) . ? 
Yb3 N13 2.524(6) . ? 
Yb3 N13 2.524(6) 2_756 ? 
Yb3 C117 3.183(8) 2_756 ? 
Yb4 N18 2.351(7) . ? 
Yb4 N18 2.351(7) 2_756 ? 
Yb4 N17 2.435(7) . ? 
Yb4 N17 2.435(7) 2_756 ? 
Yb4 C114 2.743(7) 2_756 ? 
Yb4 C114 2.743(7) . ? 
Yb4 C113 2.782(7) 2_756 ? 
Yb4 C113 2.782(7) . ? 
Yb4 C115 2.827(7) . ? 
Yb4 C115 2.827(7) 2_756 ? 
Yb4 C112 2.845(8) 2_756 ? 
Yb4 C112 2.845(8) . ? 
N1 C21 1.294(10) . ? 
N1 C2 1.438(9) . ? 
N2 C26 1.287(9) . ? 
N2 C12 1.414(10) . ? 
N3 C25 1.356(10) . ? 
N3 C22 1.395(10) . ? 
N4 C30 1.356(10) . ? 
N4 C27 1.361(10) . ? 
N5 C51 1.275(9) . ? 
N5 C32 1.437(10) . ? 
N6 C56 1.284(10) . ? 
N6 C42 1.444(9) . ? 
N7 C55 1.369(10) . ? 
N7 C52 1.379(10) . ? 
N8 C60 1.353(10) . ? 
N8 C57 1.375(9) . ? 
N9 C81 1.282(9) . ? 
N9 C62 1.439(9) . ? 
N10 C86 1.301(10) . ? 
N10 C72 1.417(9) . ? 
N11 C85 1.375(10) . ? 
N11 C82 1.383(9) . ? 
N12 C90 1.354(10) . ? 
N12 C87 1.380(10) . ? 
N13 C111 1.267(9) . ? 
N13 C92 1.443(9) . ? 
N14 C116 1.317(10) . ? 
N14 C102 1.417(11) . ? 
N15 C112 1.370(9) . ? 
N15 C115 1.371(9) . ? 
N16 C120 1.351(11) . ? 
N16 C117 1.364(10) . ? 
N17 C131 1.316(10) . ? 
N17 C122 1.423(10) . ? 
N18 C135 1.362(10) . ? 
N18 C132 1.402(10) . ? 
C1 C2 1.413(10) . ? 
C1 C6 1.428(10) . ? 
C1 C11 1.498(11) . ? 
C2 C3 1.384(11) . ? 
C3 C4 1.354(11) . ? 
C3 H3 0.9500 . ? 
C4 C5 1.405(11) . ? 
C4 H4 0.9500 . ? 
C5 C6 1.422(12) . ? 
C5 C10 1.428(11) . ? 
C6 C7 1.415(11) . ? 
C7 C8 1.374(11) . ? 
C7 H7 0.9500 . ? 
C8 C9 1.410(13) . ? 
C8 H8 0.9500 . ? 
C9 C10 1.385(13) . ? 
C9 H9 0.9500 . ? 
C10 H10 0.9500 . ? 
C11 C12 1.385(11) . ? 
C11 C16 1.435(11) . ? 
C12 C13 1.451(12) . ? 
C13 C14 1.314(12) . ? 
C13 H13 0.9500 . ? 
C14 C15 1.440(14) . ? 
C14 H14 0.9500 . ? 
C15 C20 1.389(13) . ? 
C15 C16 1.407(12) . ? 
C16 C17 1.414(12) . ? 
C17 C18 1.360(12) . ? 
C17 H17 0.9500 . ? 
C18 C19 1.406(14) . ? 
C18 H18 0.9500 . ? 
C19 C20 1.370(15) . ? 
C19 H19 0.9500 . ? 
C20 H20 0.9500 . ? 
C21 C22 1.406(12) . ? 
C21 H21A 0.9500 . ? 
C22 C23 1.374(11) . ? 
C23 C24 1.380(13) . ? 
C23 H23 0.9500 . ? 
C24 C25 1.358(12) . ? 
C24 H24 0.9500 . ? 
C25 H25 0.9500 . ? 
C26 C27 1.440(11) . ? 
C26 H26A 0.9500 . ? 
C27 C28 1.386(11) . ? 
C28 C29 1.377(13) . ? 
C28 H28 0.9500 . ? 
C29 C30 1.414(12) . ? 
C29 H29 0.9500 . ? 
C30 H30 0.9500 . ? 
C31 C32 1.368(10) . ? 
C31 C36 1.437(10) . ? 
C31 C41 1.495(11) . ? 
C32 C33 1.431(11) . ? 
C33 C34 1.361(11) . ? 
C33 H33 0.9500 . ? 
C34 C35 1.406(10) . ? 
C34 H34 0.9500 . ? 
C35 C36 1.416(11) . ? 
C35 C40 1.459(11) . ? 
C36 C37 1.421(10) . ? 
C37 C38 1.365(11) . ? 
C37 H37 0.9500 . ? 
C38 C39 1.411(12) . ? 
C38 H38 0.9500 . ? 
C39 C40 1.331(10) . ? 
C39 H39 0.9500 . ? 
C40 H40 0.9500 . ? 
C41 C42 1.396(10) . ? 
C41 C46 1.443(11) . ? 
C42 C43 1.400(10) . ? 
C43 C44 1.366(11) . ? 
C43 H43 0.9500 . ? 
C44 C45 1.412(11) . ? 
C44 H44 0.9500 . ? 
C45 C50 1.409(11) . ? 
C45 C46 1.418(11) . ? 
C46 C47 1.439(12) . ? 
C47 C48 1.407(13) . ? 
C47 H47 0.9500 . ? 
C48 C49 1.395(14) . ? 
C48 H48 0.9500 . ? 
C49 C50 1.385(14) . ? 
C49 H49 0.9500 . ? 
C50 H50 0.9500 . ? 
C51 C52 1.427(10) . ? 
C51 H51 0.9500 . ? 
C52 C53 1.399(10) . ? 
C53 C54 1.398(11) . ? 
C53 H53A 0.9500 . ? 
C54 C55 1.401(12) . ? 
C54 H54A 0.9500 . ? 
C55 H55A 0.9500 . ? 
C56 C57 1.408(11) . ? 
C56 H56A 0.9500 . ? 
C57 C58 1.388(11) . ? 
C58 C59 1.401(10) . ? 
C58 H58 0.9500 . ? 
C59 C60 1.389(10) . ? 
C59 H59 0.9500 . ? 
C60 H60 0.9500 . ? 
C61 C62 1.385(10) . ? 
C61 C66 1.445(11) . ? 
C61 C71 1.483(10) . ? 
C62 C63 1.408(11) . ? 
C63 C64 1.400(12) . ? 
C63 H63 0.9500 . ? 
C64 C65 1.419(11) . ? 
C64 H64 0.9500 . ? 
C65 C66 1.400(12) . ? 
C65 C70 1.418(12) . ? 
C66 C67 1.420(11) . ? 
C67 C68 1.382(11) . ? 
C67 H67 0.9500 . ? 
C68 C69 1.419(13) . ? 
C68 H68 0.9500 . ? 
C69 C70 1.349(13) . ? 
C69 H69 0.9500 . ? 
C70 H70 0.9500 . ? 
C71 C72 1.387(10) . ? 
C71 C76 1.428(10) . ? 
C72 C73 1.407(11) . ? 
C73 C74 1.374(12) . ? 
C73 H73 0.9500 . ? 
C74 C75 1.443(11) . ? 
C74 H74 0.9500 . ? 
C75 C80 1.390(11) . ? 
C75 C76 1.420(10) . ? 
C76 C77 1.440(10) . ? 
C77 C78 1.348(12) . ? 
C77 H77 0.9500 . ? 
C78 C79 1.395(13) . ? 
C78 H78 0.9500 . ? 
C79 C80 1.386(13) . ? 
C79 H79 0.9500 . ? 
C80 H80 0.9500 . ? 
C81 C82 1.455(11) . ? 
C81 H81 0.9500 . ? 
C82 C83 1.385(10) . ? 
C83 C84 1.414(11) . ? 
C83 H83A 0.9500 . ? 
C84 C85 1.380(11) . ? 
C84 H84A 0.9500 . ? 
C85 H85A 0.9500 . ? 
C86 C87 1.403(11) . ? 
C86 H86A 0.9500 . ? 
C87 C88 1.398(11) . ? 
C88 C89 1.365(13) . ? 
C88 H88 0.9500 . ? 
C89 C90 1.392(12) . ? 
C89 H89 0.9500 . ? 
C90 H90 0.9500 . ? 
C91 C92 1.392(10) . ? 
C91 C96 1.425(11) . ? 
C91 C101 1.477(10) . ? 
C92 C93 1.429(10) . ? 
C93 C94 1.352(11) . ? 
C93 H93 0.9500 . ? 
C94 C95 1.388(11) . ? 
C94 H94 0.9500 . ? 
C95 C100 1.390(12) . ? 
C95 C96 1.437(11) . ? 
C96 C97 1.406(10) . ? 
C97 C98 1.437(13) . ? 
C97 H97 0.9500 . ? 
C98 C99 1.359(13) . ? 
C98 H98 0.9500 . ? 
C99 C100 1.389(12) . ? 
C99 H99 0.9500 . ? 
C100 H100 0.9500 . ? 
C101 C102 1.371(11) . ? 
C101 C106 1.440(12) . ? 
C102 C103 1.422(11) . ? 
C103 C104 1.340(12) . ? 
C103 H103 0.9500 . ? 
C104 C105 1.402(12) . ? 
C104 H104 0.9500 . ? 
C105 C110 1.441(12) . ? 
C105 C106 1.444(10) . ? 
C106 C107 1.389(11) . ? 
C107 C108 1.383(12) . ? 
C107 H107 0.9500 . ? 
C108 C109 1.412(12) . ? 
C108 H108 0.9500 . ? 
C109 C110 1.332(13) . ? 
C109 H109 0.9500 . ? 
C110 H110 0.9500 . ? 
C111 C112 1.418(10) . ? 
C111 H111 0.9500 . ? 
C112 C113 1.404(10) . ? 
C113 C114 1.417(11) . ? 
C113 H11A 0.9500 . ? 
C114 C115 1.402(10) . ? 
C114 H11B 0.9500 . ? 
C115 H11C 0.9500 . ? 
C116 C117 1.365(12) . ? 
C116 H116 0.9500 . ? 
C117 C118 1.449(13) . ? 
C118 C119 1.359(13) . ? 
C118 H118 0.9500 . ? 
C119 C120 1.414(12) . ? 
C119 H119 0.9500 . ? 
C120 H120 0.9500 . ? 
C121 C122 1.399(10) . ? 
C121 C126 1.428(11) . ? 
C121 C121 1.489(14) 2_756 ? 
C122 C123 1.402(10) . ? 
C123 C124 1.370(12) . ? 
C123 H123 0.9500 . ? 
C124 C125 1.401(13) . ? 
C124 H124 0.9500 . ? 
C125 C130 1.397(14) . ? 
C125 C126 1.436(12) . ? 
C126 C127 1.431(13) . ? 
C127 C128 1.381(14) . ? 
C127 H127 0.9500 . ? 
C128 C129 1.402(15) . ? 
C128 H128 0.9500 . ? 
C129 C130 1.328(16) . ? 
C129 H129 0.9500 . ? 
C130 H130 0.9500 . ? 
C131 C132 1.407(11) . ? 
C131 H13A 0.9500 . ? 
C132 C133 1.385(12) . ? 
C133 C134 1.382(12) . ? 
C133 H133 0.9500 . ? 
C134 C135 1.400(12) . ? 
C134 H134 0.9500 . ? 
C135 H135 0.9500 . ? 
C136 C137 1.479(10) . ? 
C136 H13B 0.9800 . ? 
C136 H13C 0.9800 . ? 
C136 H13D 0.9800 . ? 
C137 C138 1.3900 . ? 
C137 C142 1.3900 . ? 
C138 C139 1.3900 . ? 
C138 H138 0.9500 . ? 
C139 C140 1.3900 . ? 
C139 H139 0.9500 . ? 
C140 C141 1.3900 . ? 
C140 H140 0.9500 . ? 
C141 C142 1.3900 . ? 
C141 H141 0.9500 . ? 
C142 H142 0.9500 . ? 
C143 C144 1.33(2) . ? 
C143 C148 1.399(17) . ? 
C143 H143 0.9500 . ? 
C144 C145 1.37(2) . ? 
C144 H144 0.9500 . ? 
C145 C146 1.47(3) . ? 
C145 H145 0.9500 . ? 
C146 C147 1.38(2) . ? 
C146 H146 0.9500 . ? 
C147 C148 1.376(19) . ? 
C147 H147 0.9500 . ? 
C148 H148 0.9500 . ? 
  
loop_ 
 _geom_angle_atom_site_label_1 
 _geom_angle_atom_site_label_2 
 _geom_angle_atom_site_label_3 
 _geom_angle 
 _geom_angle_site_symmetry_1 
 _geom_angle_site_symmetry_3 
 _geom_angle_publ_flag 
N4 Yb1 N3 152.6(2) . . ? 
N4 Yb1 N1 87.2(2) . . ? 
N3 Yb1 N1 70.0(2) . . ? 
N4 Yb1 N2 70.2(2) . . ? 
N3 Yb1 N2 87.0(2) . . ? 
N1 Yb1 N2 68.4(2) . . ? 
N4 Yb1 C53 110.5(2) . . ? 
N3 Yb1 C53 77.9(2) . . ? 
N1 Yb1 C53 73.1(2) . . ? 
N2 Yb1 C53 141.4(2) . . ? 
N4 Yb1 C85 121.3(3) . . ? 
N3 Yb1 C85 77.3(2) . . ? 
N1 Yb1 C85 146.2(2) . . ? 
N2 Yb1 C85 102.3(2) . . ? 
C53 Yb1 C85 108.5(2) . . ? 
N4 Yb1 N11 103.0(2) . . ? 
N3 Yb1 N11 101.3(2) . . ? 
N1 Yb1 N11 168.8(2) . . ? 
N2 Yb1 N11 119.2(2) . . ? 
C53 Yb1 N11 98.6(2) . . ? 
C85 Yb1 N11 28.7(2) . . ? 
N4 Yb1 C84 104.7(3) . . ? 
N3 Yb1 C84 82.5(3) . . ? 
N1 Yb1 C84 134.0(2) . . ? 
N2 Yb1 C84 74.3(2) . . ? 
C53 Yb1 C84 136.7(2) . . ? 
C85 Yb1 C84 28.8(2) . . ? 
N11 Yb1 C84 48.2(2) . . ? 
N4 Yb1 C54 81.6(3) . . ? 
N3 Yb1 C54 105.7(2) . . ? 
N1 Yb1 C54 75.0(2) . . ? 
N2 Yb1 C54 134.2(2) . . ? 
C53 Yb1 C54 29.2(2) . . ? 
C85 Yb1 C54 123.3(2) . . ? 
N11 Yb1 C54 101.6(2) . . ? 
C84 Yb1 C54 149.8(2) . . ? 
N4 Yb1 C82 76.6(2) . . ? 
N3 Yb1 C82 123.4(2) . . ? 
N1 Yb1 C82 162.4(2) . . ? 
N2 Yb1 C82 99.3(2) . . ? 
C53 Yb1 C82 118.8(2) . . ? 
C85 Yb1 C82 46.3(2) . . ? 
N11 Yb1 C82 28.75(19) . . ? 
C84 Yb1 C82 47.1(2) . . ? 
C54 Yb1 C82 108.6(2) . . ? 
N4 Yb1 C83 76.7(2) . . ? 
N3 Yb1 C83 111.4(2) . . ? 
N1 Yb1 C83 140.6(2) . . ? 
N2 Yb1 C83 72.4(2) . . ? 
C53 Yb1 C83 146.2(2) . . ? 
C85 Yb1 C83 47.4(2) . . ? 
N11 Yb1 C83 48.3(2) . . ? 
C84 Yb1 C83 29.3(2) . . ? 
C54 Yb1 C83 135.6(2) . . ? 
C82 Yb1 C83 28.6(2) . . ? 
N4 Yb1 C52 121.1(2) . . ? 
N3 Yb1 C52 79.1(2) . . ? 
N1 Yb1 C52 100.4(2) . . ? 
N2 Yb1 C52 164.6(2) . . ? 
C53 Yb1 C52 28.6(2) . . ? 
C85 Yb1 C52 81.1(2) . . ? 
N11 Yb1 C52 70.5(2) . . ? 
C84 Yb1 C52 109.9(2) . . ? 
C54 Yb1 C52 46.2(2) . . ? 
C82 Yb1 C52 93.9(2) . . ? 
C83 Yb1 C52 118.8(2) . . ? 
N12 Yb2 N8 144.1(2) . . ? 
N12 Yb2 N7 78.3(2) . . ? 
N8 Yb2 N7 136.3(2) . . ? 
N12 Yb2 N11 139.1(2) . . ? 
N8 Yb2 N11 74.6(2) . . ? 
N7 Yb2 N11 69.9(2) . . ? 
N12 Yb2 N6 83.3(2) . . ? 
N8 Yb2 N6 69.3(2) . . ? 
N7 Yb2 N6 123.6(2) . . ? 
N11 Yb2 N6 135.9(2) . . ? 
N12 Yb2 N10 70.3(2) . . ? 
N8 Yb2 N10 81.7(2) . . ? 
N7 Yb2 N10 138.7(2) . . ? 
N11 Yb2 N10 120.1(2) . . ? 
N6 Yb2 N10 79.1(2) . . ? 
N12 Yb2 N9 85.6(2) . . ? 
N8 Yb2 N9 105.2(2) . . ? 
N7 Yb2 N9 83.1(2) . . ? 
N11 Yb2 N9 66.1(2) . . ? 
N6 Yb2 N9 147.78(19) . . ? 
N10 Yb2 N9 68.68(19) . . ? 
N12 Yb2 N5 104.7(2) . . ? 
N8 Yb2 N5 86.6(2) . . ? 
N7 Yb2 N5 66.1(2) . . ? 
N11 Yb2 N5 85.5(2) . . ? 
N6 Yb2 N5 68.13(19) . . ? 
N10 Yb2 N5 147.23(19) . . ? 
N9 Yb2 N5 144.08(19) . . ? 
N16 Yb3 N16 76.8(3) 2_756 . ? 
N16 Yb3 N15 151.3(2) 2_756 2_756 ? 
N16 Yb3 N15 114.6(2) . 2_756 ? 
N16 Yb3 N15 114.6(2) 2_756 . ? 
N16 Yb3 N15 151.3(2) . . ? 
N15 Yb3 N15 68.8(3) 2_756 . ? 
N16 Yb3 N14 69.8(2) 2_756 2_756 ? 
N16 Yb3 N14 82.8(2) . 2_756 ? 
N15 Yb3 N14 135.4(2) 2_756 2_756 ? 
N15 Yb3 N14 77.5(2) . 2_756 ? 
N16 Yb3 N14 82.8(2) 2_756 . ? 
N16 Yb3 N14 69.8(2) . . ? 
N15 Yb3 N14 77.5(2) 2_756 . ? 
N15 Yb3 N14 135.4(2) . . ? 
N14 Yb3 N14 145.1(3) 2_756 . ? 
N16 Yb3 N13 78.4(2) 2_756 . ? 
N16 Yb3 N13 141.5(2) . . ? 
N15 Yb3 N13 77.4(2) 2_756 . ? 
N15 Yb3 N13 66.8(2) . . ? 
N14 Yb3 N13 115.16(19) 2_756 . ? 
N14 Yb3 N13 78.3(2) . . ? 
N16 Yb3 N13 141.5(2) 2_756 2_756 ? 
N16 Yb3 N13 78.4(2) . 2_756 ? 
N15 Yb3 N13 66.8(2) 2_756 2_756 ? 
N15 Yb3 N13 77.40(19) . 2_756 ? 
N14 Yb3 N13 78.3(2) 2_756 2_756 ? 
N14 Yb3 N13 115.16(19) . 2_756 ? 
N13 Yb3 N13 136.5(3) . 2_756 ? 
N16 Yb3 C117 22.9(2) 2_756 2_756 ? 
N16 Yb3 C117 75.0(2) . 2_756 ? 
N15 Yb3 C117 169.6(2) 2_756 2_756 ? 
N15 Yb3 C117 105.0(2) . 2_756 ? 
N14 Yb3 C117 46.9(2) 2_756 2_756 ? 
N14 Yb3 C117 103.3(2) . 2_756 ? 
N13 Yb3 C117 92.6(2) . 2_756 ? 
N13 Yb3 C117 120.9(2) 2_756 2_756 ? 
N18 Yb4 N18 156.8(3) . 2_756 ? 
N18 Yb4 N17 70.9(2) . . ? 
N18 Yb4 N17 89.7(2) 2_756 . ? 
N18 Yb4 N17 89.7(2) . 2_756 ? 
N18 Yb4 N17 70.9(2) 2_756 2_756 ? 
N17 Yb4 N17 68.0(3) . 2_756 ? 
N18 Yb4 C114 102.3(2) . 2_756 ? 
N18 Yb4 C114 83.4(2) 2_756 2_756 ? 
N17 Yb4 C114 73.6(2) . 2_756 ? 
N17 Yb4 C114 133.2(2) 2_756 2_756 ? 
N18 Yb4 C114 83.4(2) . . ? 
N18 Yb4 C114 102.3(2) 2_756 . ? 
N17 Yb4 C114 133.2(2) . . ? 
N17 Yb4 C114 73.6(2) 2_756 . ? 
C114 Yb4 C114 152.0(3) 2_756 . ? 
N18 Yb4 C113 74.3(2) . 2_756 ? 
N18 Yb4 C113 113.0(2) 2_756 2_756 ? 
N17 Yb4 C113 73.6(2) . 2_756 ? 
N17 Yb4 C113 141.4(2) 2_756 2_756 ? 
C114 Yb4 C113 29.7(2) 2_756 2_756 ? 
C114 Yb4 C113 136.3(2) . 2_756 ? 
N18 Yb4 C113 113.0(2) . . ? 
N18 Yb4 C113 74.3(2) 2_756 . ? 
N17 Yb4 C113 141.4(2) . . ? 
N17 Yb4 C113 73.6(2) 2_756 . ? 
C114 Yb4 C113 136.3(2) 2_756 . ? 
C114 Yb4 C113 29.7(2) . . ? 
C113 Yb4 C113 145.0(3) 2_756 . ? 
N18 Yb4 C115 76.3(2) . . ? 
N18 Yb4 C115 119.1(2) 2_756 . ? 
N17 Yb4 C115 145.4(2) . . ? 
N17 Yb4 C115 101.8(2) 2_756 . ? 
C114 Yb4 C115 125.0(2) 2_756 . ? 
C114 Yb4 C115 29.1(2) . . ? 
C113 Yb4 C115 107.9(2) 2_756 . ? 
C113 Yb4 C115 47.2(2) . . ? 
N18 Yb4 C115 119.1(2) . 2_756 ? 
N18 Yb4 C115 76.3(2) 2_756 2_756 ? 
N17 Yb4 C115 101.8(2) . 2_756 ? 
N17 Yb4 C115 145.4(2) 2_756 2_756 ? 
C114 Yb4 C115 29.1(2) 2_756 2_756 ? 
C114 Yb4 C115 125.0(2) . 2_756 ? 
C113 Yb4 C115 47.2(2) 2_756 2_756 ? 
C113 Yb4 C115 107.9(2) . 2_756 ? 
C115 Yb4 C115 103.4(3) . 2_756 ? 
N18 Yb4 C112 75.7(2) . 2_756 ? 
N18 Yb4 C112 121.9(2) 2_756 2_756 ? 
N17 Yb4 C112 101.2(2) . 2_756 ? 
N17 Yb4 C112 164.3(2) 2_756 2_756 ? 
C114 Yb4 C112 47.7(2) 2_756 2_756 ? 
C114 Yb4 C112 109.6(2) . 2_756 ? 
C113 Yb4 C112 28.9(2) 2_756 2_756 ? 
C113 Yb4 C112 117.1(2) . 2_756 ? 
C115 Yb4 C112 80.5(2) . 2_756 ? 
C115 Yb4 C112 45.6(2) 2_756 2_756 ? 
N18 Yb4 C112 121.9(2) . . ? 
N18 Yb4 C112 75.7(2) 2_756 . ? 
N17 Yb4 C112 164.3(2) . . ? 
N17 Yb4 C112 101.2(2) 2_756 . ? 
C114 Yb4 C112 109.6(2) 2_756 . ? 
C114 Yb4 C112 47.7(2) . . ? 
C113 Yb4 C112 117.1(2) 2_756 . ? 
C113 Yb4 C112 28.9(2) . . ? 
C115 Yb4 C112 45.6(2) . . ? 
C115 Yb4 C112 80.5(2) 2_756 . ? 
C112 Yb4 C112 91.4(3) 2_756 . ? 
C21 N1 C2 116.2(7) . . ? 
C21 N1 Yb1 114.3(5) . . ? 
C2 N1 Yb1 123.5(5) . . ? 
C26 N2 C12 118.4(7) . . ? 
C26 N2 Yb1 112.8(5) . . ? 
C12 N2 Yb1 123.9(5) . . ? 
C25 N3 C22 104.7(7) . . ? 
C25 N3 Yb1 140.0(5) . . ? 
C22 N3 Yb1 114.9(5) . . ? 
C30 N4 C27 104.7(7) . . ? 
C30 N4 Yb1 138.7(6) . . ? 
C27 N4 Yb1 115.5(5) . . ? 
C51 N5 C32 117.4(7) . . ? 
C51 N5 Yb2 112.5(5) . . ? 
C32 N5 Yb2 128.5(5) . . ? 
C56 N6 C42 120.8(6) . . ? 
C56 N6 Yb2 114.1(5) . . ? 
C42 N6 Yb2 121.8(4) . . ? 
C55 N7 C52 105.7(7) . . ? 
C55 N7 Yb2 134.7(6) . . ? 
C52 N7 Yb2 119.1(5) . . ? 
C55 N7 Yb1 73.9(4) . . ? 
C52 N7 Yb1 71.3(4) . . ? 
Yb2 N7 Yb1 112.8(3) . . ? 
C60 N8 C57 105.0(6) . . ? 
C60 N8 Yb2 138.3(5) . . ? 
C57 N8 Yb2 116.3(5) . . ? 
C81 N9 C62 117.8(7) . . ? 
C81 N9 Yb2 115.4(5) . . ? 
C62 N9 Yb2 126.8(4) . . ? 
C86 N10 C72 118.1(7) . . ? 
C86 N10 Yb2 113.7(5) . . ? 
C72 N10 Yb2 122.2(5) . . ? 
C85 N11 C82 105.0(7) . . ? 
C85 N11 Yb2 134.0(5) . . ? 
C82 N11 Yb2 120.2(5) . . ? 
C85 N11 Yb1 75.7(4) . . ? 
C82 N11 Yb1 76.4(4) . . ? 
Yb2 N11 Yb1 120.8(3) . . ? 
C90 N12 C87 105.2(7) . . ? 
C90 N12 Yb2 139.3(6) . . ? 
C87 N12 Yb2 115.5(5) . . ? 
C111 N13 C92 117.9(6) . . ? 
C111 N13 Yb3 116.5(5) . . ? 
C92 N13 Yb3 122.8(5) . . ? 
C116 N14 C102 117.3(7) . . ? 
C116 N14 Yb3 112.2(6) . . ? 
C102 N14 Yb3 127.0(5) . . ? 
C112 N15 C115 106.5(6) . . ? 
C112 N15 Yb3 115.9(4) . . ? 
C115 N15 Yb3 137.6(5) . . ? 
C112 N15 Yb4 73.7(4) . . ? 
C115 N15 Yb4 72.9(4) . . ? 
Yb3 N15 Yb4 116.98(19) . . ? 
C120 N16 C117 106.8(7) . . ? 
C120 N16 Yb3 137.9(5) . . ? 
C117 N16 Yb3 114.5(6) . . ? 
C131 N17 C122 117.2(7) . . ? 
C131 N17 Yb4 113.1(5) . . ? 
C122 N17 Yb4 125.7(5) . . ? 
C135 N18 C132 103.8(6) . . ? 
C135 N18 Yb4 139.6(5) . . ? 
C132 N18 Yb4 113.9(5) . . ? 
C2 C1 C6 118.5(7) . . ? 
C2 C1 C11 120.0(7) . . ? 
C6 C1 C11 121.1(7) . . ? 
C3 C2 C1 120.8(7) . . ? 
C3 C2 N1 122.0(7) . . ? 
C1 C2 N1 116.8(7) . . ? 
C4 C3 C2 121.3(8) . . ? 
C4 C3 H3 119.4 . . ? 
C2 C3 H3 119.4 . . ? 
C3 C4 C5 120.6(8) . . ? 
C3 C4 H4 119.7 . . ? 
C5 C4 H4 119.7 . . ? 
C4 C5 C6 119.9(7) . . ? 
C4 C5 C10 120.6(8) . . ? 
C6 C5 C10 119.3(8) . . ? 
C7 C6 C5 118.9(7) . . ? 
C7 C6 C1 122.3(8) . . ? 
C5 C6 C1 118.8(7) . . ? 
C8 C7 C6 122.0(9) . . ? 
C8 C7 H7 119.0 . . ? 
C6 C7 H7 119.0 . . ? 
C7 C8 C9 118.5(9) . . ? 
C7 C8 H8 120.7 . . ? 
C9 C8 H8 120.7 . . ? 
C10 C9 C8 122.2(9) . . ? 
C10 C9 H9 118.9 . . ? 
C8 C9 H9 118.9 . . ? 
C9 C10 C5 119.1(9) . . ? 
C9 C10 H10 120.4 . . ? 
C5 C10 H10 120.4 . . ? 
C12 C11 C16 119.2(8) . . ? 
C12 C11 C1 118.2(8) . . ? 
C16 C11 C1 122.5(8) . . ? 
C11 C12 N2 119.0(7) . . ? 
C11 C12 C13 120.2(8) . . ? 
N2 C12 C13 120.8(7) . . ? 
C14 C13 C12 120.2(9) . . ? 
C14 C13 H13 119.9 . . ? 
C12 C13 H13 119.9 . . ? 
C13 C14 C15 122.0(9) . . ? 
C13 C14 H14 119.0 . . ? 
C15 C14 H14 119.0 . . ? 
C20 C15 C16 119.2(9) . . ? 
C20 C15 C14 122.0(9) . . ? 
C16 C15 C14 118.7(8) . . ? 
C15 C16 C17 118.5(8) . . ? 
C15 C16 C11 119.5(8) . . ? 
C17 C16 C11 122.1(8) . . ? 
C18 C17 C16 120.4(9) . . ? 
C18 C17 H17 119.8 . . ? 
C16 C17 H17 119.8 . . ? 
C17 C18 C19 121.4(9) . . ? 
C17 C18 H18 119.3 . . ? 
C19 C18 H18 119.3 . . ? 
C20 C19 C18 118.0(9) . . ? 
C20 C19 H19 121.0 . . ? 
C18 C19 H19 121.0 . . ? 
C19 C20 C15 122.4(10) . . ? 
C19 C20 H20 118.8 . . ? 
C15 C20 H20 118.8 . . ? 
N1 C21 C22 122.2(7) . . ? 
N1 C21 H21A 118.9 . . ? 
C22 C21 H21A 118.9 . . ? 
C23 C22 N3 110.0(8) . . ? 
C23 C22 C21 132.0(8) . . ? 
N3 C22 C21 117.3(7) . . ? 
C22 C23 C24 106.4(8) . . ? 
C22 C23 H23 126.8 . . ? 
C24 C23 H23 126.8 . . ? 
C25 C24 C23 107.6(8) . . ? 
C25 C24 H24 126.2 . . ? 
C23 C24 H24 126.2 . . ? 
N3 C25 C24 111.3(8) . . ? 
N3 C25 H25 124.3 . . ? 
C24 C25 H25 124.3 . . ? 
N2 C26 C27 122.1(7) . . ? 
N2 C26 H26A 119.0 . . ? 
C27 C26 H26A 119.0 . . ? 
N4 C27 C28 113.2(8) . . ? 
N4 C27 C26 117.5(7) . . ? 
C28 C27 C26 128.9(8) . . ? 
C29 C28 C27 104.5(8) . . ? 
C29 C28 H28 127.8 . . ? 
C27 C28 H28 127.8 . . ? 
C28 C29 C30 107.6(8) . . ? 
C28 C29 H29 126.2 . . ? 
C30 C29 H29 126.2 . . ? 
N4 C30 C29 110.0(8) . . ? 
N4 C30 H30 125.0 . . ? 
C29 C30 H30 125.0 . . ? 
C32 C31 C36 118.5(7) . . ? 
C32 C31 C41 122.6(7) . . ? 
C36 C31 C41 119.0(6) . . ? 
C31 C32 C33 121.4(7) . . ? 
C31 C32 N5 121.7(7) . . ? 
C33 C32 N5 116.9(7) . . ? 
C34 C33 C32 120.2(7) . . ? 
C34 C33 H33 119.9 . . ? 
C32 C33 H33 119.9 . . ? 
C33 C34 C35 120.2(7) . . ? 
C33 C34 H34 119.9 . . ? 
C35 C34 H34 119.9 . . ? 
C34 C35 C36 119.9(7) . . ? 
C34 C35 C40 121.6(8) . . ? 
C36 C35 C40 118.3(7) . . ? 
C35 C36 C37 118.6(7) . . ? 
C35 C36 C31 119.4(6) . . ? 
C37 C36 C31 122.0(7) . . ? 
C38 C37 C36 120.9(8) . . ? 
C38 C37 H37 119.5 . . ? 
C36 C37 H37 119.5 . . ? 
C37 C38 C39 120.3(7) . . ? 
C37 C38 H38 119.9 . . ? 
C39 C38 H38 119.9 . . ? 
C40 C39 C38 121.2(9) . . ? 
C40 C39 H39 119.4 . . ? 
C38 C39 H39 119.4 . . ? 
C39 C40 C35 120.5(9) . . ? 
C39 C40 H40 119.8 . . ? 
C35 C40 H40 119.8 . . ? 
C42 C41 C46 117.0(7) . . ? 
C42 C41 C31 120.8(7) . . ? 
C46 C41 C31 122.2(7) . . ? 
C41 C42 C43 122.8(7) . . ? 
C41 C42 N6 117.5(7) . . ? 
C43 C42 N6 119.6(7) . . ? 
C44 C43 C42 119.2(8) . . ? 
C44 C43 H43 120.4 . . ? 
C42 C43 H43 120.4 . . ? 
C43 C44 C45 121.9(8) . . ? 
C43 C44 H44 119.0 . . ? 
C45 C44 H44 119.0 . . ? 
C50 C45 C44 121.1(8) . . ? 
C50 C45 C46 120.4(8) . . ? 
C44 C45 C46 118.5(7) . . ? 
C45 C46 C47 117.4(8) . . ? 
C45 C46 C41 120.4(8) . . ? 
C47 C46 C41 122.2(8) . . ? 
C48 C47 C46 121.4(8) . . ? 
C48 C47 H47 119.3 . . ? 
C46 C47 H47 119.3 . . ? 
C49 C48 C47 118.7(9) . . ? 
C49 C48 H48 120.6 . . ? 
C47 C48 H48 120.6 . . ? 
C50 C49 C48 121.5(8) . . ? 
C50 C49 H49 119.2 . . ? 
C48 C49 H49 119.2 . . ? 
C49 C50 C45 120.4(9) . . ? 
C49 C50 H50 119.8 . . ? 
C45 C50 H50 119.8 . . ? 
N5 C51 C52 121.2(7) . . ? 
N5 C51 H51 119.4 . . ? 
C52 C51 H51 119.4 . . ? 
N7 C52 C53 111.2(7) . . ? 
N7 C52 C51 118.7(6) . . ? 
C53 C52 C51 129.9(7) . . ? 
N7 C52 Yb1 81.7(4) . . ? 
C53 C52 Yb1 70.9(4) . . ? 
C51 C52 Yb1 119.5(5) . . ? 
C54 C53 C52 105.5(7) . . ? 
C54 C53 Yb1 76.2(5) . . ? 
C52 C53 Yb1 80.6(5) . . ? 
C54 C53 H53A 127.3 . . ? 
C52 C53 H53A 127.3 . . ? 
Yb1 C53 H53A 109.4 . . ? 
C53 C54 C55 107.4(7) . . ? 
C53 C54 Yb1 74.6(5) . . ? 
C55 C54 Yb1 82.3(5) . . ? 
C53 C54 H54A 126.3 . . ? 
C55 C54 H54A 126.3 . . ? 
Yb1 C54 H54A 109.7 . . ? 
N7 C55 C54 110.2(8) . . ? 
N7 C55 Yb1 79.6(5) . . ? 
C54 C55 Yb1 69.5(5) . . ? 
N7 C55 H55A 124.9 . . ? 
C54 C55 H55A 124.9 . . ? 
Yb1 C55 H55A 117.6 . . ? 
N6 C56 C57 122.9(7) . . ? 
N6 C56 H56A 118.5 . . ? 
C57 C56 H56A 118.5 . . ? 
N8 C57 C58 111.2(7) . . ? 
N8 C57 C56 116.6(7) . . ? 
C58 C57 C56 131.9(7) . . ? 
C57 C58 C59 105.9(7) . . ? 
C57 C58 H58 127.1 . . ? 
C59 C58 H58 127.1 . . ? 
C60 C59 C58 106.0(7) . . ? 
C60 C59 H59 127.0 . . ? 
C58 C59 H59 127.0 . . ? 
N8 C60 C59 111.8(7) . . ? 
N8 C60 H60 124.1 . . ? 
C59 C60 H60 124.1 . . ? 
C62 C61 C66 118.1(7) . . ? 
C62 C61 C71 120.6(7) . . ? 
C66 C61 C71 121.4(7) . . ? 
C61 C62 C63 121.7(7) . . ? 
C61 C62 N9 120.4(7) . . ? 
C63 C62 N9 117.8(7) . . ? 
C64 C63 C62 120.1(8) . . ? 
C64 C63 H63 119.9 . . ? 
C62 C63 H63 119.9 . . ? 
C63 C64 C65 119.5(8) . . ? 
C63 C64 H64 120.2 . . ? 
C65 C64 H64 120.2 . . ? 
C66 C65 C70 118.9(7) . . ? 
C66 C65 C64 119.9(8) . . ? 
C70 C65 C64 121.1(9) . . ? 
C65 C66 C67 119.9(8) . . ? 
C65 C66 C61 120.4(8) . . ? 
C67 C66 C61 119.5(7) . . ? 
C68 C67 C66 119.9(8) . . ? 
C68 C67 H67 120.1 . . ? 
C66 C67 H67 120.1 . . ? 
C67 C68 C69 119.4(7) . . ? 
C67 C68 H68 120.3 . . ? 
C69 C68 H68 120.3 . . ? 
C70 C69 C68 121.1(8) . . ? 
C70 C69 H69 119.5 . . ? 
C68 C69 H69 119.5 . . ? 
C69 C70 C65 120.8(9) . . ? 
C69 C70 H70 119.6 . . ? 
C65 C70 H70 119.6 . . ? 
C72 C71 C76 118.4(7) . . ? 
C72 C71 C61 119.7(7) . . ? 
C76 C71 C61 121.9(7) . . ? 
C71 C72 C73 121.6(7) . . ? 
C71 C72 N10 119.4(7) . . ? 
C73 C72 N10 118.9(7) . . ? 
C74 C73 C72 119.9(8) . . ? 
C74 C73 H73 120.0 . . ? 
C72 C73 H73 120.0 . . ? 
C73 C74 C75 121.6(7) . . ? 
C73 C74 H74 119.2 . . ? 
C75 C74 H74 119.2 . . ? 
C80 C75 C76 122.3(8) . . ? 
C80 C75 C74 121.0(7) . . ? 
C76 C75 C74 116.7(7) . . ? 
C75 C76 C71 121.7(7) . . ? 
C75 C76 C77 115.9(7) . . ? 
C71 C76 C77 122.4(7) . . ? 
C78 C77 C76 121.5(8) . . ? 
C78 C77 H77 119.2 . . ? 
C76 C77 H77 119.2 . . ? 
C77 C78 C79 120.7(9) . . ? 
C77 C78 H78 119.6 . . ? 
C79 C78 H78 119.6 . . ? 
C80 C79 C78 120.8(8) . . ? 
C80 C79 H79 119.6 . . ? 
C78 C79 H79 119.6 . . ? 
C79 C80 C75 118.7(8) . . ? 
C79 C80 H80 120.7 . . ? 
C75 C80 H80 120.7 . . ? 
N9 C81 C82 119.8(7) . . ? 
N9 C81 H81 120.1 . . ? 
C82 C81 H81 120.1 . . ? 
N11 C82 C83 111.5(7) . . ? 
N11 C82 C81 118.5(7) . . ? 
C83 C82 C81 129.7(7) . . ? 
N11 C82 Yb1 74.9(4) . . ? 
C83 C82 Yb1 76.7(5) . . ? 
C81 C82 Yb1 120.3(5) . . ? 
C82 C83 C84 105.4(7) . . ? 
C82 C83 Yb1 74.7(4) . . ? 
C84 C83 Yb1 73.9(5) . . ? 
C82 C83 H83A 127.3 . . ? 
C84 C83 H83A 127.3 . . ? 
Yb1 C83 H83A 116.5 . . ? 
C85 C84 C83 107.0(7) . . ? 
C85 C84 Yb1 75.4(5) . . ? 
C83 C84 Yb1 76.9(5) . . ? 
C85 C84 H84A 126.5 . . ? 
C83 C84 H84A 126.5 . . ? 
Yb1 C84 H84A 113.8 . . ? 
N11 C85 C84 111.0(7) . . ? 
N11 C85 Yb1 75.7(4) . . ? 
C84 C85 Yb1 75.8(5) . . ? 
N11 C85 H85A 124.5 . . ? 
C84 C85 H85A 124.5 . . ? 
Yb1 C85 H85A 115.8 . . ? 
N10 C86 C87 121.3(7) . . ? 
N10 C86 H86A 119.3 . . ? 
C87 C86 H86A 119.3 . . ? 
N12 C87 C88 109.5(8) . . ? 
N12 C87 C86 118.9(7) . . ? 
C88 C87 C86 131.5(8) . . ? 
C89 C88 C87 107.6(8) . . ? 
C89 C88 H88 126.2 . . ? 
C87 C88 H88 126.2 . . ? 
C88 C89 C90 106.0(8) . . ? 
C88 C89 H89 127.0 . . ? 
C90 C89 H89 127.0 . . ? 
N12 C90 C89 111.7(8) . . ? 
N12 C90 H90 124.2 . . ? 
C89 C90 H90 124.2 . . ? 
C92 C91 C96 117.7(7) . . ? 
C92 C91 C101 122.4(7) . . ? 
C96 C91 C101 119.9(7) . . ? 
C91 C92 C93 121.1(7) . . ? 
C91 C92 N13 120.4(7) . . ? 
C93 C92 N13 118.2(6) . . ? 
C94 C93 C92 119.8(7) . . ? 
C94 C93 H93 120.1 . . ? 
C92 C93 H93 120.1 . . ? 
C93 C94 C95 122.1(8) . . ? 
C93 C94 H94 118.9 . . ? 
C95 C94 H94 118.9 . . ? 
C94 C95 C100 122.5(8) . . ? 
C94 C95 C96 118.5(8) . . ? 
C100 C95 C96 118.9(8) . . ? 
C97 C96 C91 120.0(8) . . ? 
C97 C96 C95 119.5(8) . . ? 
C91 C96 C95 120.4(7) . . ? 
C96 C97 C98 119.1(8) . . ? 
C96 C97 H97 120.4 . . ? 
C98 C97 H97 120.4 . . ? 
C99 C98 C97 119.9(9) . . ? 
C99 C98 H98 120.1 . . ? 
C97 C98 H98 120.1 . . ? 
C98 C99 C100 121.5(9) . . ? 
C98 C99 H99 119.2 . . ? 
C100 C99 H99 119.2 . . ? 
C99 C100 C95 120.9(8) . . ? 
C99 C100 H100 119.6 . . ? 
C95 C100 H100 119.6 . . ? 
C102 C101 C106 119.7(7) . . ? 
C102 C101 C91 121.3(8) . . ? 
C106 C101 C91 118.6(7) . . ? 
C101 C102 N14 120.8(7) . . ? 
C101 C102 C103 119.7(8) . . ? 
N14 C102 C103 119.2(8) . . ? 
C104 C103 C102 122.0(9) . . ? 
C104 C103 H103 119.0 . . ? 
C102 C103 H103 119.0 . . ? 
C103 C104 C105 120.8(8) . . ? 
C103 C104 H104 119.6 . . ? 
C105 C104 H104 119.6 . . ? 
C104 C105 C110 123.5(8) . . ? 
C104 C105 C106 118.9(8) . . ? 
C110 C105 C106 117.6(8) . . ? 
C107 C106 C101 121.8(7) . . ? 
C107 C106 C105 119.6(8) . . ? 
C101 C106 C105 118.6(8) . . ? 
C108 C107 C106 119.8(8) . . ? 
C108 C107 H107 120.1 . . ? 
C106 C107 H107 120.1 . . ? 
C107 C108 C109 121.5(9) . . ? 
C107 C108 H108 119.3 . . ? 
C109 C108 H108 119.3 . . ? 
C110 C109 C108 119.9(9) . . ? 
C110 C109 H109 120.1 . . ? 
C108 C109 H109 120.1 . . ? 
C109 C110 C105 121.6(9) . . ? 
C109 C110 H110 119.2 . . ? 
C105 C110 H110 119.2 . . ? 
N13 C111 C112 121.2(7) . . ? 
N13 C111 H111 119.4 . . ? 
C112 C111 H111 119.4 . . ? 
N15 C112 C113 110.3(6) . . ? 
N15 C112 C111 119.2(6) . . ? 
C113 C112 C111 130.4(7) . . ? 
N15 C112 Yb4 78.8(4) . . ? 
C113 C112 Yb4 73.1(4) . . ? 
C111 C112 Yb4 118.9(5) . . ? 
C112 C113 C114 106.6(7) . . ? 
C112 C113 Yb4 78.1(4) . . ? 
C114 C113 Yb4 73.6(4) . . ? 
C112 C113 H11A 126.7 . . ? 
C114 C113 H11A 126.7 . . ? 
Yb4 C113 H11A 114.2 . . ? 
C115 C114 C113 105.6(7) . . ? 
C115 C114 Yb4 78.8(4) . . ? 
C113 C114 Yb4 76.7(4) . . ? 
C115 C114 H11B 127.2 . . ? 
C113 C114 H11B 127.2 . . ? 
Yb4 C114 H11B 110.6 . . ? 
N15 C115 C114 111.0(7) . . ? 
N15 C115 Yb4 79.5(4) . . ? 
C114 C115 Yb4 72.1(4) . . ? 
N15 C115 H11C 124.5 . . ? 
C114 C115 H11C 124.5 . . ? 
Yb4 C115 H11C 115.6 . . ? 
N14 C116 C117 121.9(8) . . ? 
N14 C116 H116 119.0 . . ? 
C117 C116 H116 119.0 . . ? 
N16 C117 C116 121.0(8) . . ? 
N16 C117 C118 109.3(8) . . ? 
C116 C117 C118 129.6(8) . . ? 
C119 C118 C117 105.8(8) . . ? 
C119 C118 H118 127.1 . . ? 
C117 C118 H118 127.1 . . ? 
C118 C119 C120 107.5(8) . . ? 
C118 C119 H119 126.2 . . ? 
C120 C119 H119 126.2 . . ? 
N16 C120 C119 110.5(8) . . ? 
N16 C120 H120 124.8 . . ? 
C119 C120 H120 124.8 . . ? 
C122 C121 C126 119.1(7) . . ? 
C122 C121 C121 119.7(6) . 2_756 ? 
C126 C121 C121 121.1(6) . 2_756 ? 
C121 C122 C123 120.8(7) . . ? 
C121 C122 N17 117.7(6) . . ? 
C123 C122 N17 121.4(7) . . ? 
C124 C123 C122 120.4(8) . . ? 
C124 C123 H123 119.8 . . ? 
C122 C123 H123 119.8 . . ? 
C123 C124 C125 121.3(8) . . ? 
C123 C124 H124 119.4 . . ? 
C125 C124 H124 119.4 . . ? 
C130 C125 C124 124.0(10) . . ? 
C130 C125 C126 116.6(10) . . ? 
C124 C125 C126 119.2(8) . . ? 
C121 C126 C127 121.1(8) . . ? 
C121 C126 C125 119.0(8) . . ? 
C127 C126 C125 119.8(9) . . ? 
C128 C127 C126 118.1(11) . . ? 
C128 C127 H127 120.9 . . ? 
C126 C127 H127 120.9 . . ? 
C127 C128 C129 121.9(11) . . ? 
C127 C128 H128 119.0 . . ? 
C129 C128 H128 119.0 . . ? 
C130 C129 C128 118.8(10) . . ? 
C130 C129 H129 120.6 . . ? 
C128 C129 H129 120.6 . . ? 
C129 C130 C125 124.5(12) . . ? 
C129 C130 H130 117.7 . . ? 
C125 C130 H130 117.7 . . ? 
N17 C131 C132 121.7(8) . . ? 
N17 C131 H13A 119.2 . . ? 
C132 C131 H13A 119.1 . . ? 
C133 C132 N18 111.5(7) . . ? 
C133 C132 C131 130.5(8) . . ? 
N18 C132 C131 118.0(7) . . ? 
C134 C133 C132 106.1(8) . . ? 
C134 C133 H133 126.9 . . ? 
C132 C133 H133 126.9 . . ? 
C133 C134 C135 107.0(8) . . ? 
C133 C134 H134 126.5 . . ? 
C135 C134 H134 126.5 . . ? 
N18 C135 C134 111.5(8) . . ? 
N18 C135 H135 124.3 . . ? 
C134 C135 H135 124.3 . . ? 
C137 C136 H13B 109.5 . . ? 
C137 C136 H13C 109.5 . . ? 
H13B C136 H13C 109.5 . . ? 
C137 C136 H13D 109.5 . . ? 
H13B C136 H13D 109.5 . . ? 
H13C C136 H13D 109.5 . . ? 
C138 C137 C142 120.0 . . ? 
C138 C137 C136 124.0(17) . . ? 
C142 C137 C136 115.8(17) . . ? 
C137 C138 C139 120.0 . . ? 
C137 C138 H138 120.0 . . ? 
C139 C138 H138 120.0 . . ? 
C140 C139 C138 120.0 . . ? 
C140 C139 H139 120.0 . . ? 
C138 C139 H139 120.0 . . ? 
C139 C140 C141 120.0 . . ? 
C139 C140 H140 120.0 . . ? 
C141 C140 H140 120.0 . . ? 
C140 C141 C142 120.0 . . ? 
C140 C141 H141 120.0 . . ? 
C142 C141 H141 120.0 . . ? 
C141 C142 C137 120.0 . . ? 
C141 C142 H142 120.0 . . ? 
C137 C142 H142 120.0 . . ? 
C144 C143 C148 120.8(16) . . ? 
C144 C143 H143 119.6 . . ? 
C148 C143 H143 119.6 . . ? 
C143 C144 C145 123.3(18) . . ? 
C143 C144 H144 118.4 . . ? 
C145 C144 H144 118.4 . . ? 
C144 C145 C146 119(2) . . ? 
C144 C145 H145 120.6 . . ? 
C146 C145 H145 120.6 . . ? 
C147 C146 C145 114(2) . . ? 
C147 C146 H146 122.8 . . ? 
C145 C146 H146 122.8 . . ? 
C148 C147 C146 125.5(17) . . ? 
C148 C147 H147 117.2 . . ? 
C146 C147 H147 117.2 . . ? 
C147 C148 C143 116.8(14) . . ? 
C147 C148 H148 121.6 . . ? 
C143 C148 H148 121.6 . . ? 
  
loop_ 
 _geom_torsion_atom_site_label_1 
 _geom_torsion_atom_site_label_2 
 _geom_torsion_atom_site_label_3 
 _geom_torsion_atom_site_label_4 
 _geom_torsion 
 _geom_torsion_site_symmetry_1 
 _geom_torsion_site_symmetry_2 
 _geom_torsion_site_symmetry_3 
 _geom_torsion_site_symmetry_4 
 _geom_torsion_publ_flag 
N4 Yb1 N1 C21 167.7(6) . . . . ? 
N3 Yb1 N1 C21 3.0(5) . . . . ? 
N2 Yb1 N1 C21 97.9(6) . . . . ? 
C53 Yb1 N1 C21 -79.9(6) . . . . ? 
C85 Yb1 N1 C21 18.3(8) . . . . ? 
N11 Yb1 N1 C21 -36.5(13) . . . . ? 
C84 Yb1 N1 C21 59.9(7) . . . . ? 
C54 Yb1 N1 C21 -110.3(6) . . . . ? 
C82 Yb1 N1 C21 145.1(7) . . . . ? 
C83 Yb1 N1 C21 102.6(6) . . . . ? 
C52 Yb1 N1 C21 -71.2(6) . . . . ? 
N4 Yb1 N1 C2 16.0(6) . . . . ? 
N3 Yb1 N1 C2 -148.7(6) . . . . ? 
N2 Yb1 N1 C2 -53.8(6) . . . . ? 
C53 Yb1 N1 C2 128.4(6) . . . . ? 
C85 Yb1 N1 C2 -133.4(6) . . . . ? 
N11 Yb1 N1 C2 171.8(9) . . . . ? 
C84 Yb1 N1 C2 -91.8(6) . . . . ? 
C54 Yb1 N1 C2 98.1(6) . . . . ? 
C82 Yb1 N1 C2 -6.5(11) . . . . ? 
C83 Yb1 N1 C2 -49.1(7) . . . . ? 
C52 Yb1 N1 C2 137.1(6) . . . . ? 
N4 Yb1 N2 C26 6.3(5) . . . . ? 
N3 Yb1 N2 C26 170.9(5) . . . . ? 
N1 Yb1 N2 C26 101.3(6) . . . . ? 
C53 Yb1 N2 C26 104.7(6) . . . . ? 
C85 Yb1 N2 C26 -112.8(5) . . . . ? 
N11 Yb1 N2 C26 -87.8(5) . . . . ? 
C84 Yb1 N2 C26 -106.1(6) . . . . ? 
C54 Yb1 N2 C26 61.9(6) . . . . ? 
C82 Yb1 N2 C26 -65.7(5) . . . . ? 
C83 Yb1 N2 C26 -75.5(5) . . . . ? 
C52 Yb1 N2 C26 145.8(7) . . . . ? 
N4 Yb1 N2 C12 -148.6(6) . . . . ? 
N3 Yb1 N2 C12 16.0(6) . . . . ? 
N1 Yb1 N2 C12 -53.6(6) . . . . ? 
C53 Yb1 N2 C12 -50.2(7) . . . . ? 
C85 Yb1 N2 C12 92.3(6) . . . . ? 
N11 Yb1 N2 C12 117.3(6) . . . . ? 
C84 Yb1 N2 C12 99.0(6) . . . . ? 
C54 Yb1 N2 C12 -93.0(6) . . . . ? 
C82 Yb1 N2 C12 139.4(6) . . . . ? 
C83 Yb1 N2 C12 129.5(6) . . . . ? 
C52 Yb1 N2 C12 -9.1(11) . . . . ? 
N4 Yb1 N3 C25 144.9(8) . . . . ? 
N1 Yb1 N3 C25 180.0(9) . . . . ? 
N2 Yb1 N3 C25 111.9(8) . . . . ? 
C53 Yb1 N3 C25 -103.8(8) . . . . ? 
C85 Yb1 N3 C25 8.6(8) . . . . ? 
N11 Yb1 N3 C25 -7.3(9) . . . . ? 
C84 Yb1 N3 C25 37.4(8) . . . . ? 
C54 Yb1 N3 C25 -112.8(8) . . . . ? 
C82 Yb1 N3 C25 12.8(9) . . . . ? 
C83 Yb1 N3 C25 42.2(9) . . . . ? 
C52 Yb1 N3 C25 -74.6(8) . . . . ? 
N4 Yb1 N3 C22 -43.6(8) . . . . ? 
N1 Yb1 N3 C22 -8.5(5) . . . . ? 
N2 Yb1 N3 C22 -76.5(5) . . . . ? 
C53 Yb1 N3 C22 67.7(5) . . . . ? 
C85 Yb1 N3 C22 -179.8(6) . . . . ? 
N11 Yb1 N3 C22 164.3(5) . . . . ? 
C84 Yb1 N3 C22 -151.1(6) . . . . ? 
C54 Yb1 N3 C22 58.7(6) . . . . ? 
C82 Yb1 N3 C22 -175.7(5) . . . . ? 
C83 Yb1 N3 C22 -146.3(5) . . . . ? 
C52 Yb1 N3 C22 96.9(6) . . . . ? 
N3 Yb1 N4 C30 147.5(8) . . . . ? 
N1 Yb1 N4 C30 114.8(9) . . . . ? 
N2 Yb1 N4 C30 -177.2(9) . . . . ? 
C53 Yb1 N4 C30 44.0(9) . . . . ? 
C85 Yb1 N4 C30 -84.6(9) . . . . ? 
N11 Yb1 N4 C30 -60.6(9) . . . . ? 
C84 Yb1 N4 C30 -110.3(9) . . . . ? 
C54 Yb1 N4 C30 39.5(9) . . . . ? 
C82 Yb1 N4 C30 -72.1(9) . . . . ? 
C83 Yb1 N4 C30 -101.4(9) . . . . ? 
C52 Yb1 N4 C30 14.4(10) . . . . ? 
N3 Yb1 N4 C27 -46.6(9) . . . . ? 
N1 Yb1 N4 C27 -79.4(6) . . . . ? 
N2 Yb1 N4 C27 -11.4(5) . . . . ? 
C53 Yb1 N4 C27 -150.1(6) . . . . ? 
C85 Yb1 N4 C27 81.2(6) . . . . ? 
N11 Yb1 N4 C27 105.3(6) . . . . ? 
C84 Yb1 N4 C27 55.6(6) . . . . ? 
C54 Yb1 N4 C27 -154.6(6) . . . . ? 
C82 Yb1 N4 C27 93.8(6) . . . . ? 
C83 Yb1 N4 C27 64.4(6) . . . . ? 
C52 Yb1 N4 C27 -179.8(5) . . . . ? 
N12 Yb2 N5 C51 82.6(6) . . . . ? 
N8 Yb2 N5 C51 -132.0(6) . . . . ? 
N7 Yb2 N5 C51 12.9(6) . . . . ? 
N11 Yb2 N5 C51 -57.2(6) . . . . ? 
N6 Yb2 N5 C51 159.0(6) . . . . ? 
N10 Yb2 N5 C51 159.0(5) . . . . ? 
N9 Yb2 N5 C51 -20.5(8) . . . . ? 
N12 Yb2 N5 C32 -112.1(6) . . . . ? 
N8 Yb2 N5 C32 33.3(6) . . . . ? 
N7 Yb2 N5 C32 178.1(7) . . . . ? 
N11 Yb2 N5 C32 108.1(6) . . . . ? 
N6 Yb2 N5 C32 -35.8(6) . . . . ? 
N10 Yb2 N5 C32 -35.7(8) . . . . ? 
N9 Yb2 N5 C32 144.8(6) . . . . ? 
N12 Yb2 N6 C56 -156.8(6) . . . . ? 
N8 Yb2 N6 C56 -0.4(5) . . . . ? 
N7 Yb2 N6 C56 132.1(5) . . . . ? 
N11 Yb2 N6 C56 36.8(7) . . . . ? 
N10 Yb2 N6 C56 -85.6(6) . . . . ? 
N9 Yb2 N6 C56 -86.3(7) . . . . ? 
N5 Yb2 N6 C56 94.4(6) . . . . ? 
N12 Yb2 N6 C42 43.6(5) . . . . ? 
N8 Yb2 N6 C42 -160.0(6) . . . . ? 
N7 Yb2 N6 C42 -27.5(6) . . . . ? 
N11 Yb2 N6 C42 -122.8(5) . . . . ? 
N10 Yb2 N6 C42 114.8(5) . . . . ? 
N9 Yb2 N6 C42 114.1(6) . . . . ? 
N5 Yb2 N6 C42 -65.2(5) . . . . ? 
N12 Yb2 N7 C55 64.8(8) . . . . ? 
N8 Yb2 N7 C55 -126.8(7) . . . . ? 
N11 Yb2 N7 C55 -89.1(8) . . . . ? 
N6 Yb2 N7 C55 138.5(7) . . . . ? 
N10 Yb2 N7 C55 24.1(9) . . . . ? 
N9 Yb2 N7 C55 -22.1(8) . . . . ? 
N5 Yb2 N7 C55 176.9(8) . . . . ? 
N12 Yb2 N7 C52 -124.9(6) . . . . ? 
N8 Yb2 N7 C52 43.4(7) . . . . ? 
N11 Yb2 N7 C52 81.2(6) . . . . ? 
N6 Yb2 N7 C52 -51.3(6) . . . . ? 
N10 Yb2 N7 C52 -165.7(5) . . . . ? 
N9 Yb2 N7 C52 148.2(6) . . . . ? 
N5 Yb2 N7 C52 -12.9(5) . . . . ? 
N12 Yb2 N7 Yb1 154.4(3) . . . . ? 
N8 Yb2 N7 Yb1 -37.2(4) . . . . ? 
N11 Yb2 N7 Yb1 0.5(2) . . . . ? 
N6 Yb2 N7 Yb1 -131.9(2) . . . . ? 
N10 Yb2 N7 Yb1 113.7(3) . . . . ? 
N9 Yb2 N7 Yb1 67.6(2) . . . . ? 
N5 Yb2 N7 Yb1 -93.5(3) . . . . ? 
N4 Yb1 N7 C55 32.4(5) . . . . ? 
N3 Yb1 N7 C55 -134.1(5) . . . . ? 
N1 Yb1 N7 C55 -59.5(5) . . . . ? 
N2 Yb1 N7 C55 60.1(11) . . . . ? 
C53 Yb1 N7 C55 -76.9(5) . . . . ? 
C85 Yb1 N7 C55 152.5(5) . . . . ? 
N11 Yb1 N7 C55 131.7(5) . . . . ? 
C84 Yb1 N7 C55 140.2(5) . . . . ? 
C54 Yb1 N7 C55 -36.0(5) . . . . ? 
C82 Yb1 N7 C55 104.9(5) . . . . ? 
C83 Yb1 N7 C55 110.5(5) . . . . ? 
C52 Yb1 N7 C55 -113.3(7) . . . . ? 
N4 Yb1 N7 C52 145.7(4) . . . . ? 
N3 Yb1 N7 C52 -20.8(5) . . . . ? 
N1 Yb1 N7 C52 53.8(5) . . . . ? 
N2 Yb1 N7 C52 173.4(9) . . . . ? 
C53 Yb1 N7 C52 36.4(4) . . . . ? 
C85 Yb1 N7 C52 -94.2(5) . . . . ? 
N11 Yb1 N7 C52 -115.0(5) . . . . ? 
C84 Yb1 N7 C52 -106.5(5) . . . . ? 
C54 Yb1 N7 C52 77.2(5) . . . . ? 
C82 Yb1 N7 C52 -141.8(5) . . . . ? 
C83 Yb1 N7 C52 -136.2(4) . . . . ? 
N4 Yb1 N7 Yb2 -99.9(3) . . . . ? 
N3 Yb1 N7 Yb2 93.6(3) . . . . ? 
N1 Yb1 N7 Yb2 168.3(2) . . . . ? 
N2 Yb1 N7 Yb2 -72.1(10) . . . . ? 
C53 Yb1 N7 Yb2 150.8(4) . . . . ? 
C85 Yb1 N7 Yb2 20.3(3) . . . . ? 
N11 Yb1 N7 Yb2 -0.5(2) . . . . ? 
C84 Yb1 N7 Yb2 8.0(3) . . . . ? 
C54 Yb1 N7 Yb2 -168.3(4) . . . . ? 
C82 Yb1 N7 Yb2 -27.4(3) . . . . ? 
C83 Yb1 N7 Yb2 -21.8(3) . . . . ? 
C52 Yb1 N7 Yb2 114.5(5) . . . . ? 
N12 Yb2 N8 C60 -133.4(8) . . . . ? 
N7 Yb2 N8 C60 66.4(9) . . . . ? 
N11 Yb2 N8 C60 29.7(8) . . . . ? 
N6 Yb2 N8 C60 -176.1(9) . . . . ? 
N10 Yb2 N8 C60 -94.7(8) . . . . ? 
N9 Yb2 N8 C60 -29.6(9) . . . . ? 
N5 Yb2 N8 C60 116.0(8) . . . . ? 
N12 Yb2 N8 C57 38.0(8) . . . . ? 
N7 Yb2 N8 C57 -122.2(6) . . . . ? 
N11 Yb2 N8 C57 -158.9(6) . . . . ? 
N6 Yb2 N8 C57 -4.7(5) . . . . ? 
N10 Yb2 N8 C57 76.7(6) . . . . ? 
N9 Yb2 N8 C57 141.8(6) . . . . ? 
N5 Yb2 N8 C57 -72.6(6) . . . . ? 
N12 Yb2 N9 C81 -147.8(5) . . . . ? 
N8 Yb2 N9 C81 67.0(6) . . . . ? 
N7 Yb2 N9 C81 -69.1(5) . . . . ? 
N11 Yb2 N9 C81 1.9(5) . . . . ? 
N6 Yb2 N9 C81 142.3(5) . . . . ? 
N10 Yb2 N9 C81 141.6(6) . . . . ? 
N5 Yb2 N9 C81 -38.7(7) . . . . ? 
N12 Yb2 N9 C62 29.4(6) . . . . ? 
N8 Yb2 N9 C62 -115.8(6) . . . . ? 
N7 Yb2 N9 C62 108.1(6) . . . . ? 
N11 Yb2 N9 C62 179.1(6) . . . . ? 
N6 Yb2 N9 C62 -40.5(8) . . . . ? 
N10 Yb2 N9 C62 -41.2(6) . . . . ? 
N5 Yb2 N9 C62 138.5(6) . . . . ? 
N12 Yb2 N10 C86 -0.7(5) . . . . ? 
N8 Yb2 N10 C86 -157.8(5) . . . . ? 
N7 Yb2 N10 C86 42.1(6) . . . . ? 
N11 Yb2 N10 C86 135.5(5) . . . . ? 
N6 Yb2 N10 C86 -87.3(5) . . . . ? 
N9 Yb2 N10 C86 92.3(5) . . . . ? 
N5 Yb2 N10 C86 -87.4(6) . . . . ? 
N12 Yb2 N10 C72 -152.9(6) . . . . ? 
N8 Yb2 N10 C72 50.0(5) . . . . ? 
N7 Yb2 N10 C72 -110.2(6) . . . . ? 
N11 Yb2 N10 C72 -16.8(6) . . . . ? 
N6 Yb2 N10 C72 120.4(6) . . . . ? 
N9 Yb2 N10 C72 -60.0(5) . . . . ? 
N5 Yb2 N10 C72 120.3(6) . . . . ? 
N12 Yb2 N11 C85 -141.9(7) . . . . ? 
N8 Yb2 N11 C85 53.2(7) . . . . ? 
N7 Yb2 N11 C85 -100.7(8) . . . . ? 
N6 Yb2 N11 C85 17.3(9) . . . . ? 
N10 Yb2 N11 C85 123.8(7) . . . . ? 
N9 Yb2 N11 C85 168.0(8) . . . . ? 
N5 Yb2 N11 C85 -34.5(7) . . . . ? 
N12 Yb2 N11 C82 49.9(7) . . . . ? 
N8 Yb2 N11 C82 -115.0(6) . . . . ? 
N7 Yb2 N11 C82 91.1(6) . . . . ? 
N6 Yb2 N11 C82 -150.9(5) . . . . ? 
N10 Yb2 N11 C82 -44.4(6) . . . . ? 
N9 Yb2 N11 C82 -0.2(5) . . . . ? 
N5 Yb2 N11 C82 157.2(6) . . . . ? 
N12 Yb2 N11 Yb1 -41.8(5) . . . . ? 
N8 Yb2 N11 Yb1 153.3(3) . . . . ? 
N7 Yb2 N11 Yb1 -0.6(3) . . . . ? 
N6 Yb2 N11 Yb1 117.4(3) . . . . ? 
N10 Yb2 N11 Yb1 -136.1(3) . . . . ? 
N9 Yb2 N11 Yb1 -91.9(3) . . . . ? 
N5 Yb2 N11 Yb1 65.5(3) . . . . ? 
N4 Yb1 N11 C85 -133.5(5) . . . . ? 
N3 Yb1 N11 C85 33.8(5) . . . . ? 
N1 Yb1 N11 C85 71.4(12) . . . . ? 
N2 Yb1 N11 C85 -59.1(5) . . . . ? 
C53 Yb1 N11 C85 113.0(5) . . . . ? 
C84 Yb1 N11 C85 -35.3(5) . . . . ? 
C54 Yb1 N11 C85 142.6(5) . . . . ? 
C82 Yb1 N11 C85 -109.7(7) . . . . ? 
C83 Yb1 N11 C85 -74.9(5) . . . . ? 
C52 Yb1 N11 C85 107.8(5) . . . . ? 
N4 Yb1 N11 C82 -23.8(5) . . . . ? 
N3 Yb1 N11 C82 143.5(4) . . . . ? 
N1 Yb1 N11 C82 -178.9(9) . . . . ? 
N2 Yb1 N11 C82 50.6(5) . . . . ? 
C53 Yb1 N11 C82 -137.3(5) . . . . ? 
C85 Yb1 N11 C82 109.7(7) . . . . ? 
C84 Yb1 N11 C82 74.4(5) . . . . ? 
C54 Yb1 N11 C82 -107.8(5) . . . . ? 
C83 Yb1 N11 C82 34.8(4) . . . . ? 
C52 Yb1 N11 C82 -142.5(5) . . . . ? 
N4 Yb1 N11 Yb2 93.5(3) . . . . ? 
N3 Yb1 N11 Yb2 -99.3(3) . . . . ? 
N1 Yb1 N11 Yb2 -61.7(11) . . . . ? 
N2 Yb1 N11 Yb2 167.9(3) . . . . ? 
C53 Yb1 N11 Yb2 -20.0(3) . . . . ? 
C85 Yb1 N11 Yb2 -133.1(6) . . . . ? 
C84 Yb1 N11 Yb2 -168.3(5) . . . . ? 
C54 Yb1 N11 Yb2 9.5(3) . . . . ? 
C82 Yb1 N11 Yb2 117.3(6) . . . . ? 
C83 Yb1 N11 Yb2 152.1(4) . . . . ? 
C52 Yb1 N11 Yb2 -25.2(3) . . . . ? 
N8 Yb2 N12 C90 -137.9(8) . . . . ? 
N7 Yb2 N12 C90 28.3(8) . . . . ? 
N11 Yb2 N12 C90 67.4(9) . . . . ? 
N6 Yb2 N12 C90 -98.2(8) . . . . ? 
N10 Yb2 N12 C90 -179.0(9) . . . . ? 
N9 Yb2 N12 C90 112.1(8) . . . . ? 
N5 Yb2 N12 C90 -32.9(9) . . . . ? 
N8 Yb2 N12 C87 38.4(7) . . . . ? 
N7 Yb2 N12 C87 -155.4(6) . . . . ? 
N11 Yb2 N12 C87 -116.2(6) . . . . ? 
N6 Yb2 N12 C87 78.2(5) . . . . ? 
N10 Yb2 N12 C87 -2.6(5) . . . . ? 
N9 Yb2 N12 C87 -71.5(5) . . . . ? 
N5 Yb2 N12 C87 143.4(5) . . . . ? 
N16 Yb3 N13 C111 -120.4(5) 2_756 . . . ? 
N16 Yb3 N13 C111 -171.1(5) . . . . ? 
N15 Yb3 N13 C111 75.1(5) 2_756 . . . ? 
N15 Yb3 N13 C111 3.0(5) . . . . ? 
N14 Yb3 N13 C111 -59.5(6) 2_756 . . . ? 
N14 Yb3 N13 C111 154.7(5) . . . . ? 
N13 Yb3 N13 C111 40.3(5) 2_756 . . . ? 
C117 Yb3 N13 C111 -102.2(5) 2_756 . . . ? 
N16 Yb3 N13 C92 40.2(5) 2_756 . . . ? 
N16 Yb3 N13 C92 -10.6(6) . . . . ? 
N15 Yb3 N13 C92 -124.4(5) 2_756 . . . ? 
N15 Yb3 N13 C92 163.6(5) . . . . ? 
N14 Yb3 N13 C92 101.1(5) 2_756 . . . ? 
N14 Yb3 N13 C92 -44.8(5) . . . . ? 
N13 Yb3 N13 C92 -159.2(5) 2_756 . . . ? 
C117 Yb3 N13 C92 58.3(5) 2_756 . . . ? 
N16 Yb3 N14 C116 78.4(6) 2_756 . . . ? 
N16 Yb3 N14 C116 -0.1(5) . . . . ? 
N15 Yb3 N14 C116 -122.5(6) 2_756 . . . ? 
N15 Yb3 N14 C116 -163.6(5) . . . . ? 
N14 Yb3 N14 C116 40.4(5) 2_756 . . . ? 
N13 Yb3 N14 C116 158.0(6) . . . . ? 
N13 Yb3 N14 C116 -65.9(6) 2_756 . . . ? 
C117 Yb3 N14 C116 68.1(6) 2_756 . . . ? 
N16 Yb3 N14 C102 -123.3(6) 2_756 . . . ? 
N16 Yb3 N14 C102 158.1(7) . . . . ? 
N15 Yb3 N14 C102 35.7(6) 2_756 . . . ? 
N15 Yb3 N14 C102 -5.3(7) . . . . ? 
N14 Yb3 N14 C102 -161.3(6) 2_756 . . . ? 
N13 Yb3 N14 C102 -43.8(6) . . . . ? 
N13 Yb3 N14 C102 92.4(6) 2_756 . . . ? 
C117 Yb3 N14 C102 -133.6(6) 2_756 . . . ? 
N16 Yb3 N15 C112 64.9(5) 2_756 . . . ? 
N16 Yb3 N15 C112 173.2(5) . . . . ? 
N15 Yb3 N15 C112 -84.1(5) 2_756 . . . ? 
N14 Yb3 N15 C112 125.6(5) 2_756 . . . ? 
N14 Yb3 N15 C112 -40.6(6) . . . . ? 
N13 Yb3 N15 C112 0.9(4) . . . . ? 
N13 Yb3 N15 C112 -153.8(5) 2_756 . . . ? 
C117 Yb3 N15 C112 87.2(5) 2_756 . . . ? 
N16 Yb3 N15 C115 -117.1(6) 2_756 . . . ? 
N16 Yb3 N15 C115 -8.8(9) . . . . ? 
N15 Yb3 N15 C115 93.9(7) 2_756 . . . ? 
N14 Yb3 N15 C115 -56.5(6) 2_756 . . . ? 
N14 Yb3 N15 C115 137.4(6) . . . . ? 
N13 Yb3 N15 C115 178.9(7) . . . . ? 
N13 Yb3 N15 C115 24.2(6) 2_756 . . . ? 
C117 Yb3 N15 C115 -94.9(7) 2_756 . . . ? 
N16 Yb3 N15 Yb4 149.0(2) 2_756 . . . ? 
N16 Yb3 N15 Yb4 -102.7(4) . . . . ? 
N15 Yb3 N15 Yb4 0.0 2_756 . . . ? 
N14 Yb3 N15 Yb4 -150.4(3) 2_756 . . . ? 
N14 Yb3 N15 Yb4 43.4(4) . . . . ? 
N13 Yb3 N15 Yb4 85.0(2) . . . . ? 
N13 Yb3 N15 Yb4 -69.7(2) 2_756 . . . ? 
C117 Yb3 N15 Yb4 171.2(2) 2_756 . . . ? 
N18 Yb4 N15 C112 -150.2(4) . . . . ? 
N18 Yb4 N15 C112 18.6(4) 2_756 . . . ? 
N17 Yb4 N15 C112 -176.4(9) . . . . ? 
N17 Yb4 N15 C112 -55.9(4) 2_756 . . . ? 
C114 Yb4 N15 C112 104.7(4) 2_756 . . . ? 
C114 Yb4 N15 C112 -77.3(4) . . . . ? 
C113 Yb4 N15 C112 134.5(4) 2_756 . . . ? 
C113 Yb4 N15 C112 -36.5(4) . . . . ? 
C115 Yb4 N15 C112 -113.5(6) . . . . ? 
C115 Yb4 N15 C112 91.7(4) 2_756 . . . ? 
C112 Yb4 N15 C112 138.5(3) 2_756 . . . ? 
N18 Yb4 N15 C115 -36.6(4) . . . . ? 
N18 Yb4 N15 C115 132.1(4) 2_756 . . . ? 
N17 Yb4 N15 C115 -62.9(10) . . . . ? 
N17 Yb4 N15 C115 57.6(5) 2_756 . . . ? 
C114 Yb4 N15 C115 -141.7(4) 2_756 . . . ? 
C114 Yb4 N15 C115 36.2(4) . . . . ? 
C113 Yb4 N15 C115 -111.9(4) 2_756 . . . ? 
C113 Yb4 N15 C115 77.0(4) . . . . ? 
C115 Yb4 N15 C115 -154.7(3) 2_756 . . . ? 
C112 Yb4 N15 C115 -108.0(4) 2_756 . . . ? 
C112 Yb4 N15 C115 113.5(6) . . . . ? 
N18 Yb4 N15 Yb3 98.6(3) . . . . ? 
N18 Yb4 N15 Yb3 -92.6(3) 2_756 . . . ? 
N17 Yb4 N15 Yb3 72.4(10) . . . . ? 
N17 Yb4 N15 Yb3 -167.1(2) 2_756 . . . ? 
C114 Yb4 N15 Yb3 -6.5(3) 2_756 . . . ? 
C114 Yb4 N15 Yb3 171.5(4) . . . . ? 
C113 Yb4 N15 Yb3 23.3(3) 2_756 . . . ? 
C113 Yb4 N15 Yb3 -147.7(4) . . . . ? 
C115 Yb4 N15 Yb3 135.3(5) . . . . ? 
C115 Yb4 N15 Yb3 -19.5(2) 2_756 . . . ? 
C112 Yb4 N15 Yb3 27.3(2) 2_756 . . . ? 
C112 Yb4 N15 Yb3 -111.2(5) . . . . ? 
N16 Yb3 N16 C120 85.3(8) 2_756 . . . ? 
N15 Yb3 N16 C120 -122.6(8) 2_756 . . . ? 
N15 Yb3 N16 C120 -32.2(10) . . . . ? 
N14 Yb3 N16 C120 14.5(8) 2_756 . . . ? 
N14 Yb3 N16 C120 172.4(9) . . . . ? 
N13 Yb3 N16 C120 136.5(7) . . . . ? 
N13 Yb3 N16 C120 -65.0(8) 2_756 . . . ? 
C117 Yb3 N16 C120 61.7(8) 2_756 . . . ? 
N16 Yb3 N16 C117 -82.6(6) 2_756 . . . ? 
N15 Yb3 N16 C117 69.5(6) 2_756 . . . ? 
N15 Yb3 N16 C117 159.9(5) . . . . ? 
N14 Yb3 N16 C117 -153.4(6) 2_756 . . . ? 
N14 Yb3 N16 C117 4.5(5) . . . . ? 
N13 Yb3 N16 C117 -31.4(7) . . . . ? 
N13 Yb3 N16 C117 127.1(6) 2_756 . . . ? 
C117 Yb3 N16 C117 -106.2(6) 2_756 . . . ? 
N18 Yb4 N17 C131 -5.0(5) . . . . ? 
N18 Yb4 N17 C131 -172.1(5) 2_756 . . . ? 
N17 Yb4 N17 C131 -102.7(6) 2_756 . . . ? 
C114 Yb4 N17 C131 104.7(6) 2_756 . . . ? 
C114 Yb4 N17 C131 -65.5(6) . . . . ? 
C113 Yb4 N17 C131 73.7(5) 2_756 . . . ? 
C113 Yb4 N17 C131 -108.3(6) . . . . ? 
C115 Yb4 N17 C131 -24.1(7) . . . . ? 
C115 Yb4 N17 C131 112.0(5) 2_756 . . . ? 
C112 Yb4 N17 C131 65.4(5) 2_756 . . . ? 
C112 Yb4 N17 C131 -151.3(7) . . . . ? 
N18 Yb4 N17 C122 151.6(6) . . . . ? 
N18 Yb4 N17 C122 -15.5(6) 2_756 . . . ? 
N17 Yb4 N17 C122 54.0(5) 2_756 . . . ? 
C114 Yb4 N17 C122 -98.6(6) 2_756 . . . ? 
C114 Yb4 N17 C122 91.2(6) . . . . ? 
C113 Yb4 N17 C122 -129.6(6) 2_756 . . . ? 
C113 Yb4 N17 C122 48.4(7) . . . . ? 
C115 Yb4 N17 C122 132.6(5) . . . . ? 
C115 Yb4 N17 C122 -91.4(6) 2_756 . . . ? 
C112 Yb4 N17 C122 -137.9(6) 2_756 . . . ? 
C112 Yb4 N17 C122 5.4(12) . . . . ? 
N18 Yb4 N18 C135 -156.1(8) 2_756 . . . ? 
N17 Yb4 N18 C135 169.4(8) . . . . ? 
N17 Yb4 N18 C135 -123.8(8) 2_756 . . . ? 
C114 Yb4 N18 C135 101.9(8) 2_756 . . . ? 
C114 Yb4 N18 C135 -50.3(8) . . . . ? 
C113 Yb4 N18 C135 91.7(8) 2_756 . . . ? 
C113 Yb4 N18 C135 -51.9(8) . . . . ? 
C115 Yb4 N18 C135 -21.6(7) . . . . ? 
C115 Yb4 N18 C135 76.3(8) 2_756 . . . ? 
C112 Yb4 N18 C135 61.9(7) 2_756 . . . ? 
C112 Yb4 N18 C135 -20.8(8) . . . . ? 
N18 Yb4 N18 C132 46.4(5) 2_756 . . . ? 
N17 Yb4 N18 C132 11.9(5) . . . . ? 
N17 Yb4 N18 C132 78.7(5) 2_756 . . . ? 
C114 Yb4 N18 C132 -55.6(5) 2_756 . . . ? 
C114 Yb4 N18 C132 152.2(5) . . . . ? 
C113 Yb4 N18 C132 -65.7(5) 2_756 . . . ? 
C113 Yb4 N18 C132 150.6(5) . . . . ? 
C115 Yb4 N18 C132 -179.1(5) . . . . ? 
C115 Yb4 N18 C132 -81.2(6) 2_756 . . . ? 
C112 Yb4 N18 C132 -95.6(5) 2_756 . . . ? 
C112 Yb4 N18 C132 -178.3(5) . . . . ? 
C6 C1 C2 C3 0.8(11) . . . . ? 
C11 C1 C2 C3 174.4(8) . . . . ? 
C6 C1 C2 N1 -172.4(7) . . . . ? 
C11 C1 C2 N1 1.1(11) . . . . ? 
C21 N1 C2 C3 127.1(9) . . . . ? 
Yb1 N1 C2 C3 -81.8(9) . . . . ? 
C21 N1 C2 C1 -59.8(10) . . . . ? 
Yb1 N1 C2 C1 91.4(8) . . . . ? 
C1 C2 C3 C4 0.0(12) . . . . ? 
N1 C2 C3 C4 172.9(8) . . . . ? 
C2 C3 C4 C5 0.2(12) . . . . ? 
C3 C4 C5 C6 -1.4(12) . . . . ? 
C3 C4 C5 C10 -176.5(8) . . . . ? 
C4 C5 C6 C7 -176.7(8) . . . . ? 
C10 C5 C6 C7 -1.5(12) . . . . ? 
C4 C5 C6 C1 2.2(12) . . . . ? 
C10 C5 C6 C1 177.4(7) . . . . ? 
C2 C1 C6 C7 177.0(8) . . . . ? 
C11 C1 C6 C7 3.5(12) . . . . ? 
C2 C1 C6 C5 -1.9(11) . . . . ? 
C11 C1 C6 C5 -175.4(8) . . . . ? 
C5 C6 C7 C8 2.0(12) . . . . ? 
C1 C6 C7 C8 -176.8(8) . . . . ? 
C6 C7 C8 C9 -1.7(13) . . . . ? 
C7 C8 C9 C10 0.9(14) . . . . ? 
C8 C9 C10 C5 -0.4(13) . . . . ? 
C4 C5 C10 C9 175.9(8) . . . . ? 
C6 C5 C10 C9 0.7(12) . . . . ? 
C2 C1 C11 C12 -62.0(11) . . . . ? 
C6 C1 C11 C12 111.4(9) . . . . ? 
C2 C1 C11 C16 115.1(9) . . . . ? 
C6 C1 C11 C16 -71.5(11) . . . . ? 
C16 C11 C12 N2 -174.1(7) . . . . ? 
C1 C11 C12 N2 3.1(11) . . . . ? 
C16 C11 C12 C13 2.2(11) . . . . ? 
C1 C11 C12 C13 179.4(8) . . . . ? 
C26 N2 C12 C11 -64.0(10) . . . . ? 
Yb1 N2 C12 C11 89.6(8) . . . . ? 
C26 N2 C12 C13 119.7(8) . . . . ? 
Yb1 N2 C12 C13 -86.7(8) . . . . ? 
C11 C12 C13 C14 0.7(13) . . . . ? 
N2 C12 C13 C14 176.9(8) . . . . ? 
C12 C13 C14 C15 0.0(14) . . . . ? 
C13 C14 C15 C20 179.9(10) . . . . ? 
C13 C14 C15 C16 -3.6(14) . . . . ? 
C20 C15 C16 C17 1.7(13) . . . . ? 
C14 C15 C16 C17 -174.9(8) . . . . ? 
C20 C15 C16 C11 -177.1(8) . . . . ? 
C14 C15 C16 C11 6.3(12) . . . . ? 
C12 C11 C16 C15 -5.7(11) . . . . ? 
C1 C11 C16 C15 177.2(8) . . . . ? 
C12 C11 C16 C17 175.5(7) . . . . ? 
C1 C11 C16 C17 -1.6(12) . . . . ? 
C15 C16 C17 C18 -0.7(12) . . . . ? 
C11 C16 C17 C18 178.0(8) . . . . ? 
C16 C17 C18 C19 -1.1(13) . . . . ? 
C17 C18 C19 C20 1.8(13) . . . . ? 
C18 C19 C20 C15 -0.7(14) . . . . ? 
C16 C15 C20 C19 -1.0(15) . . . . ? 
C14 C15 C20 C19 175.5(9) . . . . ? 
C2 N1 C21 C22 156.9(8) . . . . ? 
Yb1 N1 C21 C22 3.0(10) . . . . ? 
C25 N3 C22 C23 -0.5(9) . . . . ? 
Yb1 N3 C22 C23 -174.9(6) . . . . ? 
C25 N3 C22 C21 -172.2(7) . . . . ? 
Yb1 N3 C22 C21 13.4(9) . . . . ? 
N1 C21 C22 C23 179.2(10) . . . . ? 
N1 C21 C22 N3 -11.3(12) . . . . ? 
N3 C22 C23 C24 0.9(11) . . . . ? 
C21 C22 C23 C24 171.0(10) . . . . ? 
C22 C23 C24 C25 -0.9(11) . . . . ? 
C22 N3 C25 C24 -0.1(9) . . . . ? 
Yb1 N3 C25 C24 172.0(7) . . . . ? 
C23 C24 C25 N3 0.6(11) . . . . ? 
C12 N2 C26 C27 155.5(7) . . . . ? 
Yb1 N2 C26 C27 -0.9(9) . . . . ? 
C30 N4 C27 C28 -0.4(10) . . . . ? 
Yb1 N4 C27 C28 -170.8(6) . . . . ? 
C30 N4 C27 C26 -174.1(7) . . . . ? 
Yb1 N4 C27 C26 15.5(9) . . . . ? 
N2 C26 C27 N4 -9.9(12) . . . . ? 
N2 C26 C27 C28 177.6(9) . . . . ? 
N4 C27 C28 C29 1.4(11) . . . . ? 
C26 C27 C28 C29 174.2(8) . . . . ? 
C27 C28 C29 C30 -1.7(10) . . . . ? 
C27 N4 C30 C29 -0.7(9) . . . . ? 
Yb1 N4 C30 C29 166.1(7) . . . . ? 
C28 C29 C30 N4 1.6(10) . . . . ? 
C36 C31 C32 C33 1.4(12) . . . . ? 
C41 C31 C32 C33 -178.9(8) . . . . ? 
C36 C31 C32 N5 -177.7(7) . . . . ? 
C41 C31 C32 N5 2.0(12) . . . . ? 
C51 N5 C32 C31 -121.8(9) . . . . ? 
Yb2 N5 C32 C31 73.6(10) . . . . ? 
C51 N5 C32 C33 59.1(11) . . . . ? 
Yb2 N5 C32 C33 -105.6(8) . . . . ? 
C31 C32 C33 C34 1.7(14) . . . . ? 
N5 C32 C33 C34 -179.1(8) . . . . ? 
C32 C33 C34 C35 0.1(14) . . . . ? 
C33 C34 C35 C36 -5.0(13) . . . . ? 
C33 C34 C35 C40 178.4(8) . . . . ? 
C34 C35 C36 C37 -172.5(8) . . . . ? 
C40 C35 C36 C37 4.2(11) . . . . ? 
C34 C35 C36 C31 8.0(12) . . . . ? 
C40 C35 C36 C31 -175.2(7) . . . . ? 
C32 C31 C36 C35 -6.2(11) . . . . ? 
C41 C31 C36 C35 174.1(7) . . . . ? 
C32 C31 C36 C37 174.3(7) . . . . ? 
C41 C31 C36 C37 -5.4(11) . . . . ? 
C35 C36 C37 C38 -4.2(11) . . . . ? 
C31 C36 C37 C38 175.2(7) . . . . ? 
C36 C37 C38 C39 1.7(12) . . . . ? 
C37 C38 C39 C40 0.7(13) . . . . ? 
C38 C39 C40 C35 -0.5(13) . . . . ? 
C34 C35 C40 C39 174.7(9) . . . . ? 
C36 C35 C40 C39 -2.0(13) . . . . ? 
C32 C31 C41 C42 -61.1(11) . . . . ? 
C36 C31 C41 C42 118.6(8) . . . . ? 
C32 C31 C41 C46 119.2(9) . . . . ? 
C36 C31 C41 C46 -61.2(10) . . . . ? 
C46 C41 C42 C43 0.9(11) . . . . ? 
C31 C41 C42 C43 -178.8(7) . . . . ? 
C46 C41 C42 N6 -177.2(6) . . . . ? 
C31 C41 C42 N6 3.0(10) . . . . ? 
C56 N6 C42 C41 -61.9(10) . . . . ? 
Yb2 N6 C42 C41 96.4(7) . . . . ? 
C56 N6 C42 C43 120.0(8) . . . . ? 
Yb2 N6 C42 C43 -81.8(8) . . . . ? 
C41 C42 C43 C44 2.1(11) . . . . ? 
N6 C42 C43 C44 -179.8(7) . . . . ? 
C42 C43 C44 C45 -2.2(12) . . . . ? 
C43 C44 C45 C50 -179.9(8) . . . . ? 
C43 C44 C45 C46 -0.8(12) . . . . ? 
C50 C45 C46 C47 2.9(12) . . . . ? 
C44 C45 C46 C47 -176.2(8) . . . . ? 
C50 C45 C46 C41 -176.9(8) . . . . ? 
C44 C45 C46 C41 4.0(11) . . . . ? 
C42 C41 C46 C45 -4.0(11) . . . . ? 
C31 C41 C46 C45 175.8(7) . . . . ? 
C42 C41 C46 C47 176.2(8) . . . . ? 
C31 C41 C46 C47 -4.1(12) . . . . ? 
C45 C46 C47 C48 -3.6(13) . . . . ? 
C41 C46 C47 C48 176.2(9) . . . . ? 
C46 C47 C48 C49 1.3(15) . . . . ? 
C47 C48 C49 C50 1.9(15) . . . . ? 
C48 C49 C50 C45 -2.6(16) . . . . ? 
C44 C45 C50 C49 179.2(9) . . . . ? 
C46 C45 C50 C49 0.1(14) . . . . ? 
C32 N5 C51 C52 -179.0(7) . . . . ? 
Yb2 N5 C51 C52 -12.0(10) . . . . ? 
C55 N7 C52 C53 0.8(9) . . . . ? 
Yb2 N7 C52 C53 -172.0(5) . . . . ? 
Yb1 N7 C52 C53 -65.7(5) . . . . ? 
C55 N7 C52 C51 -174.3(7) . . . . ? 
Yb2 N7 C52 C51 12.9(9) . . . . ? 
Yb1 N7 C52 C51 119.2(7) . . . . ? 
C55 N7 C52 Yb1 66.5(5) . . . . ? 
Yb2 N7 C52 Yb1 -106.3(4) . . . . ? 
N5 C51 C52 N7 0.7(12) . . . . ? 
N5 C51 C52 C53 -173.3(8) . . . . ? 
N5 C51 C52 Yb1 97.7(8) . . . . ? 
N4 Yb1 C52 N7 -40.5(5) . . . . ? 
N3 Yb1 C52 N7 159.5(5) . . . . ? 
N1 Yb1 C52 N7 -133.5(4) . . . . ? 
N2 Yb1 C52 N7 -175.0(7) . . . . ? 
C53 Yb1 C52 N7 -115.9(7) . . . . ? 
C85 Yb1 C52 N7 80.8(4) . . . . ? 
N11 Yb1 C52 N7 53.2(4) . . . . ? 
C84 Yb1 C52 N7 81.7(5) . . . . ? 
C54 Yb1 C52 N7 -76.1(5) . . . . ? 
C82 Yb1 C52 N7 36.2(4) . . . . ? 
C83 Yb1 C52 N7 50.9(5) . . . . ? 
N4 Yb1 C52 C53 75.4(5) . . . . ? 
N3 Yb1 C52 C53 -84.6(5) . . . . ? 
N1 Yb1 C52 C53 -17.6(5) . . . . ? 
N2 Yb1 C52 C53 -59.0(10) . . . . ? 
C85 Yb1 C52 C53 -163.3(5) . . . . ? 
N11 Yb1 C52 C53 169.2(5) . . . . ? 
C84 Yb1 C52 C53 -162.4(5) . . . . ? 
C54 Yb1 C52 C53 39.8(5) . . . . ? 
C82 Yb1 C52 C53 152.1(5) . . . . ? 
C83 Yb1 C52 C53 166.9(4) . . . . ? 
N4 Yb1 C52 C51 -158.9(5) . . . . ? 
N3 Yb1 C52 C51 41.1(6) . . . . ? 
N1 Yb1 C52 C51 108.2(6) . . . . ? 
N2 Yb1 C52 C51 66.7(10) . . . . ? 
C53 Yb1 C52 C51 125.7(8) . . . . ? 
C85 Yb1 C52 C51 -37.6(6) . . . . ? 
N11 Yb1 C52 C51 -65.1(5) . . . . ? 
C84 Yb1 C52 C51 -36.7(6) . . . . ? 
C54 Yb1 C52 C51 165.6(7) . . . . ? 
C82 Yb1 C52 C51 -82.2(6) . . . . ? 
C83 Yb1 C52 C51 -67.4(6) . . . . ? 
N7 C52 C53 C54 0.0(9) . . . . ? 
C51 C52 C53 C54 174.4(8) . . . . ? 
Yb1 C52 C53 C54 -72.7(5) . . . . ? 
N7 C52 C53 Yb1 72.7(6) . . . . ? 
C51 C52 C53 Yb1 -112.9(8) . . . . ? 
N4 Yb1 C53 C54 -9.2(5) . . . . ? 
N3 Yb1 C53 C54 -161.9(5) . . . . ? 
N1 Yb1 C53 C54 -89.5(5) . . . . ? 
N2 Yb1 C53 C54 -92.8(5) . . . . ? 
C85 Yb1 C53 C54 126.1(5) . . . . ? 
N11 Yb1 C53 C54 98.3(5) . . . . ? 
C84 Yb1 C53 C54 133.1(5) . . . . ? 
C82 Yb1 C53 C54 76.4(5) . . . . ? 
C83 Yb1 C53 C54 87.7(6) . . . . ? 
C52 Yb1 C53 C54 108.6(7) . . . . ? 
N4 Yb1 C53 C52 -117.8(5) . . . . ? 
N3 Yb1 C53 C52 89.4(5) . . . . ? 
N1 Yb1 C53 C52 161.9(5) . . . . ? 
N2 Yb1 C53 C52 158.6(4) . . . . ? 
C85 Yb1 C53 C52 17.4(5) . . . . ? 
N11 Yb1 C53 C52 -10.3(5) . . . . ? 
C84 Yb1 C53 C52 24.5(6) . . . . ? 
C54 Yb1 C53 C52 -108.6(7) . . . . ? 
C82 Yb1 C53 C52 -32.2(5) . . . . ? 
C83 Yb1 C53 C52 -21.0(7) . . . . ? 
C52 C53 C54 C55 -0.7(9) . . . . ? 
Yb1 C53 C54 C55 -76.6(6) . . . . ? 
C52 C53 C54 Yb1 75.9(5) . . . . ? 
N4 Yb1 C54 C53 171.3(5) . . . . ? 
N3 Yb1 C54 C53 18.3(5) . . . . ? 
N1 Yb1 C54 C53 82.0(5) . . . . ? 
N2 Yb1 C54 C53 119.7(5) . . . . ? 
C85 Yb1 C54 C53 -66.6(5) . . . . ? 
N11 Yb1 C54 C53 -87.0(5) . . . . ? 
C84 Yb1 C54 C53 -83.8(7) . . . . ? 
C82 Yb1 C54 C53 -115.9(5) . . . . ? 
C83 Yb1 C54 C53 -127.4(5) . . . . ? 
C52 Yb1 C54 C53 -38.9(4) . . . . ? 
N4 Yb1 C54 C55 -78.2(5) . . . . ? 
N3 Yb1 C54 C55 128.8(5) . . . . ? 
N1 Yb1 C54 C55 -167.5(5) . . . . ? 
N2 Yb1 C54 C55 -129.8(5) . . . . ? 
C53 Yb1 C54 C55 110.5(7) . . . . ? 
C85 Yb1 C54 C55 43.9(6) . . . . ? 
N11 Yb1 C54 C55 23.5(5) . . . . ? 
C84 Yb1 C54 C55 26.7(8) . . . . ? 
C82 Yb1 C54 C55 -5.4(5) . . . . ? 
C83 Yb1 C54 C55 -16.9(6) . . . . ? 
C52 Yb1 C54 C55 71.6(5) . . . . ? 
C52 N7 C55 C54 -1.3(9) . . . . ? 
Yb2 N7 C55 C54 169.9(6) . . . . ? 
Yb1 N7 C55 C54 63.5(6) . . . . ? 
C52 N7 C55 Yb1 -64.7(5) . . . . ? 
Yb2 N7 C55 Yb1 106.4(6) . . . . ? 
C53 C54 C55 N7 1.3(10) . . . . ? 
Yb1 C54 C55 N7 -69.9(6) . . . . ? 
C53 C54 C55 Yb1 71.2(6) . . . . ? 
N4 Yb1 C55 N7 -147.2(5) . . . . ? 
N3 Yb1 C55 N7 54.7(6) . . . . ? 
N1 Yb1 C55 N7 128.7(5) . . . . ? 
N2 Yb1 C55 N7 -161.6(4) . . . . ? 
C53 Yb1 C55 N7 77.2(5) . . . . ? 
C85 Yb1 C55 N7 -27.4(5) . . . . ? 
N11 Yb1 C55 N7 -39.9(5) . . . . ? 
C84 Yb1 C55 N7 -48.0(6) . . . . ? 
C54 Yb1 C55 N7 116.3(7) . . . . ? 
C82 Yb1 C55 N7 -68.9(5) . . . . ? 
C83 Yb1 C55 N7 -76.1(5) . . . . ? 
C52 Yb1 C55 N7 36.7(4) . . . . ? 
N4 Yb1 C55 C54 96.5(5) . . . . ? 
N3 Yb1 C55 C54 -61.6(5) . . . . ? 
N1 Yb1 C55 C54 12.4(5) . . . . ? 
N2 Yb1 C55 C54 82.1(6) . . . . ? 
C53 Yb1 C55 C54 -39.1(5) . . . . ? 
C85 Yb1 C55 C54 -143.7(5) . . . . ? 
N11 Yb1 C55 C54 -156.2(5) . . . . ? 
C84 Yb1 C55 C54 -164.3(5) . . . . ? 
C82 Yb1 C55 C54 174.8(5) . . . . ? 
C83 Yb1 C55 C54 167.6(5) . . . . ? 
C52 Yb1 C55 C54 -79.6(5) . . . . ? 
C42 N6 C56 C57 165.6(7) . . . . ? 
Yb2 N6 C56 C57 5.8(10) . . . . ? 
C60 N8 C57 C58 -2.3(9) . . . . ? 
Yb2 N8 C57 C58 -176.4(5) . . . . ? 
C60 N8 C57 C56 -176.6(7) . . . . ? 
Yb2 N8 C57 C56 9.3(9) . . . . ? 
N6 C56 C57 N8 -10.4(12) . . . . ? 
N6 C56 C57 C58 176.6(8) . . . . ? 
N8 C57 C58 C59 2.6(9) . . . . ? 
C56 C57 C58 C59 175.8(9) . . . . ? 
C57 C58 C59 C60 -1.9(9) . . . . ? 
C57 N8 C60 C59 1.0(9) . . . . ? 
Yb2 N8 C60 C59 173.0(6) . . . . ? 
C58 C59 C60 N8 0.6(9) . . . . ? 
C66 C61 C62 C63 4.0(11) . . . . ? 
C71 C61 C62 C63 -177.7(7) . . . . ? 
C66 C61 C62 N9 -172.6(7) . . . . ? 
C71 C61 C62 N9 5.7(11) . . . . ? 
C81 N9 C62 C61 -107.0(8) . . . . ? 
Yb2 N9 C62 C61 75.9(9) . . . . ? 
C81 N9 C62 C63 76.3(9) . . . . ? 
Yb2 N9 C62 C63 -100.8(7) . . . . ? 
C61 C62 C63 C64 -0.2(12) . . . . ? 
N9 C62 C63 C64 176.5(7) . . . . ? 
C62 C63 C64 C65 -2.8(12) . . . . ? 
C63 C64 C65 C66 1.8(12) . . . . ? 
C63 C64 C65 C70 -174.9(8) . . . . ? 
C70 C65 C66 C67 2.6(11) . . . . ? 
C64 C65 C66 C67 -174.2(7) . . . . ? 
C70 C65 C66 C61 178.8(8) . . . . ? 
C64 C65 C66 C61 2.1(11) . . . . ? 
C62 C61 C66 C65 -4.9(11) . . . . ? 
C71 C61 C66 C65 176.8(7) . . . . ? 
C62 C61 C66 C67 171.3(7) . . . . ? 
C71 C61 C66 C67 -7.0(11) . . . . ? 
C65 C66 C67 C68 -1.7(12) . . . . ? 
C61 C66 C67 C68 -178.0(7) . . . . ? 
C66 C67 C68 C69 -0.8(11) . . . . ? 
C67 C68 C69 C70 2.5(12) . . . . ? 
C68 C69 C70 C65 -1.6(13) . . . . ? 
C66 C65 C70 C69 -1.0(12) . . . . ? 
C64 C65 C70 C69 175.7(8) . . . . ? 
C62 C61 C71 C72 -65.5(10) . . . . ? 
C66 C61 C71 C72 112.7(8) . . . . ? 
C62 C61 C71 C76 112.3(8) . . . . ? 
C66 C61 C71 C76 -69.5(10) . . . . ? 
C76 C71 C72 C73 1.8(10) . . . . ? 
C61 C71 C72 C73 179.7(7) . . . . ? 
C76 C71 C72 N10 -174.2(6) . . . . ? 
C61 C71 C72 N10 3.7(10) . . . . ? 
C86 N10 C72 C71 -57.0(9) . . . . ? 
Yb2 N10 C72 C71 94.1(7) . . . . ? 
C86 N10 C72 C73 126.9(7) . . . . ? 
Yb2 N10 C72 C73 -82.0(7) . . . . ? 
C71 C72 C73 C74 0.5(11) . . . . ? 
N10 C72 C73 C74 176.6(7) . . . . ? 
C72 C73 C74 C75 -1.7(12) . . . . ? 
C73 C74 C75 C80 179.7(8) . . . . ? 
C73 C74 C75 C76 0.4(11) . . . . ? 
C80 C75 C76 C71 -177.3(8) . . . . ? 
C74 C75 C76 C71 2.0(11) . . . . ? 
C80 C75 C76 C77 0.3(11) . . . . ? 
C74 C75 C76 C77 179.6(7) . . . . ? 
C72 C71 C76 C75 -3.1(10) . . . . ? 
C61 C71 C76 C75 179.1(7) . . . . ? 
C72 C71 C76 C77 179.5(7) . . . . ? 
C61 C71 C76 C77 1.6(11) . . . . ? 
C75 C76 C77 C78 0.0(11) . . . . ? 
C71 C76 C77 C78 177.6(7) . . . . ? 
C76 C77 C78 C79 -1.1(13) . . . . ? 
C77 C78 C79 C80 1.8(14) . . . . ? 
C78 C79 C80 C75 -1.5(14) . . . . ? 
C76 C75 C80 C79 0.4(13) . . . . ? 
C74 C75 C80 C79 -178.9(8) . . . . ? 
C62 N9 C81 C82 179.1(7) . . . . ? 
Yb2 N9 C81 C82 -3.4(9) . . . . ? 
C85 N11 C82 C83 2.1(9) . . . . ? 
Yb2 N11 C82 C83 173.3(5) . . . . ? 
Yb1 N11 C82 C83 -68.7(6) . . . . ? 
C85 N11 C82 C81 -172.6(7) . . . . ? 
Yb2 N11 C82 C81 -1.3(9) . . . . ? 
Yb1 N11 C82 C81 116.6(6) . . . . ? 
C85 N11 C82 Yb1 70.8(5) . . . . ? 
Yb2 N11 C82 Yb1 -117.9(4) . . . . ? 
N9 C81 C82 N11 3.3(11) . . . . ? 
N9 C81 C82 C83 -170.2(8) . . . . ? 
N9 C81 C82 Yb1 91.8(7) . . . . ? 
N4 Yb1 C82 N11 156.2(5) . . . . ? 
N3 Yb1 C82 N11 -44.4(5) . . . . ? 
N1 Yb1 C82 N11 179.3(6) . . . . ? 
N2 Yb1 C82 N11 -136.9(4) . . . . ? 
C53 Yb1 C82 N11 49.9(5) . . . . ? 
C85 Yb1 C82 N11 -38.7(4) . . . . ? 
C84 Yb1 C82 N11 -78.6(5) . . . . ? 
C54 Yb1 C82 N11 79.9(5) . . . . ? 
C83 Yb1 C82 N11 -117.0(7) . . . . ? 
C52 Yb1 C82 N11 35.1(5) . . . . ? 
N4 Yb1 C82 C83 -86.8(5) . . . . ? 
N3 Yb1 C82 C83 72.6(5) . . . . ? 
N1 Yb1 C82 C83 -63.7(9) . . . . ? 
N2 Yb1 C82 C83 -19.9(5) . . . . ? 
C53 Yb1 C82 C83 166.9(4) . . . . ? 
C85 Yb1 C82 C83 78.3(5) . . . . ? 
N11 Yb1 C82 C83 117.0(7) . . . . ? 
C84 Yb1 C82 C83 38.4(5) . . . . ? 
C54 Yb1 C82 C83 -163.0(5) . . . . ? 
C52 Yb1 C82 C83 152.1(5) . . . . ? 
N4 Yb1 C82 C81 41.7(5) . . . . ? 
N3 Yb1 C82 C81 -158.9(5) . . . . ? 
N1 Yb1 C82 C81 64.8(10) . . . . ? 
N2 Yb1 C82 C81 108.6(5) . . . . ? 
C53 Yb1 C82 C81 -64.6(6) . . . . ? 
C85 Yb1 C82 C81 -153.2(7) . . . . ? 
N11 Yb1 C82 C81 -114.5(8) . . . . ? 
C84 Yb1 C82 C81 166.9(7) . . . . ? 
C54 Yb1 C82 C81 -34.6(6) . . . . ? 
C83 Yb1 C82 C81 128.5(8) . . . . ? 
C52 Yb1 C82 C81 -79.4(6) . . . . ? 
N11 C82 C83 C84 -0.5(9) . . . . ? 
C81 C82 C83 C84 173.5(8) . . . . ? 
Yb1 C82 C83 C84 -68.0(6) . . . . ? 
N11 C82 C83 Yb1 67.6(6) . . . . ? 
C81 C82 C83 Yb1 -118.5(8) . . . . ? 
N4 Yb1 C83 C82 86.3(5) . . . . ? 
N3 Yb1 C83 C82 -121.2(4) . . . . ? 
N1 Yb1 C83 C82 154.8(4) . . . . ? 
N2 Yb1 C83 C82 159.4(5) . . . . ? 
C53 Yb1 C83 C82 -20.9(7) . . . . ? 
C85 Yb1 C83 C82 -74.1(5) . . . . ? 
N11 Yb1 C83 C82 -35.0(4) . . . . ? 
C84 Yb1 C83 C82 -111.5(7) . . . . ? 
C54 Yb1 C83 C82 23.3(6) . . . . ? 
C52 Yb1 C83 C82 -32.1(5) . . . . ? 
N4 Yb1 C83 C84 -162.3(5) . . . . ? 
N3 Yb1 C83 C84 -9.7(5) . . . . ? 
N1 Yb1 C83 C84 -93.8(5) . . . . ? 
N2 Yb1 C83 C84 -89.2(5) . . . . ? 
C53 Yb1 C83 C84 90.6(6) . . . . ? 
C85 Yb1 C83 C84 37.4(4) . . . . ? 
N11 Yb1 C83 C84 76.4(5) . . . . ? 
C54 Yb1 C83 C84 134.7(5) . . . . ? 
C82 Yb1 C83 C84 111.5(7) . . . . ? 
C52 Yb1 C83 C84 79.3(5) . . . . ? 
C82 C83 C84 C85 -1.4(9) . . . . ? 
Yb1 C83 C84 C85 -70.0(6) . . . . ? 
C82 C83 C84 Yb1 68.7(5) . . . . ? 
N4 Yb1 C84 C85 129.7(5) . . . . ? 
N3 Yb1 C84 C85 -77.3(5) . . . . ? 
N1 Yb1 C84 C85 -129.8(5) . . . . ? 
N2 Yb1 C84 C85 -166.3(5) . . . . ? 
C53 Yb1 C84 C85 -14.0(7) . . . . ? 
N11 Yb1 C84 C85 35.2(4) . . . . ? 
C54 Yb1 C84 C85 31.0(8) . . . . ? 
C82 Yb1 C84 C85 74.4(5) . . . . ? 
C83 Yb1 C84 C85 111.8(7) . . . . ? 
C52 Yb1 C84 C85 -1.8(6) . . . . ? 
N4 Yb1 C84 C83 17.9(5) . . . . ? 
N3 Yb1 C84 C83 170.9(5) . . . . ? 
N1 Yb1 C84 C83 118.4(5) . . . . ? 
N2 Yb1 C84 C83 81.9(4) . . . . ? 
C53 Yb1 C84 C83 -125.8(5) . . . . ? 
C85 Yb1 C84 C83 -111.8(7) . . . . ? 
N11 Yb1 C84 C83 -76.6(5) . . . . ? 
C54 Yb1 C84 C83 -80.8(7) . . . . ? 
C82 Yb1 C84 C83 -37.4(4) . . . . ? 
C52 Yb1 C84 C83 -113.6(4) . . . . ? 
C82 N11 C85 C84 -3.0(9) . . . . ? 
Yb2 N11 C85 C84 -172.4(6) . . . . ? 
Yb1 N11 C85 C84 68.4(6) . . . . ? 
C82 N11 C85 Yb1 -71.3(5) . . . . ? 
Yb2 N11 C85 Yb1 119.2(6) . . . . ? 
C83 C84 C85 N11 2.8(10) . . . . ? 
Yb1 C84 C85 N11 -68.3(6) . . . . ? 
C83 C84 C85 Yb1 71.0(6) . . . . ? 
N4 Yb1 C85 N11 55.9(5) . . . . ? 
N3 Yb1 C85 N11 -146.0(5) . . . . ? 
N1 Yb1 C85 N11 -160.7(4) . . . . ? 
N2 Yb1 C85 N11 130.0(5) . . . . ? 
C53 Yb1 C85 N11 -73.6(5) . . . . ? 
C84 Yb1 C85 N11 116.5(7) . . . . ? 
C54 Yb1 C85 N11 -45.4(6) . . . . ? 
C82 Yb1 C85 N11 38.8(4) . . . . ? 
C83 Yb1 C85 N11 78.4(5) . . . . ? 
C52 Yb1 C85 N11 -65.3(5) . . . . ? 
N4 Yb1 C85 C84 -60.6(6) . . . . ? 
N3 Yb1 C85 C84 97.6(5) . . . . ? 
N1 Yb1 C85 C84 82.9(7) . . . . ? 
N2 Yb1 C85 C84 13.5(5) . . . . ? 
C53 Yb1 C85 C84 169.9(5) . . . . ? 
N11 Yb1 C85 C84 -116.5(7) . . . . ? 
C54 Yb1 C85 C84 -161.9(5) . . . . ? 
C82 Yb1 C85 C84 -77.6(5) . . . . ? 
C83 Yb1 C85 C84 -38.1(5) . . . . ? 
C52 Yb1 C85 C84 178.3(5) . . . . ? 
C72 N10 C86 C87 157.5(7) . . . . ? 
Yb2 N10 C86 C87 4.0(9) . . . . ? 
C90 N12 C87 C88 -0.5(9) . . . . ? 
Yb2 N12 C87 C88 -178.0(5) . . . . ? 
C90 N12 C87 C86 -176.7(7) . . . . ? 
Yb2 N12 C87 C86 5.7(9) . . . . ? 
N10 C86 C87 N12 -6.8(11) . . . . ? 
N10 C86 C87 C88 178.0(8) . . . . ? 
N12 C87 C88 C89 0.0(10) . . . . ? 
C86 C87 C88 C89 175.6(9) . . . . ? 
C87 C88 C89 C90 0.5(10) . . . . ? 
C87 N12 C90 C89 0.8(10) . . . . ? 
Yb2 N12 C90 C89 177.4(6) . . . . ? 
C88 C89 C90 N12 -0.8(11) . . . . ? 
C96 C91 C92 C93 7.2(12) . . . . ? 
C101 C91 C92 C93 -171.9(8) . . . . ? 
C96 C91 C92 N13 -166.0(7) . . . . ? 
C101 C91 C92 N13 14.8(12) . . . . ? 
C111 N13 C92 C91 -131.5(8) . . . . ? 
Yb3 N13 C92 C91 68.1(9) . . . . ? 
C111 N13 C92 C93 55.0(9) . . . . ? 
Yb3 N13 C92 C93 -105.3(7) . . . . ? 
C91 C92 C93 C94 -6.6(12) . . . . ? 
N13 C92 C93 C94 166.8(8) . . . . ? 
C92 C93 C94 C95 0.7(13) . . . . ? 
C93 C94 C95 C100 -172.9(9) . . . . ? 
C93 C94 C95 C96 3.9(13) . . . . ? 
C92 C91 C96 C97 175.2(8) . . . . ? 
C101 C91 C96 C97 -5.7(13) . . . . ? 
C92 C91 C96 C95 -2.4(13) . . . . ? 
C101 C91 C96 C95 176.8(8) . . . . ? 
C94 C95 C96 C97 179.3(9) . . . . ? 
C100 C95 C96 C97 -3.7(13) . . . . ? 
C94 C95 C96 C91 -3.1(13) . . . . ? 
C100 C95 C96 C91 173.9(8) . . . . ? 
C91 C96 C97 C98 -173.4(9) . . . . ? 
C95 C96 C97 C98 4.2(14) . . . . ? 
C96 C97 C98 C99 -4.2(16) . . . . ? 
C97 C98 C99 C100 3.7(17) . . . . ? 
C98 C99 C100 C95 -3.3(17) . . . . ? 
C94 C95 C100 C99 -180.0(10) . . . . ? 
C96 C95 C100 C99 3.1(14) . . . . ? 
C92 C91 C101 C102 -82.6(10) . . . . ? 
C96 C91 C101 C102 98.3(10) . . . . ? 
C92 C91 C101 C106 103.7(9) . . . . ? 
C96 C91 C101 C106 -75.4(10) . . . . ? 
C106 C101 C102 N14 -167.9(7) . . . . ? 
C91 C101 C102 N14 18.4(12) . . . . ? 
C106 C101 C102 C103 5.1(12) . . . . ? 
C91 C101 C102 C103 -168.5(7) . . . . ? 
C116 N14 C102 C101 -136.7(8) . . . . ? 
Yb3 N14 C102 C101 66.0(10) . . . . ? 
C116 N14 C102 C103 50.2(11) . . . . ? 
Yb3 N14 C102 C103 -107.1(8) . . . . ? 
C101 C102 C103 C104 -2.8(13) . . . . ? 
N14 C102 C103 C104 170.4(8) . . . . ? 
C102 C103 C104 C105 -3.0(13) . . . . ? 
C103 C104 C105 C110 -171.3(9) . . . . ? 
C103 C104 C105 C106 6.2(13) . . . . ? 
C102 C101 C106 C107 174.5(8) . . . . ? 
C91 C101 C106 C107 -11.6(11) . . . . ? 
C102 C101 C106 C105 -1.9(11) . . . . ? 
C91 C101 C106 C105 171.9(7) . . . . ? 
C104 C105 C106 C107 179.8(8) . . . . ? 
C110 C105 C106 C107 -2.6(12) . . . . ? 
C104 C105 C106 C101 -3.7(11) . . . . ? 
C110 C105 C106 C101 173.9(7) . . . . ? 
C101 C106 C107 C108 -173.6(8) . . . . ? 
C105 C106 C107 C108 2.8(12) . . . . ? 
C106 C107 C108 C109 -0.7(13) . . . . ? 
C107 C108 C109 C110 -1.5(15) . . . . ? 
C108 C109 C110 C105 1.6(16) . . . . ? 
C104 C105 C110 C109 177.9(10) . . . . ? 
C106 C105 C110 C109 0.5(14) . . . . ? 
C92 N13 C111 C112 -168.3(6) . . . . ? 
Yb3 N13 C111 C112 -6.7(8) . . . . ? 
C115 N15 C112 C113 1.0(8) . . . . ? 
Yb3 N15 C112 C113 179.6(4) . . . . ? 
Yb4 N15 C112 C113 67.1(5) . . . . ? 
C115 N15 C112 C111 177.0(6) . . . . ? 
Yb3 N15 C112 C111 -4.5(8) . . . . ? 
Yb4 N15 C112 C111 -117.0(6) . . . . ? 
C115 N15 C112 Yb4 -66.0(4) . . . . ? 
Yb3 N15 C112 Yb4 112.5(3) . . . . ? 
N13 C111 C112 N15 7.8(10) . . . . ? 
N13 C111 C112 C113 -177.3(7) . . . . ? 
N13 C111 C112 Yb4 -85.3(7) . . . . ? 
N18 Yb4 C112 N15 35.4(4) . . . . ? 
N18 Yb4 C112 N15 -161.2(4) 2_756 . . . ? 
N17 Yb4 C112 N15 177.3(7) . . . . ? 
N17 Yb4 C112 N15 132.1(4) 2_756 . . . ? 
C114 Yb4 C112 N15 -83.7(4) 2_756 . . . ? 
C114 Yb4 C112 N15 76.9(4) . . . . ? 
C113 Yb4 C112 N15 -52.3(4) 2_756 . . . ? 
C113 Yb4 C112 N15 115.4(6) . . . . ? 
C115 Yb4 C112 N15 36.5(3) . . . . ? 
C115 Yb4 C112 N15 -83.0(4) 2_756 . . . ? 
C112 Yb4 C112 N15 -38.6(3) 2_756 . . . ? 
N18 Yb4 C112 C113 -80.0(5) . . . . ? 
N18 Yb4 C112 C113 83.4(4) 2_756 . . . ? 
N17 Yb4 C112 C113 61.8(9) . . . . ? 
N17 Yb4 C112 C113 16.6(5) 2_756 . . . ? 
C114 Yb4 C112 C113 160.8(4) 2_756 . . . ? 
C114 Yb4 C112 C113 -38.6(4) . . . . ? 
C113 Yb4 C112 C113 -167.8(3) 2_756 . . . ? 
C115 Yb4 C112 C113 -78.9(4) . . . . ? 
C115 Yb4 C112 C113 161.5(4) 2_756 . . . ? 
C112 Yb4 C112 C113 -154.1(5) 2_756 . . . ? 
N18 Yb4 C112 C111 152.7(5) . . . . ? 
N18 Yb4 C112 C111 -43.9(5) 2_756 . . . ? 
N17 Yb4 C112 C111 -65.4(10) . . . . ? 
N17 Yb4 C112 C111 -110.6(5) 2_756 . . . ? 
C114 Yb4 C112 C111 33.6(6) 2_756 . . . ? 
C114 Yb4 C112 C111 -165.8(7) . . . . ? 
C113 Yb4 C112 C111 65.0(6) 2_756 . . . ? 
C113 Yb4 C112 C111 -127.3(8) . . . . ? 
C115 Yb4 C112 C111 153.8(7) . . . . ? 
C115 Yb4 C112 C111 34.3(5) 2_756 . . . ? 
C112 Yb4 C112 C111 78.7(5) 2_756 . . . ? 
N15 C112 C113 C114 -2.1(8) . . . . ? 
C111 C112 C113 C114 -177.5(7) . . . . ? 
Yb4 C112 C113 C114 68.6(5) . . . . ? 
N15 C112 C113 Yb4 -70.8(5) . . . . ? 
C111 C112 C113 Yb4 113.9(8) . . . . ? 
N18 Yb4 C113 C112 114.6(4) . . . . ? 
N18 Yb4 C113 C112 -88.8(4) 2_756 . . . ? 
N17 Yb4 C113 C112 -157.5(4) . . . . ? 
N17 Yb4 C113 C112 -163.0(5) 2_756 . . . ? 
C114 Yb4 C113 C112 -26.6(6) 2_756 . . . ? 
C114 Yb4 C113 C112 111.5(6) . . . . ? 
C113 Yb4 C113 C112 19.2(4) 2_756 . . . ? 
C115 Yb4 C113 C112 72.8(4) . . . . ? 
C115 Yb4 C113 C112 -19.2(5) 2_756 . . . ? 
C112 Yb4 C113 C112 29.4(6) 2_756 . . . ? 
N18 Yb4 C113 C114 3.1(5) . . . . ? 
N18 Yb4 C113 C114 159.7(5) 2_756 . . . ? 
N17 Yb4 C113 C114 90.9(5) . . . . ? 
N17 Yb4 C113 C114 85.5(5) 2_756 . . . ? 
C114 Yb4 C113 C114 -138.1(6) 2_756 . . . ? 
C113 Yb4 C113 C114 -92.3(4) 2_756 . . . ? 
C115 Yb4 C113 C114 -38.8(4) . . . . ? 
C115 Yb4 C113 C114 -130.7(5) 2_756 . . . ? 
C112 Yb4 C113 C114 -82.1(5) 2_756 . . . ? 
C112 Yb4 C113 C114 -111.5(6) . . . . ? 
C112 C113 C114 C115 2.3(8) . . . . ? 
Yb4 C113 C114 C115 74.1(5) . . . . ? 
C112 C113 C114 Yb4 -71.8(5) . . . . ? 
N18 Yb4 C114 C115 73.7(5) . . . . ? 
N18 Yb4 C114 C115 -129.2(5) 2_756 . . . ? 
N17 Yb4 C114 C115 129.5(5) . . . . ? 
N17 Yb4 C114 C115 165.3(5) 2_756 . . . ? 
C114 Yb4 C114 C115 -30.1(4) 2_756 . . . ? 
C113 Yb4 C114 C115 14.7(6) 2_756 . . . ? 
C113 Yb4 C114 C115 -109.2(7) . . . . ? 
C115 Yb4 C114 C115 -47.4(6) 2_756 . . . ? 
C112 Yb4 C114 C115 1.4(5) 2_756 . . . ? 
C112 Yb4 C114 C115 -71.8(5) . . . . ? 
N18 Yb4 C114 C113 -177.1(5) . . . . ? 
N18 Yb4 C114 C113 -20.0(5) 2_756 . . . ? 
N17 Yb4 C114 C113 -121.3(5) . . . . ? 
N17 Yb4 C114 C113 -85.5(5) 2_756 . . . ? 
C114 Yb4 C114 C113 79.1(4) 2_756 . . . ? 
C113 Yb4 C114 C113 123.9(6) 2_756 . . . ? 
C115 Yb4 C114 C113 109.2(7) . . . . ? 
C115 Yb4 C114 C113 61.8(5) 2_756 . . . ? 
C112 Yb4 C114 C113 110.7(5) 2_756 . . . ? 
C112 Yb4 C114 C113 37.4(4) . . . . ? 
C112 N15 C115 C114 0.5(8) . . . . ? 
Yb3 N15 C115 C114 -177.6(5) . . . . ? 
Yb4 N15 C115 C114 -66.1(5) . . . . ? 
C112 N15 C115 Yb4 66.6(5) . . . . ? 
Yb3 N15 C115 Yb4 -111.5(5) . . . . ? 
C113 C114 C115 N15 -1.8(8) . . . . ? 
Yb4 C114 C115 N15 70.8(5) . . . . ? 
C113 C114 C115 Yb4 -72.6(5) . . . . ? 
N18 Yb4 C115 N15 142.6(4) . . . . ? 
N18 Yb4 C115 N15 -56.2(4) 2_756 . . . ? 
N17 Yb4 C115 N15 161.1(4) . . . . ? 
N17 Yb4 C115 N15 -130.7(4) 2_756 . . . ? 
C114 Yb4 C115 N15 47.1(5) 2_756 . . . ? 
C114 Yb4 C115 N15 -116.2(7) . . . . ? 
C113 Yb4 C115 N15 74.4(4) 2_756 . . . ? 
C113 Yb4 C115 N15 -76.6(4) . . . . ? 
C115 Yb4 C115 N15 25.5(3) 2_756 . . . ? 
C112 Yb4 C115 N15 65.1(4) 2_756 . . . ? 
C112 Yb4 C115 N15 -36.4(4) . . . . ? 
N18 Yb4 C115 C114 -101.1(5) . . . . ? 
N18 Yb4 C115 C114 60.1(5) 2_756 . . . ? 
N17 Yb4 C115 C114 -82.6(6) . . . . ? 
N17 Yb4 C115 C114 -14.4(5) 2_756 . . . ? 
C114 Yb4 C115 C114 163.3(3) 2_756 . . . ? 
C113 Yb4 C115 C114 -169.4(4) 2_756 . . . ? 
C113 Yb4 C115 C114 39.6(4) . . . . ? 
C115 Yb4 C115 C114 141.7(5) 2_756 . . . ? 
C112 Yb4 C115 C114 -178.6(5) 2_756 . . . ? 
C112 Yb4 C115 C114 79.8(5) . . . . ? 
C102 N14 C116 C117 -165.1(8) . . . . ? 
Yb3 N14 C116 C117 -4.6(10) . . . . ? 
C120 N16 C117 C116 179.4(8) . . . . ? 
Yb3 N16 C117 C116 -9.0(10) . . . . ? 
C120 N16 C117 C118 1.5(9) . . . . ? 
Yb3 N16 C117 C118 173.0(5) . . . . ? 
N14 C116 C117 N16 9.6(13) . . . . ? 
N14 C116 C117 C118 -172.9(8) . . . . ? 
N16 C117 C118 C119 -0.7(10) . . . . ? 
C116 C117 C118 C119 -178.4(9) . . . . ? 
C117 C118 C119 C120 -0.4(10) . . . . ? 
C117 N16 C120 C119 -1.7(9) . . . . ? 
Yb3 N16 C120 C119 -170.2(6) . . . . ? 
C118 C119 C120 N16 1.3(10) . . . . ? 
C126 C121 C122 C123 -4.6(12) . . . . ? 
C121 C121 C122 C123 179.2(8) 2_756 . . . ? 
C126 C121 C122 N17 172.1(7) . . . . ? 
C121 C121 C122 N17 -4.1(12) 2_756 . . . ? 
C131 N17 C122 C121 67.0(9) . . . . ? 
Yb4 N17 C122 C121 -88.8(8) . . . . ? 
C131 N17 C122 C123 -116.3(8) . . . . ? 
Yb4 N17 C122 C123 87.9(8) . . . . ? 
C121 C122 C123 C124 2.9(13) . . . . ? 
N17 C122 C123 C124 -173.7(8) . . . . ? 
C122 C123 C124 C125 0.6(14) . . . . ? 
C123 C124 C125 C130 172.1(11) . . . . ? 
C123 C124 C125 C126 -2.2(15) . . . . ? 
C122 C121 C126 C127 -173.7(9) . . . . ? 
C121 C121 C126 C127 2.4(13) 2_756 . . . ? 
C122 C121 C126 C125 2.9(12) . . . . ? 
C121 C121 C126 C125 179.1(8) 2_756 . . . ? 
C130 C125 C126 C121 -174.3(10) . . . . ? 
C124 C125 C126 C121 0.4(14) . . . . ? 
C130 C125 C126 C127 2.4(15) . . . . ? 
C124 C125 C126 C127 177.1(9) . . . . ? 
C121 C126 C127 C128 176.2(9) . . . . ? 
C125 C126 C127 C128 -0.4(15) . . . . ? 
C126 C127 C128 C129 -3.7(18) . . . . ? 
C127 C128 C129 C130 6(2) . . . . ? 
C128 C129 C130 C125 -4(2) . . . . ? 
C124 C125 C130 C129 -174.7(12) . . . . ? 
C126 C125 C130 C129 -0.2(19) . . . . ? 
C122 N17 C131 C132 -161.6(7) . . . . ? 
Yb4 N17 C131 C132 -2.8(9) . . . . ? 
C135 N18 C132 C133 -1.3(9) . . . . ? 
Yb4 N18 C132 C133 163.9(5) . . . . ? 
C135 N18 C132 C131 176.5(7) . . . . ? 
Yb4 N18 C132 C131 -18.3(9) . . . . ? 
N17 C131 C132 C133 -168.1(8) . . . . ? 
N17 C131 C132 N18 14.6(11) . . . . ? 
N18 C132 C133 C134 0.5(9) . . . . ? 
C131 C132 C133 C134 -177.0(8) . . . . ? 
C132 C133 C134 C135 0.5(9) . . . . ? 
C132 N18 C135 C134 1.6(9) . . . . ? 
Yb4 N18 C135 C134 -157.2(6) . . . . ? 
C133 C134 C135 N18 -1.4(9) . . . . ? 
C142 C137 C138 C139 0.0 . . . . ? 
C136 C137 C138 C139 -175.0(18) . . . . ? 
C137 C138 C139 C140 0.0 . . . . ? 
C138 C139 C140 C141 0.0 . . . . ? 
C139 C140 C141 C142 0.0 . . . . ? 
C140 C141 C142 C137 0.0 . . . . ? 
C138 C137 C142 C141 0.0 . . . . ? 
C136 C137 C142 C141 175.4(17) . . . . ? 
C148 C143 C144 C145 3(2) . . . . ? 
C143 C144 C145 C146 -7(2) . . . . ? 
C144 C145 C146 C147 5(2) . . . . ? 
C145 C146 C147 C148 1(2) . . . . ? 
C146 C147 C148 C143 -4(2) . . . . ? 
C144 C143 C148 C147 2.3(17) . . . . ? 

loop_
  _platon_squeeze_void_nr
  _platon_squeeze_void_average_x
  _platon_squeeze_void_average_y
  _platon_squeeze_void_average_z
  _platon_squeeze_void_volume
  _platon_squeeze_void_count_electrons
         1     0.000     0.072     0.000    1430.9     252.2
         2     0.500    -0.143     0.000    1430.9     252.2
         3     0.296     0.038     0.396      13.5       2.9
         4     0.704     0.038     0.603      13.5       2.7
         5     0.155     0.022     0.425       5.6       0.6
         6     0.844     0.022     0.575       5.2       0.5
         7     0.204     0.538     0.603      13.5       2.7
         8     0.796     0.538     0.396      13.5       2.9
         9     0.344     0.522     0.575       5.2       0.5
        10     0.655     0.522     0.425       5.6       0.6
_platon_squeeze_details
;
;
  
_diffrn_measured_fraction_theta_max    0.994 
_diffrn_reflns_theta_full              27.87 
_diffrn_measured_fraction_theta_full   0.994 
_refine_diff_density_max    1.631 
_refine_diff_density_min   -1.306 
_refine_diff_density_rms    0.134 

