 
data_ybtolyl
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C36 H46 N2 Yb'
_chemical_formula_sum
 'C36 H46 N2 Yb'
_chemical_formula_weight          679.79
 
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    P21/c
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y-1/2, z-1/2'
 
_cell_length_a                    11.4165(6)
_cell_length_b                    14.0703(8)
_cell_length_c                    19.8779(11)
_cell_angle_alpha                 90.00
_cell_angle_beta                  104.4130(10)
_cell_angle_gamma                 90.00
_cell_volume                      3092.6(3)
_cell_formula_units_Z             4
_cell_measurement_temperature     134(2)
_cell_measurement_reflns_used     6184
_cell_measurement_theta_min       2.2
_cell_measurement_theta_max       24.7
 
_exptl_crystal_description        block
_exptl_crystal_colour             'dark green'
_exptl_crystal_size_max           0.38
_exptl_crystal_size_mid           0.11
_exptl_crystal_size_min           0.09
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.460
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1384
_exptl_absorpt_coefficient_mu     3.050
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   0.3903
_exptl_absorpt_correction_T_max   0.7709
_exptl_absorpt_process_details    'Blessing, 1995'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       134(2)
_diffrn_radiation_wavelength      0.71069
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Bruker SMART CCD 1k'
_diffrn_measurement_method        'ω-scan'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             13484
_diffrn_reflns_av_R_equivalents   0.0491
_diffrn_reflns_av_sigmaI/netI     0.0587
_diffrn_reflns_limit_h_min        -13
_diffrn_reflns_limit_h_max        13
_diffrn_reflns_limit_k_min        -16
_diffrn_reflns_limit_k_max        14
_diffrn_reflns_limit_l_min        -22
_diffrn_reflns_limit_l_max        19
_diffrn_reflns_theta_min          2.12
_diffrn_reflns_theta_max          24.75
_reflns_number_total              5092
_reflns_number_gt                 4045
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        'Bruker SMART V.5.0.54D'
_computing_cell_refinement        'Bruker SAINT V.6.40'
_computing_data_reduction         'Bruker SAINT V.6.40'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_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)+(0.0829P)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_number_reflns          5092
_refine_ls_number_parameters      364
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.0607
_refine_ls_R_factor_gt            0.0467
_refine_ls_wR_factor_ref          0.1201
_refine_ls_wR_factor_gt           0.1121
_refine_ls_goodness_of_fit_ref    1.000
_refine_ls_restrained_S_all       1.000
_refine_ls_shift/su_max           0.000
_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 0.19648(2) 0.330681(17) 0.199307(12) 0.01475(13) Uani 1 1 d . . .
N1 N 0.2470(5) 0.2129(4) 0.2868(2) 0.0185(11) Uani 1 1 d . . .
N2 N 0.0682(5) 0.2014(4) 0.1609(3) 0.0218(12) Uani 1 1 d . . .
C22 C 0.5036(6) 0.2234(6) 0.4822(3) 0.0354(19) Uani 1 1 d . . .
C3 C 0.1396(6) 0.5123(4) 0.2160(3) 0.0203(14) Uani 1 1 d . . .
C27 C 0.3344(5) 0.2120(4) 0.3505(3) 0.0189(14) Uani 1 1 d . . .
C7 C 0.3103(5) 0.3959(4) 0.1090(3) 0.0186(14) Uani 1 1 d . . .
C9 C 0.3306(5) 0.2369(4) 0.1318(3) 0.0192(14) Uani 1 1 d . . .
C4 C 0.0306(6) 0.4689(4) 0.1786(3) 0.0195(14) Uani 1 1 d . . .
C10 C 0.4130(5) 0.2856(5) 0.1867(3) 0.0196(14) Uani 1 1 d . . .
C30 C -0.0134(6) 0.1847(4) 0.0962(3) 0.0210(14) Uani 1 1 d . . .
C14 C -0.0432(6) 0.5012(5) 0.1078(3) 0.0272(15) Uani 1 1 d . . .
H14A H -0.0579 0.5697 0.1089 0.041 Uiso 1 1 calc R . .
H14B H -0.1206 0.4674 0.0962 0.041 Uiso 1 1 calc R . .
H14C H 0.0014 0.4874 0.0727 0.041 Uiso 1 1 calc R . .
C6 C 0.4004(5) 0.3843(4) 0.1727(3) 0.0171(13) Uani 1 1 d . . .
C2 C 0.1690(6) 0.4735(4) 0.2836(3) 0.0223(15) Uani 1 1 d . . .
C11 C 0.0715(6) 0.3485(5) 0.3510(3) 0.0257(15) Uani 1 1 d . . .
H11A H 0.1470 0.3535 0.3874 0.039 Uiso 1 1 calc R . .
H11B H 0.0552 0.2815 0.3385 0.039 Uiso 1 1 calc R . .
H11C H 0.0048 0.3746 0.3682 0.039 Uiso 1 1 calc R . .
C28 C 0.1708(6) 0.1389(5) 0.2712(3) 0.0254(15) Uani 1 1 d . . .
H28 H 0.1779 0.0886 0.3038 0.030 Uiso 1 1 calc R . .
C15 C -0.1218(6) 0.3470(5) 0.2086(4) 0.0283(16) Uani 1 1 d . . .
H15A H -0.1078 0.2831 0.2284 0.042 Uiso 1 1 calc R . .
H15B H -0.1556 0.3424 0.1583 0.042 Uiso 1 1 calc R . .
H15C H -0.1788 0.3809 0.2296 0.042 Uiso 1 1 calc R . .
C1 C 0.0830(5) 0.4035(4) 0.2880(3) 0.0186(14) Uani 1 1 d . . .
C31 C -0.0444(6) 0.0938(5) 0.0688(3) 0.0302(17) Uani 1 1 d . . .
H31 H -0.0118 0.0395 0.0954 0.036 Uiso 1 1 calc R . .
C8 C 0.2696(6) 0.3045(5) 0.0846(3) 0.0221(14) Uani 1 1 d . . .
C5 C -0.0044(6) 0.4002(4) 0.2229(3) 0.0195(14) Uani 1 1 d . . .
C13 C 0.1937(6) 0.6015(5) 0.1957(3) 0.0319(18) Uani 1 1 d . . .
H13A H 0.1693 0.6558 0.2199 0.048 Uiso 1 1 calc R . .
H13B H 0.1651 0.6109 0.1454 0.048 Uiso 1 1 calc R . .
H13C H 0.2821 0.5962 0.2084 0.048 Uiso 1 1 calc R . .
C17 C 0.2802(6) 0.4864(4) 0.0669(3) 0.0285(16) Uani 1 1 d . . .
H17A H 0.3063 0.4803 0.0237 0.043 Uiso 1 1 calc R . .
H17B H 0.3221 0.5402 0.0939 0.043 Uiso 1 1 calc R . .
H17C H 0.1927 0.4973 0.0559 0.043 Uiso 1 1 calc R . .
C19 C 0.3221(7) 0.1292(4) 0.1239(4) 0.0320(17) Uani 1 1 d . . .
H19A H 0.2457 0.1123 0.0910 0.048 Uiso 1 1 calc R . .
H19B H 0.3252 0.1002 0.1691 0.048 Uiso 1 1 calc R . .
H19C H 0.3899 0.1059 0.1065 0.048 Uiso 1 1 calc R . .
C16 C 0.4810(6) 0.4600(5) 0.2143(4) 0.0303(16) Uani 1 1 d . . .
H16A H 0.4685 0.4625 0.2613 0.045 Uiso 1 1 calc R . .
H16B H 0.4610 0.5218 0.1916 0.045 Uiso 1 1 calc R . .
H16C H 0.5658 0.4447 0.2169 0.045 Uiso 1 1 calc R . .
C33 C -0.0656(6) 0.2609(5) 0.0547(3) 0.0254(15) Uani 1 1 d . . .
H33 H -0.0479 0.3237 0.0719 0.031 Uiso 1 1 calc R . .
C35 C -0.1714(6) 0.1580(5) -0.0374(3) 0.0284(16) Uani 1 1 d . . .
C29 C 0.0825(6) 0.1329(5) 0.2097(3) 0.0255(15) Uani 1 1 d . . .
H29 H 0.0306 0.0791 0.2015 0.031 Uiso 1 1 calc R . .
C36 C -0.2529(7) 0.1443(6) -0.1095(4) 0.0391(19) Uani 1 1 d . . .
H36A H -0.2449 0.0791 -0.1250 0.059 Uiso 1 1 calc R . .
H36B H -0.2295 0.1890 -0.1417 0.059 Uiso 1 1 calc R . .
H36C H -0.3370 0.1561 -0.1085 0.059 Uiso 1 1 calc R . .
C20 C 0.5099(6) 0.2392(5) 0.2415(3) 0.0318(17) Uani 1 1 d . . .
H20A H 0.5810 0.2278 0.2233 0.048 Uiso 1 1 calc R . .
H20B H 0.4800 0.1786 0.2548 0.048 Uiso 1 1 calc R . .
H20C H 0.5322 0.2809 0.2822 0.048 Uiso 1 1 calc R . .
C18 C 0.1889(6) 0.2844(5) 0.0133(3) 0.0327(17) Uani 1 1 d . . .
H18A H 0.2383 0.2788 -0.0203 0.049 Uiso 1 1 calc R . .
H18B H 0.1309 0.3365 -0.0005 0.049 Uiso 1 1 calc R . .
H18C H 0.1450 0.2248 0.0145 0.049 Uiso 1 1 calc R . .
C32 C -0.1214(6) 0.0817(5) 0.0040(3) 0.0325(17) Uani 1 1 d . . .
H32 H -0.1410 0.0190 -0.0129 0.039 Uiso 1 1 calc R . .
C26 C 0.3891(6) 0.2976(5) 0.3773(4) 0.0303(16) Uani 1 1 d . . .
H26 H 0.3720 0.3535 0.3497 0.036 Uiso 1 1 calc R . .
C25 C 0.4666(7) 0.3034(6) 0.4421(4) 0.0385(19) Uani 1 1 d . . .
H25 H 0.4957 0.3639 0.4599 0.046 Uiso 1 1 calc R . .
C24 C 0.3719(6) 0.1309(5) 0.3902(3) 0.0266(15) Uani 1 1 d . . .
H24 H 0.3401 0.0706 0.3734 0.032 Uiso 1 1 calc R . .
C12 C 0.2644(6) 0.5165(5) 0.3433(3) 0.0297(16) Uani 1 1 d . . .
H12A H 0.2729 0.4770 0.3848 0.045 Uiso 1 1 calc R . .
H12B H 0.2397 0.5807 0.3528 0.045 Uiso 1 1 calc R . .
H12C H 0.3420 0.5194 0.3306 0.045 Uiso 1 1 calc R . .
C34 C -0.1416(6) 0.2487(5) -0.0100(3) 0.0293(16) Uani 1 1 d . . .
H34 H -0.1745 0.3028 -0.0366 0.035 Uiso 1 1 calc R . .
C23 C 0.4565(7) 0.1377(6) 0.4549(4) 0.0371(19) Uani 1 1 d . . .
H23 H 0.4820 0.0813 0.4806 0.044 Uiso 1 1 calc R . .
C21 C 0.5890(7) 0.2286(8) 0.5534(4) 0.059(3) Uani 1 1 d . . .
H21A H 0.5428 0.2261 0.5888 0.089 Uiso 1 1 calc R . .
H21B H 0.6346 0.2883 0.5580 0.089 Uiso 1 1 calc R . .
H21C H 0.6453 0.1749 0.5597 0.089 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 N2 2.340(5) . ?
Yb1 N1 2.368(5) . ?
Yb1 C6 2.623(6) . ?
Yb1 C10 2.624(6) . ?
Yb1 C9 2.629(6) . ?
Yb1 C7 2.630(6) . ?
Yb1 C5 2.640(6) . ?
Yb1 C1 2.641(6) . ?
Yb1 C8 2.643(6) . ?
Yb1 C4 2.674(6) . ?
Yb1 C3 2.677(6) . ?
Yb1 C2 2.683(6) . ?
N1 C28 1.342(8) . ?
N1 C27 1.404(8) . ?
N2 C29 1.349(8) . ?
N2 C30 1.408(8) . ?
C22 C23 1.376(11) . ?
C22 C25 1.383(10) . ?
C22 C21 1.507(9) . ?
C3 C2 1.411(9) . ?
C3 C4 1.420(9) . ?
C3 C13 1.499(8) . ?
C27 C24 1.392(9) . ?
C27 C26 1.400(9) . ?
C7 C8 1.412(8) . ?
C7 C6 1.429(8) . ?
C7 C17 1.516(8) . ?
C9 C8 1.395(9) . ?
C9 C10 1.426(9) . ?
C9 C19 1.524(9) . ?
C4 C5 1.430(8) . ?
C4 C14 1.518(8) . ?
C10 C6 1.417(9) . ?
C10 C20 1.496(8) . ?
C30 C33 1.394(9) . ?
C30 C31 1.401(8) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C6 C16 1.511(8) . ?
C2 C1 1.408(9) . ?
C2 C12 1.522(9) . ?
C11 C1 1.506(8) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C28 C29 1.380(9) . ?
C28 H28 0.9500 . ?
C15 C5 1.499(9) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C1 C5 1.425(8) . ?
C31 C32 1.377(9) . ?
C31 H31 0.9500 . ?
C8 C18 1.512(8) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C33 C34 1.371(9) . ?
C33 H33 0.9500 . ?
C35 C32 1.387(10) . ?
C35 C34 1.396(9) . ?
C35 C36 1.514(10) . ?
C29 H29 0.9500 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C32 H32 0.9500 . ?
C26 C25 1.371(10) . ?
C26 H26 0.9500 . ?
C25 H25 0.9500 . ?
C24 C23 1.407(10) . ?
C24 H24 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C34 H34 0.9500 . ?
C23 H23 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 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
N2 Yb1 N1 73.36(18) . . ?
N2 Yb1 C6 132.27(18) . . ?
N1 Yb1 C6 106.47(18) . . ?
N2 Yb1 C10 107.99(19) . . ?
N1 Yb1 C10 80.70(18) . . ?
C6 Yb1 C10 31.33(19) . . ?
N2 Yb1 C9 80.81(18) . . ?
N1 Yb1 C9 87.56(18) . . ?
C6 Yb1 C9 51.88(18) . . ?
C10 Yb1 C9 31.50(19) . . ?
N2 Yb1 C7 115.08(18) . . ?
N1 Yb1 C7 132.42(18) . . ?
C6 Yb1 C7 31.57(18) . . ?
C10 Yb1 C7 51.80(19) . . ?
C9 Yb1 C7 51.46(19) . . ?
N2 Yb1 C5 81.09(18) . . ?
N1 Yb1 C5 101.07(18) . . ?
C6 Yb1 C5 141.52(19) . . ?
C10 Yb1 C5 170.8(2) . . ?
C9 Yb1 C5 156.74(19) . . ?
C7 Yb1 C5 126.21(19) . . ?
N2 Yb1 C1 98.52(19) . . ?
N1 Yb1 C1 81.46(17) . . ?
C6 Yb1 C1 129.05(19) . . ?
C10 Yb1 C1 142.01(19) . . ?
C9 Yb1 C1 168.68(19) . . ?
C7 Yb1 C1 136.7(2) . . ?
C5 Yb1 C1 31.30(18) . . ?
N2 Yb1 C8 85.23(18) . . ?
N1 Yb1 C8 117.71(19) . . ?
C6 Yb1 C8 51.64(19) . . ?
C10 Yb1 C8 51.4(2) . . ?
C9 Yb1 C8 30.69(19) . . ?
C7 Yb1 C8 31.06(18) . . ?
C5 Yb1 C8 132.8(2) . . ?
C1 Yb1 C8 160.6(2) . . ?
N2 Yb1 C4 98.8(2) . . ?
N1 Yb1 C4 130.99(17) . . ?
C6 Yb1 C4 112.94(18) . . ?
C10 Yb1 C4 144.00(19) . . ?
C9 Yb1 C4 140.05(18) . . ?
C7 Yb1 C4 95.30(18) . . ?
C5 Yb1 C4 31.22(18) . . ?
C1 Yb1 C4 51.27(18) . . ?
C8 Yb1 C4 109.40(19) . . ?
N2 Yb1 C3 129.09(19) . . ?
N1 Yb1 C3 126.83(17) . . ?
C6 Yb1 C3 90.29(18) . . ?
C10 Yb1 C3 120.39(19) . . ?
C9 Yb1 C3 137.08(18) . . ?
C7 Yb1 C3 85.86(18) . . ?
C5 Yb1 C3 51.42(19) . . ?
C1 Yb1 C3 51.13(18) . . ?
C8 Yb1 C3 112.23(19) . . ?
C4 Yb1 C3 30.77(19) . . ?
N2 Yb1 C2 128.64(19) . . ?
N1 Yb1 C2 96.34(18) . . ?
C6 Yb1 C2 99.06(19) . . ?
C10 Yb1 C2 119.99(19) . . ?
C9 Yb1 C2 150.20(19) . . ?
C7 Yb1 C2 108.61(19) . . ?
C5 Yb1 C2 50.97(19) . . ?
C1 Yb1 C2 30.66(19) . . ?
C8 Yb1 C2 139.0(2) . . ?
C4 Yb1 C2 50.48(19) . . ?
C3 Yb1 C2 30.53(18) . . ?
C28 N1 C27 118.4(5) . . ?
C28 N1 Yb1 110.4(4) . . ?
C27 N1 Yb1 131.1(4) . . ?
C29 N2 C30 118.1(5) . . ?
C29 N2 Yb1 111.6(4) . . ?
C30 N2 Yb1 130.3(4) . . ?
C23 C22 C25 116.9(6) . . ?
C23 C22 C21 120.7(7) . . ?
C25 C22 C21 122.4(8) . . ?
C2 C3 C4 107.6(5) . . ?
C2 C3 C13 124.4(6) . . ?
C4 C3 C13 125.8(6) . . ?
C2 C3 Yb1 75.0(3) . . ?
C4 C3 Yb1 74.5(3) . . ?
C13 C3 Yb1 129.6(4) . . ?
C24 C27 C26 116.4(6) . . ?
C24 C27 N1 124.6(6) . . ?
C26 C27 N1 119.0(5) . . ?
C8 C7 C6 107.7(5) . . ?
C8 C7 C17 124.4(6) . . ?
C6 C7 C17 126.8(6) . . ?
C8 C7 Yb1 75.0(3) . . ?
C6 C7 Yb1 74.0(3) . . ?
C17 C7 Yb1 126.0(4) . . ?
C8 C9 C10 108.1(5) . . ?
C8 C9 C19 126.9(6) . . ?
C10 C9 C19 124.7(6) . . ?
C8 C9 Yb1 75.2(3) . . ?
C10 C9 Yb1 74.1(3) . . ?
C19 C9 Yb1 121.4(4) . . ?
C3 C4 C5 108.1(5) . . ?
C3 C4 C14 124.6(6) . . ?
C5 C4 C14 126.7(6) . . ?
C3 C4 Yb1 74.7(3) . . ?
C5 C4 Yb1 73.1(3) . . ?
C14 C4 Yb1 124.7(4) . . ?
C6 C10 C9 107.8(5) . . ?
C6 C10 C20 126.2(6) . . ?
C9 C10 C20 125.1(6) . . ?
C6 C10 Yb1 74.3(3) . . ?
C9 C10 Yb1 74.4(3) . . ?
C20 C10 Yb1 125.4(4) . . ?
C33 C30 C31 116.3(6) . . ?
C33 C30 N2 120.0(6) . . ?
C31 C30 N2 123.7(6) . . ?
C4 C14 H14A 109.5 . . ?
C4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C10 C6 C7 107.5(5) . . ?
C10 C6 C16 124.4(5) . . ?
C7 C6 C16 127.6(6) . . ?
C10 C6 Yb1 74.4(3) . . ?
C7 C6 Yb1 74.5(3) . . ?
C16 C6 Yb1 122.9(4) . . ?
C1 C2 C3 109.0(5) . . ?
C1 C2 C12 127.1(6) . . ?
C3 C2 C12 122.9(6) . . ?
C1 C2 Yb1 73.0(3) . . ?
C3 C2 Yb1 74.5(3) . . ?
C12 C2 Yb1 127.8(4) . . ?
C1 C11 H11A 109.5 . . ?
C1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N1 C28 C29 122.7(6) . . ?
N1 C28 Yb1 45.7(3) . . ?
C29 C28 Yb1 77.1(4) . . ?
N1 C28 H28 118.6 . . ?
C29 C28 H28 118.6 . . ?
Yb1 C28 H28 164.0 . . ?
C5 C15 H15A 109.5 . . ?
C5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C2 C1 C5 107.9(5) . . ?
C2 C1 C11 128.2(6) . . ?
C5 C1 C11 123.5(6) . . ?
C2 C1 Yb1 76.3(3) . . ?
C5 C1 Yb1 74.3(3) . . ?
C11 C1 Yb1 121.0(4) . . ?
C32 C31 C30 121.1(6) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C9 C8 C7 108.9(5) . . ?
C9 C8 C18 126.0(6) . . ?
C7 C8 C18 124.4(6) . . ?
C9 C8 Yb1 74.1(3) . . ?
C7 C8 Yb1 74.0(3) . . ?
C18 C8 Yb1 125.8(4) . . ?
C1 C5 C4 107.3(5) . . ?
C1 C5 C15 125.5(6) . . ?
C4 C5 C15 126.4(6) . . ?
C1 C5 Yb1 74.4(3) . . ?
C4 C5 Yb1 75.7(3) . . ?
C15 C5 Yb1 123.8(4) . . ?
C3 C13 H13A 109.5 . . ?
C3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C7 C17 H17A 109.5 . . ?
C7 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C7 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C9 C19 H19A 109.5 . . ?
C9 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C9 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C6 C16 H16A 109.5 . . ?
C6 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C6 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C34 C33 C30 122.4(6) . . ?
C34 C33 H33 118.8 . . ?
C30 C33 H33 118.8 . . ?
C32 C35 C34 116.8(6) . . ?
C32 C35 C36 121.9(6) . . ?
C34 C35 C36 121.3(7) . . ?
N2 C29 C28 121.6(6) . . ?
N2 C29 Yb1 44.6(3) . . ?
C28 C29 Yb1 77.2(4) . . ?
N2 C29 H29 119.2 . . ?
C28 C29 H29 119.2 . . ?
Yb1 C29 H29 163.3 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C10 C20 H20A 109.5 . . ?
C10 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C8 C18 H18A 109.5 . . ?
C8 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C8 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C31 C32 C35 122.2(7) . . ?
C31 C32 H32 118.9 . . ?
C35 C32 H32 118.9 . . ?
C25 C26 C27 122.1(7) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 H26 119.0 . . ?
C26 C25 C22 121.8(7) . . ?
C26 C25 H25 119.1 . . ?
C22 C25 H25 119.1 . . ?
C27 C24 C23 120.4(7) . . ?
C27 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C2 C12 H12A 109.5 . . ?
C2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C33 C34 C35 121.2(6) . . ?
C33 C34 H34 119.4 . . ?
C35 C34 H34 119.4 . . ?
C22 C23 C24 122.2(7) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 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
N2 Yb1 N1 C28 -4.8(4) . . . . ?
C6 Yb1 N1 C28 -134.9(4) . . . . ?
C10 Yb1 N1 C28 -116.9(4) . . . . ?
C9 Yb1 N1 C28 -85.9(4) . . . . ?
C7 Yb1 N1 C28 -113.9(4) . . . . ?
C5 Yb1 N1 C28 72.3(4) . . . . ?
C1 Yb1 N1 C28 96.8(4) . . . . ?
C8 Yb1 N1 C28 -80.0(4) . . . . ?
C4 Yb1 N1 C28 82.4(5) . . . . ?
C3 Yb1 N1 C28 121.9(4) . . . . ?
C2 Yb1 N1 C28 123.7(4) . . . . ?
N2 Yb1 N1 C27 179.5(5) . . . . ?
C6 Yb1 N1 C27 49.5(5) . . . . ?
C10 Yb1 N1 C27 67.5(5) . . . . ?
C9 Yb1 N1 C27 98.4(5) . . . . ?
C7 Yb1 N1 C27 70.5(5) . . . . ?
C5 Yb1 N1 C27 -103.4(5) . . . . ?
C1 Yb1 N1 C27 -78.8(5) . . . . ?
C8 Yb1 N1 C27 104.3(5) . . . . ?
C4 Yb1 N1 C27 -93.2(5) . . . . ?
C3 Yb1 N1 C27 -53.7(5) . . . . ?
C2 Yb1 N1 C27 -52.0(5) . . . . ?
N1 Yb1 N2 C29 5.1(4) . . . . ?
C6 Yb1 N2 C29 102.5(5) . . . . ?
C10 Yb1 N2 C29 79.2(5) . . . . ?
C9 Yb1 N2 C29 95.3(4) . . . . ?
C7 Yb1 N2 C29 134.7(4) . . . . ?
C5 Yb1 N2 C29 -99.4(4) . . . . ?
C1 Yb1 N2 C29 -73.3(4) . . . . ?
C8 Yb1 N2 C29 125.9(5) . . . . ?
C4 Yb1 N2 C29 -125.2(4) . . . . ?
C3 Yb1 N2 C29 -119.2(4) . . . . ?
C2 Yb1 N2 C29 -79.7(5) . . . . ?
N1 Yb1 N2 C30 -171.8(6) . . . . ?
C6 Yb1 N2 C30 -74.4(6) . . . . ?
C10 Yb1 N2 C30 -97.7(5) . . . . ?
C9 Yb1 N2 C30 -81.6(5) . . . . ?
C7 Yb1 N2 C30 -42.2(6) . . . . ?
C5 Yb1 N2 C30 83.8(5) . . . . ?
C1 Yb1 N2 C30 109.9(5) . . . . ?
C8 Yb1 N2 C30 -51.0(5) . . . . ?
C4 Yb1 N2 C30 58.0(5) . . . . ?
C3 Yb1 N2 C30 64.0(6) . . . . ?
C2 Yb1 N2 C30 103.5(5) . . . . ?
N2 Yb1 C3 C2 101.9(4) . . . . ?
N1 Yb1 C3 C2 3.4(5) . . . . ?
C6 Yb1 C3 C2 -107.6(4) . . . . ?
C10 Yb1 C3 C2 -98.4(4) . . . . ?
C9 Yb1 C3 C2 -133.2(4) . . . . ?
C7 Yb1 C3 C2 -138.8(4) . . . . ?
C5 Yb1 C3 C2 76.5(4) . . . . ?
C1 Yb1 C3 C2 36.1(3) . . . . ?
C8 Yb1 C3 C2 -155.6(4) . . . . ?
C4 Yb1 C3 C2 113.5(5) . . . . ?
N2 Yb1 C3 C4 -11.6(4) . . . . ?
N1 Yb1 C3 C4 -110.1(4) . . . . ?
C6 Yb1 C3 C4 138.9(3) . . . . ?
C10 Yb1 C3 C4 148.0(3) . . . . ?
C9 Yb1 C3 C4 113.2(4) . . . . ?
C7 Yb1 C3 C4 107.6(4) . . . . ?
C5 Yb1 C3 C4 -37.0(3) . . . . ?
C1 Yb1 C3 C4 -77.5(4) . . . . ?
C8 Yb1 C3 C4 90.8(4) . . . . ?
C2 Yb1 C3 C4 -113.5(5) . . . . ?
N2 Yb1 C3 C13 -135.6(5) . . . . ?
N1 Yb1 C3 C13 125.9(5) . . . . ?
C6 Yb1 C3 C13 14.9(6) . . . . ?
C10 Yb1 C3 C13 24.0(6) . . . . ?
C9 Yb1 C3 C13 -10.8(7) . . . . ?
C7 Yb1 C3 C13 -16.4(6) . . . . ?
C5 Yb1 C3 C13 -161.0(7) . . . . ?
C1 Yb1 C3 C13 158.5(7) . . . . ?
C8 Yb1 C3 C13 -33.2(6) . . . . ?
C4 Yb1 C3 C13 -124.0(7) . . . . ?
C2 Yb1 C3 C13 122.5(7) . . . . ?
C28 N1 C27 C24 19.1(8) . . . . ?
Yb1 N1 C27 C24 -165.6(4) . . . . ?
C28 N1 C27 C26 -160.8(6) . . . . ?
Yb1 N1 C27 C26 14.5(8) . . . . ?
N2 Yb1 C7 C8 -17.2(4) . . . . ?
N1 Yb1 C7 C8 72.8(4) . . . . ?
C6 Yb1 C7 C8 113.9(5) . . . . ?
C10 Yb1 C7 C8 76.6(4) . . . . ?
C9 Yb1 C7 C8 36.1(4) . . . . ?
C5 Yb1 C7 C8 -114.7(4) . . . . ?
C1 Yb1 C7 C8 -154.6(4) . . . . ?
C4 Yb1 C7 C8 -119.5(4) . . . . ?
C3 Yb1 C7 C8 -148.8(4) . . . . ?
C2 Yb1 C7 C8 -169.5(4) . . . . ?
N2 Yb1 C7 C6 -131.1(3) . . . . ?
N1 Yb1 C7 C6 -41.1(4) . . . . ?
C10 Yb1 C7 C6 -37.3(3) . . . . ?
C9 Yb1 C7 C6 -77.8(4) . . . . ?
C5 Yb1 C7 C6 131.4(3) . . . . ?
C1 Yb1 C7 C6 91.5(4) . . . . ?
C8 Yb1 C7 C6 -113.9(5) . . . . ?
C4 Yb1 C7 C6 126.6(3) . . . . ?
C3 Yb1 C7 C6 97.3(4) . . . . ?
C2 Yb1 C7 C6 76.7(4) . . . . ?
N2 Yb1 C7 C17 104.7(5) . . . . ?
N1 Yb1 C7 C17 -165.3(5) . . . . ?
C6 Yb1 C7 C17 -124.2(7) . . . . ?
C10 Yb1 C7 C17 -161.5(6) . . . . ?
C9 Yb1 C7 C17 158.0(6) . . . . ?
C5 Yb1 C7 C17 7.2(6) . . . . ?
C1 Yb1 C7 C17 -32.7(6) . . . . ?
C8 Yb1 C7 C17 121.9(7) . . . . ?
C4 Yb1 C7 C17 2.4(5) . . . . ?
C3 Yb1 C7 C17 -26.9(5) . . . . ?
C2 Yb1 C7 C17 -47.6(6) . . . . ?
N2 Yb1 C9 C8 96.2(4) . . . . ?
N1 Yb1 C9 C8 169.7(4) . . . . ?
C6 Yb1 C9 C8 -77.1(4) . . . . ?
C10 Yb1 C9 C8 -114.2(5) . . . . ?
C7 Yb1 C9 C8 -36.5(3) . . . . ?
C5 Yb1 C9 C8 56.9(6) . . . . ?
C1 Yb1 C9 C8 -176.3(8) . . . . ?
C4 Yb1 C9 C8 3.4(5) . . . . ?
C3 Yb1 C9 C8 -43.7(5) . . . . ?
C2 Yb1 C9 C8 -91.8(5) . . . . ?
N2 Yb1 C9 C10 -149.6(4) . . . . ?
N1 Yb1 C9 C10 -76.1(4) . . . . ?
C6 Yb1 C9 C10 37.1(3) . . . . ?
C7 Yb1 C9 C10 77.7(4) . . . . ?
C5 Yb1 C9 C10 171.1(4) . . . . ?
C1 Yb1 C9 C10 -62.1(11) . . . . ?
C8 Yb1 C9 C10 114.2(5) . . . . ?
C4 Yb1 C9 C10 117.6(4) . . . . ?
C3 Yb1 C9 C10 70.5(4) . . . . ?
C2 Yb1 C9 C10 22.4(6) . . . . ?
N2 Yb1 C9 C19 -28.3(5) . . . . ?
N1 Yb1 C9 C19 45.2(5) . . . . ?
C6 Yb1 C9 C19 158.4(6) . . . . ?
C10 Yb1 C9 C19 121.3(6) . . . . ?
C7 Yb1 C9 C19 -161.0(6) . . . . ?
C5 Yb1 C9 C19 -67.6(7) . . . . ?
C1 Yb1 C9 C19 59.2(11) . . . . ?
C8 Yb1 C9 C19 -124.5(7) . . . . ?
C4 Yb1 C9 C19 -121.1(5) . . . . ?
C3 Yb1 C9 C19 -168.2(4) . . . . ?
C2 Yb1 C9 C19 143.7(5) . . . . ?
C2 C3 C4 C5 -2.2(7) . . . . ?
C13 C3 C4 C5 -166.0(6) . . . . ?
Yb1 C3 C4 C5 66.0(4) . . . . ?
C2 C3 C4 C14 169.8(5) . . . . ?
C13 C3 C4 C14 6.1(9) . . . . ?
Yb1 C3 C4 C14 -121.9(6) . . . . ?
C2 C3 C4 Yb1 -68.3(4) . . . . ?
C13 C3 C4 Yb1 128.0(6) . . . . ?
N2 Yb1 C4 C3 170.9(3) . . . . ?
N1 Yb1 C4 C3 95.3(4) . . . . ?
C6 Yb1 C4 C3 -45.5(4) . . . . ?
C10 Yb1 C4 C3 -51.0(5) . . . . ?
C9 Yb1 C4 C3 -103.0(4) . . . . ?
C7 Yb1 C4 C3 -72.7(4) . . . . ?
C5 Yb1 C4 C3 114.8(5) . . . . ?
C1 Yb1 C4 C3 77.0(4) . . . . ?
C8 Yb1 C4 C3 -101.1(4) . . . . ?
C2 Yb1 C4 C3 37.1(3) . . . . ?
N2 Yb1 C4 C5 56.1(4) . . . . ?
N1 Yb1 C4 C5 -19.5(5) . . . . ?
C6 Yb1 C4 C5 -160.3(3) . . . . ?
C10 Yb1 C4 C5 -165.8(4) . . . . ?
C9 Yb1 C4 C5 142.3(4) . . . . ?
C7 Yb1 C4 C5 172.5(4) . . . . ?
C1 Yb1 C4 C5 -37.8(3) . . . . ?
C8 Yb1 C4 C5 144.1(4) . . . . ?
C3 Yb1 C4 C5 -114.8(5) . . . . ?
C2 Yb1 C4 C5 -77.7(4) . . . . ?
N2 Yb1 C4 C14 -67.3(5) . . . . ?
N1 Yb1 C4 C14 -142.8(5) . . . . ?
C6 Yb1 C4 C14 76.3(5) . . . . ?
C10 Yb1 C4 C14 70.9(6) . . . . ?
C9 Yb1 C4 C14 18.9(7) . . . . ?
C7 Yb1 C4 C14 49.2(5) . . . . ?
C5 Yb1 C4 C14 -123.4(7) . . . . ?
C1 Yb1 C4 C14 -161.2(6) . . . . ?
C8 Yb1 C4 C14 20.7(6) . . . . ?
C3 Yb1 C4 C14 121.9(7) . . . . ?
C2 Yb1 C4 C14 159.0(6) . . . . ?
C8 C9 C10 C6 0.7(6) . . . . ?
C19 C9 C10 C6 175.2(5) . . . . ?
Yb1 C9 C10 C6 -67.4(4) . . . . ?
C8 C9 C10 C20 -169.3(6) . . . . ?
C19 C9 C10 C20 5.2(9) . . . . ?
Yb1 C9 C10 C20 122.6(6) . . . . ?
C8 C9 C10 Yb1 68.1(4) . . . . ?
C19 C9 C10 Yb1 -117.5(5) . . . . ?
N2 Yb1 C10 C6 145.8(3) . . . . ?
N1 Yb1 C10 C6 -145.2(4) . . . . ?
C9 Yb1 C10 C6 114.1(5) . . . . ?
C7 Yb1 C10 C6 37.6(3) . . . . ?
C1 Yb1 C10 C6 -82.3(4) . . . . ?
C8 Yb1 C10 C6 77.6(4) . . . . ?
C4 Yb1 C10 C6 9.6(5) . . . . ?
C3 Yb1 C10 C6 -17.8(4) . . . . ?
C2 Yb1 C10 C6 -53.2(4) . . . . ?
N2 Yb1 C10 C9 31.6(4) . . . . ?
N1 Yb1 C10 C9 100.6(4) . . . . ?
C6 Yb1 C10 C9 -114.1(5) . . . . ?
C7 Yb1 C10 C9 -76.5(4) . . . . ?
C1 Yb1 C10 C9 163.6(3) . . . . ?
C8 Yb1 C10 C9 -36.6(3) . . . . ?
C4 Yb1 C10 C9 -104.5(4) . . . . ?
C3 Yb1 C10 C9 -131.9(3) . . . . ?
C2 Yb1 C10 C9 -167.4(3) . . . . ?
N2 Yb1 C10 C20 -90.6(6) . . . . ?
N1 Yb1 C10 C20 -21.6(6) . . . . ?
C6 Yb1 C10 C20 123.6(7) . . . . ?
C9 Yb1 C10 C20 -122.3(7) . . . . ?
C7 Yb1 C10 C20 161.2(7) . . . . ?
C1 Yb1 C10 C20 41.3(7) . . . . ?
C8 Yb1 C10 C20 -158.9(7) . . . . ?
C4 Yb1 C10 C20 133.2(5) . . . . ?
C3 Yb1 C10 C20 105.8(6) . . . . ?
C2 Yb1 C10 C20 70.4(6) . . . . ?
C29 N2 C30 C33 156.1(6) . . . . ?
Yb1 N2 C30 C33 -27.3(8) . . . . ?
C29 N2 C30 C31 -25.7(9) . . . . ?
Yb1 N2 C30 C31 151.0(5) . . . . ?
C9 C10 C6 C7 -0.2(6) . . . . ?
C20 C10 C6 C7 169.6(6) . . . . ?
Yb1 C10 C6 C7 -67.7(4) . . . . ?
C9 C10 C6 C16 -173.1(6) . . . . ?
C20 C10 C6 C16 -3.2(9) . . . . ?
Yb1 C10 C6 C16 119.5(6) . . . . ?
C9 C10 C6 Yb1 67.5(4) . . . . ?
C20 C10 C6 Yb1 -122.7(6) . . . . ?
C8 C7 C6 C10 -0.4(6) . . . . ?
C17 C7 C6 C10 -169.1(6) . . . . ?
Yb1 C7 C6 C10 67.6(4) . . . . ?
C8 C7 C6 C16 172.2(6) . . . . ?
C17 C7 C6 C16 3.4(10) . . . . ?
Yb1 C7 C6 C16 -119.8(6) . . . . ?
C8 C7 C6 Yb1 -68.0(4) . . . . ?
C17 C7 C6 Yb1 123.2(6) . . . . ?
N2 Yb1 C6 C10 -46.3(4) . . . . ?
N1 Yb1 C6 C10 35.9(4) . . . . ?
C9 Yb1 C6 C10 -37.3(3) . . . . ?
C7 Yb1 C6 C10 -113.7(5) . . . . ?
C5 Yb1 C6 C10 169.9(3) . . . . ?
C1 Yb1 C6 C10 128.2(3) . . . . ?
C8 Yb1 C6 C10 -76.7(4) . . . . ?
C4 Yb1 C6 C10 -173.9(3) . . . . ?
C3 Yb1 C6 C10 164.7(3) . . . . ?
C2 Yb1 C6 C10 135.4(3) . . . . ?
N2 Yb1 C6 C7 67.4(4) . . . . ?
N1 Yb1 C6 C7 149.6(3) . . . . ?
C10 Yb1 C6 C7 113.7(5) . . . . ?
C9 Yb1 C6 C7 76.4(4) . . . . ?
C5 Yb1 C6 C7 -76.5(4) . . . . ?
C1 Yb1 C6 C7 -118.1(4) . . . . ?
C8 Yb1 C6 C7 37.0(3) . . . . ?
C4 Yb1 C6 C7 -60.2(4) . . . . ?
C3 Yb1 C6 C7 -81.6(4) . . . . ?
C2 Yb1 C6 C7 -111.0(3) . . . . ?
N2 Yb1 C6 C16 -167.5(5) . . . . ?
N1 Yb1 C6 C16 -85.3(5) . . . . ?
C10 Yb1 C6 C16 -121.2(6) . . . . ?
C9 Yb1 C6 C16 -158.5(6) . . . . ?
C7 Yb1 C6 C16 125.1(7) . . . . ?
C5 Yb1 C6 C16 48.6(6) . . . . ?
C1 Yb1 C6 C16 7.0(6) . . . . ?
C8 Yb1 C6 C16 162.1(6) . . . . ?
C4 Yb1 C6 C16 64.9(5) . . . . ?
C3 Yb1 C6 C16 43.5(5) . . . . ?
C2 Yb1 C6 C16 14.1(5) . . . . ?
C4 C3 C2 C1 2.6(7) . . . . ?
C13 C3 C2 C1 166.6(6) . . . . ?
Yb1 C3 C2 C1 -65.4(4) . . . . ?
C4 C3 C2 C12 -166.8(5) . . . . ?
C13 C3 C2 C12 -2.8(10) . . . . ?
Yb1 C3 C2 C12 125.3(6) . . . . ?
C4 C3 C2 Yb1 67.9(4) . . . . ?
C13 C3 C2 Yb1 -128.0(6) . . . . ?
N2 Yb1 C2 C1 12.5(4) . . . . ?
N1 Yb1 C2 C1 -61.3(4) . . . . ?
C6 Yb1 C2 C1 -169.1(4) . . . . ?
C10 Yb1 C2 C1 -144.2(3) . . . . ?
C9 Yb1 C2 C1 -157.5(4) . . . . ?
C7 Yb1 C2 C1 159.8(3) . . . . ?
C5 Yb1 C2 C1 37.9(3) . . . . ?
C8 Yb1 C2 C1 151.6(4) . . . . ?
C4 Yb1 C2 C1 78.5(4) . . . . ?
C3 Yb1 C2 C1 116.0(5) . . . . ?
N2 Yb1 C2 C3 -103.5(4) . . . . ?
N1 Yb1 C2 C3 -177.3(4) . . . . ?
C6 Yb1 C2 C3 74.9(4) . . . . ?
C10 Yb1 C2 C3 99.9(4) . . . . ?
C9 Yb1 C2 C3 86.6(5) . . . . ?
C7 Yb1 C2 C3 43.8(4) . . . . ?
C5 Yb1 C2 C3 -78.1(4) . . . . ?
C1 Yb1 C2 C3 -116.0(5) . . . . ?
C8 Yb1 C2 C3 35.6(5) . . . . ?
C4 Yb1 C2 C3 -37.4(4) . . . . ?
N2 Yb1 C2 C12 136.6(5) . . . . ?
N1 Yb1 C2 C12 62.9(5) . . . . ?
C6 Yb1 C2 C12 -45.0(6) . . . . ?
C10 Yb1 C2 C12 -20.0(6) . . . . ?
C9 Yb1 C2 C12 -33.3(7) . . . . ?
C7 Yb1 C2 C12 -76.0(6) . . . . ?
C5 Yb1 C2 C12 162.0(6) . . . . ?
C1 Yb1 C2 C12 124.2(7) . . . . ?
C8 Yb1 C2 C12 -84.3(6) . . . . ?
C4 Yb1 C2 C12 -157.3(6) . . . . ?
C3 Yb1 C2 C12 -119.9(7) . . . . ?
C27 N1 C28 C29 -179.4(6) . . . . ?
Yb1 N1 C28 C29 4.3(8) . . . . ?
C27 N1 C28 Yb1 176.3(7) . . . . ?
N2 Yb1 C28 N1 173.9(5) . . . . ?
C6 Yb1 C28 N1 53.5(5) . . . . ?
C10 Yb1 C28 N1 61.7(4) . . . . ?
C9 Yb1 C28 N1 92.7(4) . . . . ?
C7 Yb1 C28 N1 90.1(5) . . . . ?
C5 Yb1 C28 N1 -110.6(4) . . . . ?
C1 Yb1 C28 N1 -80.3(4) . . . . ?
C8 Yb1 C28 N1 110.7(4) . . . . ?
C4 Yb1 C28 N1 -115.5(4) . . . . ?
C3 Yb1 C28 N1 -78.0(5) . . . . ?
C2 Yb1 C28 N1 -61.0(4) . . . . ?
N2 Yb1 C28 C29 -2.4(4) . . . . ?
N1 Yb1 C28 C29 -176.3(7) . . . . ?
C6 Yb1 C28 C29 -122.8(4) . . . . ?
C10 Yb1 C28 C29 -114.6(4) . . . . ?
C9 Yb1 C28 C29 -83.6(4) . . . . ?
C7 Yb1 C28 C29 -86.2(5) . . . . ?
C5 Yb1 C28 C29 73.1(4) . . . . ?
C1 Yb1 C28 C29 103.4(4) . . . . ?
C8 Yb1 C28 C29 -65.6(4) . . . . ?
C4 Yb1 C28 C29 68.2(4) . . . . ?
C3 Yb1 C28 C29 105.7(4) . . . . ?
C2 Yb1 C28 C29 122.7(4) . . . . ?
C3 C2 C1 C5 -1.9(7) . . . . ?
C12 C2 C1 C5 166.9(6) . . . . ?
Yb1 C2 C1 C5 -68.2(4) . . . . ?
C3 C2 C1 C11 -174.8(6) . . . . ?
C12 C2 C1 C11 -6.0(10) . . . . ?
Yb1 C2 C1 C11 118.9(6) . . . . ?
C3 C2 C1 Yb1 66.4(4) . . . . ?
C12 C2 C1 Yb1 -124.9(6) . . . . ?
N2 Yb1 C1 C2 -170.2(4) . . . . ?
N1 Yb1 C1 C2 118.2(4) . . . . ?
C6 Yb1 C1 C2 13.9(4) . . . . ?
C10 Yb1 C1 C2 55.4(5) . . . . ?
C9 Yb1 C1 C2 104.1(10) . . . . ?
C7 Yb1 C1 C2 -28.5(5) . . . . ?
C5 Yb1 C1 C2 -113.4(5) . . . . ?
C8 Yb1 C1 C2 -70.3(7) . . . . ?
C4 Yb1 C1 C2 -75.7(4) . . . . ?
C3 Yb1 C1 C2 -35.9(3) . . . . ?
N2 Yb1 C1 C5 -56.8(4) . . . . ?
N1 Yb1 C1 C5 -128.4(4) . . . . ?
C6 Yb1 C1 C5 127.3(4) . . . . ?
C10 Yb1 C1 C5 168.9(3) . . . . ?
C9 Yb1 C1 C5 -142.5(9) . . . . ?
C7 Yb1 C1 C5 84.9(4) . . . . ?
C8 Yb1 C1 C5 43.2(8) . . . . ?
C4 Yb1 C1 C5 37.7(3) . . . . ?
C3 Yb1 C1 C5 77.5(4) . . . . ?
C2 Yb1 C1 C5 113.4(5) . . . . ?
N2 Yb1 C1 C11 63.2(5) . . . . ?
N1 Yb1 C1 C11 -8.4(5) . . . . ?
C6 Yb1 C1 C11 -112.7(5) . . . . ?
C10 Yb1 C1 C11 -71.1(6) . . . . ?
C9 Yb1 C1 C11 -22.5(13) . . . . ?
C7 Yb1 C1 C11 -155.1(5) . . . . ?
C5 Yb1 C1 C11 120.0(7) . . . . ?
C8 Yb1 C1 C11 163.2(5) . . . . ?
C4 Yb1 C1 C11 157.7(6) . . . . ?
C3 Yb1 C1 C11 -162.5(6) . . . . ?
C2 Yb1 C1 C11 -126.6(7) . . . . ?
C33 C30 C31 C32 0.7(10) . . . . ?
N2 C30 C31 C32 -177.6(6) . . . . ?
C10 C9 C8 C7 -1.0(7) . . . . ?
C19 C9 C8 C7 -175.3(5) . . . . ?
Yb1 C9 C8 C7 66.4(4) . . . . ?
C10 C9 C8 C18 169.7(6) . . . . ?
C19 C9 C8 C18 -4.6(10) . . . . ?
Yb1 C9 C8 C18 -123.0(6) . . . . ?
C10 C9 C8 Yb1 -67.3(4) . . . . ?
C19 C9 C8 Yb1 118.4(6) . . . . ?
C6 C7 C8 C9 0.8(7) . . . . ?
C17 C7 C8 C9 169.9(5) . . . . ?
Yb1 C7 C8 C9 -66.5(4) . . . . ?
C6 C7 C8 C18 -170.0(6) . . . . ?
C17 C7 C8 C18 -0.9(10) . . . . ?
Yb1 C7 C8 C18 122.7(6) . . . . ?
C6 C7 C8 Yb1 67.3(4) . . . . ?
C17 C7 C8 Yb1 -123.6(6) . . . . ?
N2 Yb1 C8 C9 -80.0(4) . . . . ?
N1 Yb1 C8 C9 -11.6(4) . . . . ?
C6 Yb1 C8 C9 77.9(4) . . . . ?
C10 Yb1 C8 C9 37.6(4) . . . . ?
C7 Yb1 C8 C9 115.6(5) . . . . ?
C5 Yb1 C8 C9 -153.2(3) . . . . ?
C1 Yb1 C8 C9 177.8(5) . . . . ?
C4 Yb1 C8 C9 -177.7(4) . . . . ?
C3 Yb1 C8 C9 149.5(4) . . . . ?
C2 Yb1 C8 C9 130.9(4) . . . . ?
N2 Yb1 C8 C7 164.4(4) . . . . ?
N1 Yb1 C8 C7 -127.2(4) . . . . ?
C6 Yb1 C8 C7 -37.6(3) . . . . ?
C10 Yb1 C8 C7 -78.0(4) . . . . ?
C9 Yb1 C8 C7 -115.6(5) . . . . ?
C5 Yb1 C8 C7 91.2(4) . . . . ?
C1 Yb1 C8 C7 62.3(7) . . . . ?
C4 Yb1 C8 C7 66.7(4) . . . . ?
C3 Yb1 C8 C7 33.9(4) . . . . ?
C2 Yb1 C8 C7 15.3(5) . . . . ?
N2 Yb1 C8 C18 43.3(6) . . . . ?
N1 Yb1 C8 C18 111.7(5) . . . . ?
C6 Yb1 C8 C18 -158.8(7) . . . . ?
C10 Yb1 C8 C18 160.9(6) . . . . ?
C9 Yb1 C8 C18 123.3(7) . . . . ?
C7 Yb1 C8 C18 -121.1(7) . . . . ?
C5 Yb1 C8 C18 -29.9(7) . . . . ?
C1 Yb1 C8 C18 -58.9(9) . . . . ?
C4 Yb1 C8 C18 -54.4(6) . . . . ?
C3 Yb1 C8 C18 -87.2(6) . . . . ?
C2 Yb1 C8 C18 -105.8(6) . . . . ?
C2 C1 C5 C4 0.5(7) . . . . ?
C11 C1 C5 C4 173.8(6) . . . . ?
Yb1 C1 C5 C4 -69.1(4) . . . . ?
C2 C1 C5 C15 -169.7(6) . . . . ?
C11 C1 C5 C15 3.6(9) . . . . ?
Yb1 C1 C5 C15 120.7(6) . . . . ?
C2 C1 C5 Yb1 69.6(4) . . . . ?
C11 C1 C5 Yb1 -117.1(6) . . . . ?
C3 C4 C5 C1 1.1(6) . . . . ?
C14 C4 C5 C1 -170.7(5) . . . . ?
Yb1 C4 C5 C1 68.2(4) . . . . ?
C3 C4 C5 C15 171.2(6) . . . . ?
C14 C4 C5 C15 -0.7(10) . . . . ?
Yb1 C4 C5 C15 -121.7(6) . . . . ?
C3 C4 C5 Yb1 -67.1(4) . . . . ?
C14 C4 C5 Yb1 121.0(6) . . . . ?
N2 Yb1 C5 C1 123.1(4) . . . . ?
N1 Yb1 C5 C1 52.2(4) . . . . ?
C6 Yb1 C5 C1 -83.1(4) . . . . ?
C9 Yb1 C5 C1 162.4(4) . . . . ?
C7 Yb1 C5 C1 -122.2(4) . . . . ?
C8 Yb1 C5 C1 -161.9(3) . . . . ?
C4 Yb1 C5 C1 -113.0(5) . . . . ?
C3 Yb1 C5 C1 -76.5(4) . . . . ?
C2 Yb1 C5 C1 -37.0(3) . . . . ?
N2 Yb1 C5 C4 -123.9(4) . . . . ?
N1 Yb1 C5 C4 165.1(4) . . . . ?
C6 Yb1 C5 C4 29.9(5) . . . . ?
C9 Yb1 C5 C4 -84.6(6) . . . . ?
C7 Yb1 C5 C4 -9.2(5) . . . . ?
C1 Yb1 C5 C4 113.0(5) . . . . ?
C8 Yb1 C5 C4 -49.0(5) . . . . ?
C3 Yb1 C5 C4 36.4(3) . . . . ?
C2 Yb1 C5 C4 75.9(4) . . . . ?
N2 Yb1 C5 C15 0.6(5) . . . . ?
N1 Yb1 C5 C15 -70.4(5) . . . . ?
C6 Yb1 C5 C15 154.4(5) . . . . ?
C9 Yb1 C5 C15 39.8(8) . . . . ?
C7 Yb1 C5 C15 115.2(5) . . . . ?
C1 Yb1 C5 C15 -122.5(7) . . . . ?
C8 Yb1 C5 C15 75.5(6) . . . . ?
C4 Yb1 C5 C15 124.5(7) . . . . ?
C3 Yb1 C5 C15 160.9(6) . . . . ?
C2 Yb1 C5 C15 -159.6(6) . . . . ?
C31 C30 C33 C34 -1.2(10) . . . . ?
N2 C30 C33 C34 177.2(6) . . . . ?
C30 N2 C29 C28 172.2(6) . . . . ?
Yb1 N2 C29 C28 -5.1(8) . . . . ?
C30 N2 C29 Yb1 177.3(7) . . . . ?
N1 C28 C29 N2 0.5(10) . . . . ?
Yb1 C28 C29 N2 3.7(6) . . . . ?
N1 C28 C29 Yb1 -3.1(6) . . . . ?
N1 Yb1 C29 N2 -173.6(5) . . . . ?
C6 Yb1 C29 N2 -99.9(5) . . . . ?
C10 Yb1 C29 N2 -107.1(4) . . . . ?
C9 Yb1 C29 N2 -81.4(4) . . . . ?
C7 Yb1 C29 N2 -57.4(5) . . . . ?
C5 Yb1 C29 N2 77.9(4) . . . . ?
C1 Yb1 C29 N2 108.7(4) . . . . ?
C8 Yb1 C29 N2 -54.9(5) . . . . ?
C4 Yb1 C29 N2 60.4(5) . . . . ?
C3 Yb1 C29 N2 82.4(5) . . . . ?
C2 Yb1 C29 N2 116.4(4) . . . . ?
N2 Yb1 C29 C28 175.5(7) . . . . ?
N1 Yb1 C29 C28 2.0(4) . . . . ?
C6 Yb1 C29 C28 75.7(4) . . . . ?
C10 Yb1 C29 C28 68.4(4) . . . . ?
C9 Yb1 C29 C28 94.1(4) . . . . ?
C7 Yb1 C29 C28 118.1(4) . . . . ?
C5 Yb1 C29 C28 -106.6(4) . . . . ?
C1 Yb1 C29 C28 -75.8(4) . . . . ?
C8 Yb1 C29 C28 120.7(4) . . . . ?
C4 Yb1 C29 C28 -124.0(4) . . . . ?
C3 Yb1 C29 C28 -102.1(4) . . . . ?
C2 Yb1 C29 C28 -68.1(4) . . . . ?
C30 C31 C32 C35 0.4(11) . . . . ?
C34 C35 C32 C31 -1.0(11) . . . . ?
C36 C35 C32 C31 178.0(7) . . . . ?
C24 C27 C26 C25 -6.2(10) . . . . ?
N1 C27 C26 C25 173.7(6) . . . . ?
C27 C26 C25 C22 5.9(11) . . . . ?
C23 C22 C25 C26 -1.6(10) . . . . ?
C21 C22 C25 C26 179.8(7) . . . . ?
C26 C27 C24 C23 2.6(9) . . . . ?
N1 C27 C24 C23 -177.3(6) . . . . ?
C30 C33 C34 C35 0.6(10) . . . . ?
C32 C35 C34 C33 0.5(10) . . . . ?
C36 C35 C34 C33 -178.5(6) . . . . ?
C25 C22 C23 C24 -1.9(10) . . . . ?
C21 C22 C23 C24 176.7(6) . . . . ?
C27 C24 C23 C22 1.3(10) . . . . ?
 
_diffrn_measured_fraction_theta_max    0.960
_diffrn_reflns_theta_full              24.75
_diffrn_measured_fraction_theta_full   0.960
_refine_diff_density_max    2.013
_refine_diff_density_min   -4.890
_refine_diff_density_rms    0.190

#=== end

 
data_ybanisyl
 
_audit_creation_method            SHELXL-97
_chemical_name_systematic
;
 ?
;
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          'C36 H46 N2 O2 Yb'
_chemical_formula_sum
 'C36 H46 N2 O2 Yb'
_chemical_formula_weight          711.79
 
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'
 '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    P21/a
 
loop_
 _symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x+1/2, y+1/2, -z'
 '-x, -y, -z'
 'x-1/2, -y-1/2, z'
 
_cell_length_a                    9.9900(9)
_cell_length_b                    30.731(3)
_cell_length_c                    10.4568(10)
_cell_angle_alpha                 90.00
_cell_angle_beta                  97.9780(10)
_cell_angle_gamma                 90.00
_cell_volume                      3179.2(5)
_cell_formula_units_Z             4
_cell_measurement_temperature     144(2)
_cell_measurement_reflns_used     2640
_cell_measurement_theta_min       2.4
_cell_measurement_theta_max       23.1
 
_exptl_crystal_description        block
_exptl_crystal_colour             'dark green'
_exptl_crystal_size_max           0.19
_exptl_crystal_size_mid           0.13
_exptl_crystal_size_min           0.04
_exptl_crystal_density_meas       ?
_exptl_crystal_density_diffrn     1.487
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000              1448
_exptl_absorpt_coefficient_mu     2.975
_exptl_absorpt_correction_type    'multi-scan'
_exptl_absorpt_correction_T_min   0.6018
_exptl_absorpt_correction_T_max   0.8903
_exptl_absorpt_process_details    'Blessing, 1995'
 
_exptl_special_details
;
 ?
;
 
_diffrn_ambient_temperature       144(2)
_diffrn_radiation_wavelength      0.71069
_diffrn_radiation_type            MoK\a
_diffrn_radiation_source          'fine-focus sealed tube'
_diffrn_radiation_monochromator   graphite
_diffrn_measurement_device_type   'Bruker SMART CCD 1k'
_diffrn_measurement_method        'ω-scan'
_diffrn_detector_area_resol_mean  ?
_diffrn_standards_number          ?
_diffrn_standards_interval_count  ?
_diffrn_standards_interval_time   ?
_diffrn_standards_decay_%         ?
_diffrn_reflns_number             14042
_diffrn_reflns_av_R_equivalents   0.0886
_diffrn_reflns_av_sigmaI/netI     0.1179
_diffrn_reflns_limit_h_min        -7
_diffrn_reflns_limit_h_max        11
_diffrn_reflns_limit_k_min        -36
_diffrn_reflns_limit_k_max        34
_diffrn_reflns_limit_l_min        -11
_diffrn_reflns_limit_l_max        12
_diffrn_reflns_theta_min          1.97
_diffrn_reflns_theta_max          24.73
_reflns_number_total              5234
_reflns_number_gt                 3484
_reflns_threshold_expression      >2sigma(I)
 
_computing_data_collection        'Bruker SMART V.5.0.54D'
_computing_cell_refinement        'Bruker SAINT V.6.40'
_computing_data_reduction         'Bruker SAINT V.6.40'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
 
_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)+(0.0520P)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_number_reflns          5234
_refine_ls_number_parameters      382
_refine_ls_number_restraints      0
_refine_ls_R_factor_all           0.1000
_refine_ls_R_factor_gt            0.0542
_refine_ls_wR_factor_ref          0.1261
_refine_ls_wR_factor_gt           0.1108
_refine_ls_goodness_of_fit_ref    0.988
_refine_ls_restrained_S_all       0.988
_refine_ls_shift/su_max           0.000
_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
C1 C 0.0659(13) 0.0478(4) 0.6174(9) 0.042(3) Uani 1 1 d . . .
C2 C 0.1927(14) 0.0376(3) 0.5856(12) 0.056(4) Uani 1 1 d . . .
C3 C 0.2258(10) 0.0666(4) 0.4902(11) 0.036(3) Uani 1 1 d . . .
C4 C 0.1162(11) 0.0942(3) 0.4633(9) 0.030(3) Uani 1 1 d . . .
C5 C 0.0182(10) 0.0836(3) 0.5406(9) 0.030(3) Uani 1 1 d . . .
C6 C 0.3438(10) 0.0904(3) 0.9347(8) 0.026(2) Uani 1 1 d . . .
C7 C 0.4313(10) 0.0771(3) 0.8490(9) 0.027(2) Uani 1 1 d . . .
C8 C 0.4824(9) 0.1146(3) 0.7964(8) 0.026(2) Uani 1 1 d . . .
C9 C 0.4256(10) 0.1508(3) 0.8475(8) 0.024(2) Uani 1 1 d . . .
C10 C 0.3391(9) 0.1356(3) 0.9349(8) 0.024(2) Uani 1 1 d . . .
C11 C -0.017(2) 0.0187(5) 0.6946(11) 0.129(9) Uani 1 1 d . . .
H11A H -0.0621 -0.0038 0.6379 0.193 Uiso 1 1 calc R . .
H11B H -0.0844 0.0362 0.7307 0.193 Uiso 1 1 calc R . .
H11C H 0.0434 0.0049 0.7651 0.193 Uiso 1 1 calc R . .
C12 C 0.2696(19) -0.0046(4) 0.6250(17) 0.156(10) Uani 1 1 d . . .
H12A H 0.2776 -0.0083 0.7188 0.234 Uiso 1 1 calc R . .
H12B H 0.3601 -0.0031 0.5990 0.234 Uiso 1 1 calc R . .
H12C H 0.2204 -0.0294 0.5822 0.234 Uiso 1 1 calc R . .
C13 C 0.3430(13) 0.0626(5) 0.4157(14) 0.094(6) Uani 1 1 d . . .
H13A H 0.3342 0.0356 0.3650 0.141 Uiso 1 1 calc R . .
H13B H 0.4274 0.0619 0.4758 0.141 Uiso 1 1 calc R . .
H13C H 0.3440 0.0875 0.3575 0.141 Uiso 1 1 calc R . .
C14 C 0.0933(14) 0.1279(4) 0.3558(10) 0.070(5) Uani 1 1 d . . .
H14A H 0.1797 0.1349 0.3262 0.105 Uiso 1 1 calc R . .
H14B H 0.0548 0.1543 0.3883 0.105 Uiso 1 1 calc R . .
H14C H 0.0307 0.1161 0.2835 0.105 Uiso 1 1 calc R . .
C15 C -0.1185(12) 0.1049(4) 0.5335(13) 0.079(5) Uani 1 1 d . . .
H15A H -0.1728 0.0977 0.4508 0.119 Uiso 1 1 calc R . .
H15B H -0.1073 0.1365 0.5409 0.119 Uiso 1 1 calc R . .
H15C H -0.1644 0.0942 0.6044 0.119 Uiso 1 1 calc R . .
C16 C 0.4627(10) 0.1978(3) 0.8292(9) 0.030(3) Uani 1 1 d . . .
H16A H 0.5222 0.2079 0.9058 0.045 Uiso 1 1 calc R . .
H16B H 0.3804 0.2155 0.8168 0.045 Uiso 1 1 calc R . .
H16C H 0.5095 0.2003 0.7532 0.045 Uiso 1 1 calc R . .
C17 C 0.6007(10) 0.1135(4) 0.7157(9) 0.040(3) Uani 1 1 d . . .
H17A H 0.6245 0.1433 0.6942 0.060 Uiso 1 1 calc R . .
H17B H 0.5735 0.0971 0.6360 0.060 Uiso 1 1 calc R . .
H17C H 0.6791 0.0994 0.7658 0.060 Uiso 1 1 calc R . .
C18 C 0.4929(11) 0.0324(3) 0.8430(11) 0.046(3) Uani 1 1 d . . .
H18A H 0.5173 0.0275 0.7566 0.069 Uiso 1 1 calc R . .
H18B H 0.4273 0.0104 0.8614 0.069 Uiso 1 1 calc R . .
H18C H 0.5741 0.0303 0.9072 0.069 Uiso 1 1 calc R . .
C19 C 0.2836(11) 0.0602(3) 1.0282(9) 0.043(3) Uani 1 1 d . . .
H19A H 0.3541 0.0518 1.0986 0.065 Uiso 1 1 calc R . .
H19B H 0.2473 0.0341 0.9820 0.065 Uiso 1 1 calc R . .
H19C H 0.2107 0.0753 1.0639 0.065 Uiso 1 1 calc R . .
C20 C 0.2698(10) 0.1653(3) 1.0219(8) 0.033(3) Uani 1 1 d . . .
H20A H 0.1975 0.1492 1.0556 0.049 Uiso 1 1 calc R . .
H20B H 0.2312 0.1904 0.9723 0.049 Uiso 1 1 calc R . .
H20C H 0.3359 0.1753 1.0940 0.049 Uiso 1 1 calc R . .
C21 C 0.5236(12) 0.2624(3) 0.1583(9) 0.045(3) Uani 1 1 d . . .
H21A H 0.4294 0.2634 0.1170 0.067 Uiso 1 1 calc R . .
H21B H 0.5837 0.2623 0.0918 0.067 Uiso 1 1 calc R . .
H21C H 0.5430 0.2880 0.2138 0.067 Uiso 1 1 calc R . .
C22 C 0.4617(9) 0.2180(3) 0.3279(8) 0.022(2) Uani 1 1 d . . .
C23 C 0.4829(10) 0.1800(3) 0.4000(9) 0.033(3) Uani 1 1 d . . .
H23 H 0.5532 0.1606 0.3852 0.040 Uiso 1 1 calc R . .
C24 C 0.4025(10) 0.1705(3) 0.4923(9) 0.029(2) Uani 1 1 d . . .
H24 H 0.4198 0.1447 0.5418 0.035 Uiso 1 1 calc R . .
C25 C 0.2967(9) 0.1973(3) 0.5161(8) 0.018(2) Uani 1 1 d . . .
C26 C 0.2800(9) 0.2357(3) 0.4471(9) 0.029(2) Uani 1 1 d . . .
H26 H 0.2120 0.2556 0.4646 0.034 Uiso 1 1 calc R . .
C27 C 0.3612(10) 0.2461(3) 0.3514(9) 0.032(3) Uani 1 1 d . . .
H27 H 0.3464 0.2723 0.3035 0.038 Uiso 1 1 calc R . .
C28 C 0.1149(10) 0.2069(3) 0.6383(9) 0.033(3) Uani 1 1 d . . .
H28 H 0.1009 0.2351 0.6020 0.039 Uiso 1 1 calc R . .
C29 C 0.0316(10) 0.1918(3) 0.7237(9) 0.028(2) Uani 1 1 d . . .
H29 H -0.0386 0.2101 0.7455 0.033 Uiso 1 1 calc R . .
C30 C -0.0372(9) 0.1391(3) 0.8662(8) 0.021(2) Uani 1 1 d . . .
C31 C -0.0245(10) 0.0957(3) 0.9070(9) 0.030(2) Uani 1 1 d . . .
H31 H 0.0396 0.0774 0.8742 0.036 Uiso 1 1 calc R . .
C32 C -0.1030(10) 0.0788(3) 0.9936(10) 0.034(3) Uani 1 1 d . . .
H32 H -0.0921 0.0492 1.0195 0.040 Uiso 1 1 calc R . .
C33 C -0.1963(9) 0.1040(3) 1.0427(9) 0.024(2) Uani 1 1 d . . .
C34 C -0.2088(10) 0.1466(3) 1.0058(9) 0.029(2) Uani 1 1 d . . .
H34 H -0.2724 0.1645 1.0407 0.035 Uiso 1 1 calc R . .
C35 C -0.1311(9) 0.1647(3) 0.9186(8) 0.024(2) Uani 1 1 d . . .
H35 H -0.1421 0.1944 0.8947 0.028 Uiso 1 1 calc R . .
C36 C -0.3684(10) 0.1094(3) 1.1788(9) 0.038(3) Uani 1 1 d . . .
H36A H -0.3244 0.1348 1.2228 0.057 Uiso 1 1 calc R . .
H36B H -0.4104 0.0918 1.2407 0.057 Uiso 1 1 calc R . .
H36C H -0.4379 0.1190 1.1091 0.057 Uiso 1 1 calc R . .
N1 N 0.2149(7) 0.1821(2) 0.6062(7) 0.0223(18) Uani 1 1 d . . .
N2 N 0.0474(7) 0.1521(2) 0.7764(7) 0.0198(17) Uani 1 1 d . . .
O1 O 0.5450(7) 0.2240(2) 0.2342(6) 0.0316(17) Uani 1 1 d . . .
O2 O -0.2709(6) 0.0840(2) 1.1264(6) 0.0342(18) Uani 1 1 d . . .
Yb1 Yb 0.22258(4) 0.113257(12) 0.70201(4) 0.01722(14) Uani 1 1 d . . .
 
 
_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
C1 C2 1.390(17) . ?
C1 C5 1.404(14) . ?
C1 C11 1.523(15) . ?
C1 Yb1 2.625(10) . ?
C2 C3 1.412(16) . ?
C2 C12 1.534(15) . ?
C2 Yb1 2.622(10) . ?
C3 C4 1.382(14) . ?
C3 C13 1.499(15) . ?
C3 Yb1 2.642(10) . ?
C4 C5 1.392(14) . ?
C4 C14 1.522(14) . ?
C4 Yb1 2.640(9) . ?
C5 C15 1.507(14) . ?
C5 Yb1 2.625(9) . ?
C6 C10 1.390(12) . ?
C6 C7 1.397(13) . ?
C6 C19 1.532(13) . ?
C6 Yb1 2.657(9) . ?
C7 C8 1.402(13) . ?
C7 C18 1.511(12) . ?
C7 Yb1 2.656(9) . ?
C8 C9 1.390(12) . ?
C8 C17 1.544(13) . ?
C8 Yb1 2.646(9) . ?
C9 C10 1.421(13) . ?
C9 C16 1.507(12) . ?
C9 Yb1 2.628(9) . ?
C10 C20 1.521(12) . ?
C10 Yb1 2.640(8) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 O1 1.422(11) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C27 1.370(13) . ?
C22 O1 1.384(10) . ?
C22 C23 1.390(12) . ?
C23 C24 1.370(12) . ?
C23 H23 0.9500 . ?
C24 C25 1.388(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.381(12) . ?
C25 N1 1.410(11) . ?
C26 C27 1.411(13) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 N1 1.335(11) . ?
C28 C29 1.382(13) . ?
C28 Yb1 3.111(10) . ?
C28 H28 0.9500 . ?
C29 N2 1.339(11) . ?
C29 Yb1 3.105(10) . ?
C29 H29 0.9500 . ?
C30 C35 1.392(12) . ?
C30 C31 1.402(12) . ?
C30 N2 1.406(11) . ?
C31 C32 1.379(13) . ?
C31 H31 0.9500 . ?
C32 C33 1.366(12) . ?
C32 H32 0.9500 . ?
C33 C34 1.367(12) . ?
C33 O2 1.371(11) . ?
C34 C35 1.392(12) . ?
C34 H34 0.9500 . ?
C35 H35 0.9500 . ?
C36 O2 1.417(11) . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
N1 Yb1 2.337(7) . ?
N2 Yb1 2.339(7) . ?
 
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
C2 C1 C5 106.8(10) . . ?
C2 C1 C11 124.9(14) . . ?
C5 C1 C11 126.7(14) . . ?
C2 C1 Yb1 74.5(6) . . ?
C5 C1 Yb1 74.5(6) . . ?
C11 C1 Yb1 127.8(7) . . ?
C1 C2 C3 109.7(10) . . ?
C1 C2 C12 124.6(15) . . ?
C3 C2 C12 124.5(15) . . ?
C1 C2 Yb1 74.7(6) . . ?
C3 C2 Yb1 75.2(6) . . ?
C12 C2 Yb1 127.2(8) . . ?
C4 C3 C2 105.9(10) . . ?
C4 C3 C13 126.8(12) . . ?
C2 C3 C13 126.2(12) . . ?
C4 C3 Yb1 74.7(6) . . ?
C2 C3 Yb1 73.7(6) . . ?
C13 C3 Yb1 125.6(7) . . ?
C3 C4 C5 109.8(9) . . ?
C3 C4 C14 126.9(11) . . ?
C5 C4 C14 122.9(10) . . ?
C3 C4 Yb1 74.9(6) . . ?
C5 C4 Yb1 74.1(5) . . ?
C14 C4 Yb1 123.2(7) . . ?
C4 C5 C1 107.8(10) . . ?
C4 C5 C15 125.1(10) . . ?
C1 C5 C15 126.9(11) . . ?
C4 C5 Yb1 75.2(6) . . ?
C1 C5 Yb1 74.5(6) . . ?
C15 C5 Yb1 120.0(7) . . ?
C10 C6 C7 108.5(9) . . ?
C10 C6 C19 126.1(9) . . ?
C7 C6 C19 124.6(9) . . ?
C10 C6 Yb1 74.1(5) . . ?
C7 C6 Yb1 74.7(5) . . ?
C19 C6 Yb1 125.1(6) . . ?
C6 C7 C8 107.8(8) . . ?
C6 C7 C18 126.0(9) . . ?
C8 C7 C18 123.9(10) . . ?
C6 C7 Yb1 74.8(6) . . ?
C8 C7 Yb1 74.3(5) . . ?
C18 C7 Yb1 130.4(7) . . ?
C9 C8 C7 108.5(8) . . ?
C9 C8 C17 127.7(9) . . ?
C7 C8 C17 122.9(9) . . ?
C9 C8 Yb1 74.0(5) . . ?
C7 C8 Yb1 75.0(5) . . ?
C17 C8 Yb1 125.5(6) . . ?
C8 C9 C10 107.5(8) . . ?
C8 C9 C16 126.7(9) . . ?
C10 C9 C16 125.3(8) . . ?
C8 C9 Yb1 75.5(5) . . ?
C10 C9 Yb1 74.8(5) . . ?
C16 C9 Yb1 122.0(6) . . ?
C6 C10 C9 107.7(9) . . ?
C6 C10 C20 128.1(9) . . ?
C9 C10 C20 123.8(9) . . ?
C6 C10 Yb1 75.5(5) . . ?
C9 C10 Yb1 73.9(5) . . ?
C20 C10 Yb1 121.9(6) . . ?
C1 C11 H11A 109.5 . . ?
C1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C2 C12 H12A 109.5 . . ?
C2 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C2 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C3 C13 H13A 109.5 . . ?
C3 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C3 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C4 C14 H14A 109.5 . . ?
C4 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C4 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C5 C15 H15A 109.5 . . ?
C5 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C5 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C9 C16 H16A 109.5 . . ?
C9 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C9 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C8 C17 H17A 109.5 . . ?
C8 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C8 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C7 C18 H18A 109.5 . . ?
C7 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C7 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C6 C19 H19A 109.5 . . ?
C6 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C6 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C10 C20 H20A 109.5 . . ?
C10 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C10 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
O1 C21 H21A 109.5 . . ?
O1 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
O1 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C27 C22 O1 124.8(8) . . ?
C27 C22 C23 119.5(9) . . ?
O1 C22 C23 115.7(8) . . ?
C24 C23 C22 120.1(9) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C25 122.4(9) . . ?
C23 C24 H24 118.8 . . ?
C25 C24 H24 118.8 . . ?
C26 C25 C24 116.9(8) . . ?
C26 C25 N1 126.4(8) . . ?
C24 C25 N1 116.8(8) . . ?
C25 C26 C27 121.7(9) . . ?
C25 C26 H26 119.2 . . ?
C27 C26 H26 119.2 . . ?
C22 C27 C26 119.5(9) . . ?
C22 C27 H27 120.3 . . ?
C26 C27 H27 120.3 . . ?
N1 C28 C29 120.6(9) . . ?
C29 C28 Yb1 76.9(6) . . ?
N1 C28 H28 119.7 . . ?
C29 C28 H28 119.7 . . ?
Yb1 C28 H28 163.4 . . ?
N2 C29 C28 121.6(9) . . ?
C28 C29 Yb1 77.4(6) . . ?
N2 C29 H29 119.2 . . ?
C28 C29 H29 119.2 . . ?
Yb1 C29 H29 163.4 . . ?
C35 C30 C31 117.1(8) . . ?
C35 C30 N2 127.0(9) . . ?
C31 C30 N2 115.9(8) . . ?
C32 C31 C30 121.5(9) . . ?
C32 C31 H31 119.2 . . ?
C30 C31 H31 119.2 . . ?
C33 C32 C31 120.9(9) . . ?
C33 C32 H32 119.6 . . ?
C31 C32 H32 119.6 . . ?
C32 C33 C34 118.6(9) . . ?
C32 C33 O2 116.4(8) . . ?
C34 C33 O2 125.1(8) . . ?
C33 C34 C35 121.9(9) . . ?
C33 C34 H34 119.0 . . ?
C35 C34 H34 119.0 . . ?
C30 C35 C34 120.0(9) . . ?
C30 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
O2 C36 H36A 109.5 . . ?
O2 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
O2 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C28 N1 C25 120.1(8) . . ?
C28 N1 Yb1 113.0(6) . . ?
C25 N1 Yb1 126.8(6) . . ?
C29 N2 C30 119.1(7) . . ?
C29 N2 Yb1 112.3(6) . . ?
C30 N2 Yb1 128.6(6) . . ?
C22 O1 C21 116.5(8) . . ?
C33 O2 C36 117.6(7) . . ?
N1 Yb1 N2 72.5(2) . . ?
N1 Yb1 C2 127.5(3) . . ?
N2 Yb1 C2 124.4(4) . . ?
N1 Yb1 C1 124.5(3) . . ?
N2 Yb1 C1 93.7(4) . . ?
C2 Yb1 C1 30.7(4) . . ?
N1 Yb1 C5 93.6(3) . . ?
N2 Yb1 C5 80.8(3) . . ?
C2 Yb1 C5 50.6(3) . . ?
C1 Yb1 C5 31.0(3) . . ?
N1 Yb1 C9 80.0(3) . . ?
N2 Yb1 C9 97.8(3) . . ?
C2 Yb1 C9 133.4(3) . . ?
C1 Yb1 C9 155.2(3) . . ?
C5 Yb1 C9 173.6(3) . . ?
N1 Yb1 C4 79.1(3) . . ?
N2 Yb1 C4 101.9(3) . . ?
C2 Yb1 C4 50.2(3) . . ?
C1 Yb1 C4 50.8(3) . . ?
C5 Yb1 C4 30.6(3) . . ?
C9 Yb1 C4 145.3(3) . . ?
N1 Yb1 C10 98.2(3) . . ?
N2 Yb1 C10 79.3(3) . . ?
C2 Yb1 C10 131.8(3) . . ?
C1 Yb1 C10 132.6(3) . . ?
C5 Yb1 C10 152.6(3) . . ?
C9 Yb1 C10 31.3(3) . . ?
C4 Yb1 C10 176.5(3) . . ?
N1 Yb1 C3 97.8(3) . . ?
N2 Yb1 C3 130.7(3) . . ?
C2 Yb1 C3 31.1(4) . . ?
C1 Yb1 C3 51.6(3) . . ?
C5 Yb1 C3 51.0(3) . . ?
C9 Yb1 C3 128.7(3) . . ?
C4 Yb1 C3 30.3(3) . . ?
C10 Yb1 C3 149.3(3) . . ?
N1 Yb1 C8 96.8(3) . . ?
N2 Yb1 C8 127.5(3) . . ?
C2 Yb1 C8 103.3(4) . . ?
C1 Yb1 C8 130.2(4) . . ?
C5 Yb1 C8 151.7(3) . . ?
C9 Yb1 C8 30.6(3) . . ?
C4 Yb1 C8 127.0(3) . . ?
C10 Yb1 C8 50.8(3) . . ?
C3 Yb1 C8 101.3(3) . . ?
N1 Yb1 C7 127.1(3) . . ?
N2 Yb1 C7 125.8(3) . . ?
C2 Yb1 C7 85.9(3) . . ?
C1 Yb1 C7 105.0(3) . . ?
C5 Yb1 C7 134.8(3) . . ?
C9 Yb1 C7 50.8(3) . . ?
C4 Yb1 C7 129.4(3) . . ?
C10 Yb1 C7 50.6(3) . . ?
C3 Yb1 C7 99.1(3) . . ?
C8 Yb1 C7 30.7(3) . . ?
N1 Yb1 C6 127.9(3) . . ?
N2 Yb1 C6 95.6(3) . . ?
C2 Yb1 C6 101.5(3) . . ?
C1 Yb1 C6 106.3(3) . . ?
C5 Yb1 C6 135.4(3) . . ?
C9 Yb1 C6 50.9(3) . . ?
C4 Yb1 C6 151.6(3) . . ?
C10 Yb1 C6 30.4(3) . . ?
C3 Yb1 C6 124.6(3) . . ?
C8 Yb1 C6 50.5(3) . . ?
C7 Yb1 C6 30.5(3) . . ?
 
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
C5 C1 C2 C3 0.4(12) . . . . ?
C11 C1 C2 C3 166.6(9) . . . . ?
Yb1 C1 C2 C3 -67.8(7) . . . . ?
C5 C1 C2 C12 -166.9(10) . . . . ?
C11 C1 C2 C12 -0.7(17) . . . . ?
Yb1 C1 C2 C12 125.0(11) . . . . ?
C5 C1 C2 Yb1 68.1(7) . . . . ?
C11 C1 C2 Yb1 -125.7(10) . . . . ?
C1 C2 C3 C4 -0.9(12) . . . . ?
C12 C2 C3 C4 166.4(10) . . . . ?
Yb1 C2 C3 C4 -68.3(7) . . . . ?
C1 C2 C3 C13 -170.1(10) . . . . ?
C12 C2 C3 C13 -2.8(17) . . . . ?
Yb1 C2 C3 C13 122.5(10) . . . . ?
C1 C2 C3 Yb1 67.5(7) . . . . ?
C12 C2 C3 Yb1 -125.3(11) . . . . ?
C2 C3 C4 C5 1.1(12) . . . . ?
C13 C3 C4 C5 170.2(10) . . . . ?
Yb1 C3 C4 C5 -66.5(7) . . . . ?
C2 C3 C4 C14 -172.0(10) . . . . ?
C13 C3 C4 C14 -2.9(17) . . . . ?
Yb1 C3 C4 C14 120.4(10) . . . . ?
C2 C3 C4 Yb1 67.6(7) . . . . ?
C13 C3 C4 Yb1 -123.3(11) . . . . ?
C3 C4 C5 C1 -0.9(12) . . . . ?
C14 C4 C5 C1 172.5(9) . . . . ?
Yb1 C4 C5 C1 -67.9(7) . . . . ?
C3 C4 C5 C15 -176.5(10) . . . . ?
C14 C4 C5 C15 -3.0(16) . . . . ?
Yb1 C4 C5 C15 116.5(10) . . . . ?
C3 C4 C5 Yb1 67.0(7) . . . . ?
C14 C4 C5 Yb1 -119.5(9) . . . . ?
C2 C1 C5 C4 0.3(11) . . . . ?
C11 C1 C5 C4 -165.5(10) . . . . ?
Yb1 C1 C5 C4 68.5(7) . . . . ?
C2 C1 C5 C15 175.8(10) . . . . ?
C11 C1 C5 C15 9.9(17) . . . . ?
Yb1 C1 C5 C15 -116.1(10) . . . . ?
C2 C1 C5 Yb1 -68.2(7) . . . . ?
C11 C1 C5 Yb1 126.0(11) . . . . ?
C10 C6 C7 C8 0.6(11) . . . . ?
C19 C6 C7 C8 -170.0(8) . . . . ?
Yb1 C6 C7 C8 67.6(7) . . . . ?
C10 C6 C7 C18 163.8(9) . . . . ?
C19 C6 C7 C18 -6.8(16) . . . . ?
Yb1 C6 C7 C18 -129.2(10) . . . . ?
C10 C6 C7 Yb1 -67.0(7) . . . . ?
C19 C6 C7 Yb1 122.4(9) . . . . ?
C6 C7 C8 C9 -0.9(10) . . . . ?
C18 C7 C8 C9 -164.5(9) . . . . ?
Yb1 C7 C8 C9 67.0(6) . . . . ?
C6 C7 C8 C17 169.2(8) . . . . ?
C18 C7 C8 C17 5.6(14) . . . . ?
Yb1 C7 C8 C17 -122.9(8) . . . . ?
C6 C7 C8 Yb1 -67.9(7) . . . . ?
C18 C7 C8 Yb1 128.5(9) . . . . ?
C7 C8 C9 C10 0.9(10) . . . . ?
C17 C8 C9 C10 -168.6(8) . . . . ?
Yb1 C8 C9 C10 68.6(6) . . . . ?
C7 C8 C9 C16 172.9(9) . . . . ?
C17 C8 C9 C16 3.4(15) . . . . ?
Yb1 C8 C9 C16 -119.4(9) . . . . ?
C7 C8 C9 Yb1 -67.7(6) . . . . ?
C17 C8 C9 Yb1 122.8(9) . . . . ?
C7 C6 C10 C9 0.0(11) . . . . ?
C19 C6 C10 C9 170.4(9) . . . . ?
Yb1 C6 C10 C9 -67.4(6) . . . . ?
C7 C6 C10 C20 -173.2(8) . . . . ?
C19 C6 C10 C20 -2.8(16) . . . . ?
Yb1 C6 C10 C20 119.4(9) . . . . ?
C7 C6 C10 Yb1 67.4(7) . . . . ?
C19 C6 C10 Yb1 -122.2(10) . . . . ?
C8 C9 C10 C6 -0.5(10) . . . . ?
C16 C9 C10 C6 -172.7(8) . . . . ?
Yb1 C9 C10 C6 68.5(6) . . . . ?
C8 C9 C10 C20 173.0(8) . . . . ?
C16 C9 C10 C20 0.9(14) . . . . ?
Yb1 C9 C10 C20 -118.0(8) . . . . ?
C8 C9 C10 Yb1 -69.0(6) . . . . ?
C16 C9 C10 Yb1 118.8(9) . . . . ?
C27 C22 C23 C24 0.9(15) . . . . ?
O1 C22 C23 C24 -177.9(8) . . . . ?
C22 C23 C24 C25 1.3(15) . . . . ?
C23 C24 C25 C26 -3.6(15) . . . . ?
C23 C24 C25 N1 175.0(9) . . . . ?
C24 C25 C26 C27 3.7(14) . . . . ?
N1 C25 C26 C27 -174.7(9) . . . . ?
O1 C22 C27 C26 177.9(8) . . . . ?
C23 C22 C27 C26 -0.8(15) . . . . ?
C25 C26 C27 C22 -1.7(15) . . . . ?
N1 C28 C29 N2 -0.4(15) . . . . ?
Yb1 C28 C29 N2 1.2(8) . . . . ?
N1 C28 C29 Yb1 -1.6(8) . . . . ?
C35 C30 C31 C32 1.0(14) . . . . ?
N2 C30 C31 C32 -179.2(9) . . . . ?
C30 C31 C32 C33 0.1(16) . . . . ?
C31 C32 C33 C34 -1.1(16) . . . . ?
C31 C32 C33 O2 178.9(9) . . . . ?
C32 C33 C34 C35 1.1(14) . . . . ?
O2 C33 C34 C35 -178.9(9) . . . . ?
C31 C30 C35 C34 -1.0(13) . . . . ?
N2 C30 C35 C34 179.2(8) . . . . ?
C33 C34 C35 C30 -0.1(14) . . . . ?
C29 C28 N1 C25 178.1(9) . . . . ?
Yb1 C28 N1 C25 175.9(11) . . . . ?
C29 C28 N1 Yb1 2.2(12) . . . . ?
C26 C25 N1 C28 -4.5(14) . . . . ?
C24 C25 N1 C28 177.0(9) . . . . ?
C26 C25 N1 Yb1 170.8(7) . . . . ?
C24 C25 N1 Yb1 -7.7(12) . . . . ?
C28 C29 N2 C30 177.7(9) . . . . ?
Yb1 C29 N2 C30 179.4(10) . . . . ?
C28 C29 N2 Yb1 -1.7(12) . . . . ?
C35 C30 N2 C29 -6.6(14) . . . . ?
C31 C30 N2 C29 173.5(8) . . . . ?
C35 C30 N2 Yb1 172.7(7) . . . . ?
C31 C30 N2 Yb1 -7.2(11) . . . . ?
C27 C22 O1 C21 0.4(13) . . . . ?
C23 C22 O1 C21 179.2(8) . . . . ?
C32 C33 O2 C36 180.0(9) . . . . ?
C34 C33 O2 C36 0.0(13) . . . . ?
C28 N1 Yb1 N2 -2.2(6) . . . . ?
C25 N1 Yb1 N2 -177.7(8) . . . . ?
C28 N1 Yb1 C2 118.1(7) . . . . ?
C25 N1 Yb1 C2 -57.5(9) . . . . ?
C28 N1 Yb1 C1 80.0(7) . . . . ?
C25 N1 Yb1 C1 -95.5(8) . . . . ?
C28 N1 Yb1 C5 77.0(7) . . . . ?
C25 N1 Yb1 C5 -98.5(7) . . . . ?
C28 N1 Yb1 C9 -103.8(7) . . . . ?
C25 N1 Yb1 C9 80.7(7) . . . . ?
C28 N1 Yb1 C4 104.1(7) . . . . ?
C25 N1 Yb1 C4 -71.4(7) . . . . ?
C28 N1 Yb1 C10 -78.2(7) . . . . ?
C25 N1 Yb1 C10 106.3(7) . . . . ?
C28 N1 Yb1 C3 128.1(7) . . . . ?
C25 N1 Yb1 C3 -47.4(7) . . . . ?
C28 N1 Yb1 C8 -129.4(7) . . . . ?
C25 N1 Yb1 C8 55.0(7) . . . . ?
C28 N1 Yb1 C7 -124.2(7) . . . . ?
C25 N1 Yb1 C7 60.3(8) . . . . ?
C28 N1 Yb1 C6 -85.5(7) . . . . ?
C25 N1 Yb1 C6 99.0(7) . . . . ?
C29 N2 Yb1 N1 2.0(6) . . . . ?
C30 N2 Yb1 N1 -177.3(8) . . . . ?
C29 N2 Yb1 C2 -121.9(7) . . . . ?
C30 N2 Yb1 C2 58.8(8) . . . . ?
C29 N2 Yb1 C1 -123.1(6) . . . . ?
C30 N2 Yb1 C1 57.6(7) . . . . ?
C29 N2 Yb1 C5 -94.8(6) . . . . ?
C30 N2 Yb1 C5 85.9(7) . . . . ?
C29 N2 Yb1 C9 78.9(6) . . . . ?
C30 N2 Yb1 C9 -100.4(7) . . . . ?
C29 N2 Yb1 C4 -72.4(6) . . . . ?
C30 N2 Yb1 C4 108.3(7) . . . . ?
C29 N2 Yb1 C10 104.3(6) . . . . ?
C30 N2 Yb1 C10 -75.1(7) . . . . ?
C29 N2 Yb1 C3 -83.2(7) . . . . ?
C30 N2 Yb1 C3 97.5(8) . . . . ?
C29 N2 Yb1 C8 87.0(7) . . . . ?
C30 N2 Yb1 C8 -92.3(8) . . . . ?
C29 N2 Yb1 C7 125.5(6) . . . . ?
C30 N2 Yb1 C7 -53.9(8) . . . . ?
C29 N2 Yb1 C6 130.1(6) . . . . ?
C30 N2 Yb1 C6 -49.3(7) . . . . ?
C1 C2 Yb1 N1 -96.1(8) . . . . ?
C3 C2 Yb1 N1 19.6(9) . . . . ?
C12 C2 Yb1 N1 141.9(15) . . . . ?
C1 C2 Yb1 N2 -2.3(9) . . . . ?
C3 C2 Yb1 N2 113.3(7) . . . . ?
C12 C2 Yb1 N2 -124.4(15) . . . . ?
C3 C2 Yb1 C1 115.6(9) . . . . ?
C12 C2 Yb1 C1 -122.1(19) . . . . ?
C1 C2 Yb1 C5 -38.0(6) . . . . ?
C3 C2 Yb1 C5 77.7(7) . . . . ?
C12 C2 Yb1 C5 -160.0(18) . . . . ?
C1 C2 Yb1 C9 148.7(6) . . . . ?
C3 C2 Yb1 C9 -95.7(7) . . . . ?
C12 C2 Yb1 C9 26.6(18) . . . . ?
C1 C2 Yb1 C4 -78.1(7) . . . . ?
C3 C2 Yb1 C4 37.5(6) . . . . ?
C12 C2 Yb1 C4 159.8(18) . . . . ?
C1 C2 Yb1 C10 105.8(7) . . . . ?
C3 C2 Yb1 C10 -138.6(6) . . . . ?
C12 C2 Yb1 C10 -16.3(18) . . . . ?
C1 C2 Yb1 C3 -115.6(9) . . . . ?
C12 C2 Yb1 C3 122.3(19) . . . . ?
C1 C2 Yb1 C8 154.4(7) . . . . ?
C3 C2 Yb1 C8 -89.9(7) . . . . ?
C12 C2 Yb1 C8 32.4(17) . . . . ?
C1 C2 Yb1 C7 129.0(7) . . . . ?
C3 C2 Yb1 C7 -115.3(7) . . . . ?
C12 C2 Yb1 C7 7.0(16) . . . . ?
C1 C2 Yb1 C6 102.7(7) . . . . ?
C3 C2 Yb1 C6 -141.7(7) . . . . ?
C12 C2 Yb1 C6 -19.4(16) . . . . ?
C2 C1 Yb1 N1 106.9(8) . . . . ?
C5 C1 Yb1 N1 -5.9(8) . . . . ?
C11 C1 Yb1 N1 -130.7(13) . . . . ?
C2 C1 Yb1 N2 178.1(7) . . . . ?
C5 C1 Yb1 N2 65.3(6) . . . . ?
C11 C1 Yb1 N2 -59.5(14) . . . . ?
C5 C1 Yb1 C2 -112.8(9) . . . . ?
C11 C1 Yb1 C2 122.4(17) . . . . ?
C2 C1 Yb1 C5 112.8(9) . . . . ?
C11 C1 Yb1 C5 -124.8(17) . . . . ?
C2 C1 Yb1 C9 -64.2(10) . . . . ?
C5 C1 Yb1 C9 -177.0(6) . . . . ?
C11 C1 Yb1 C9 58.2(18) . . . . ?
C2 C1 Yb1 C4 75.7(7) . . . . ?
C5 C1 Yb1 C4 -37.0(6) . . . . ?
C11 C1 Yb1 C4 -161.8(16) . . . . ?
C2 C1 Yb1 C10 -103.0(7) . . . . ?
C5 C1 Yb1 C10 144.2(6) . . . . ?
C11 C1 Yb1 C10 19.4(16) . . . . ?
C2 C1 Yb1 C3 36.5(6) . . . . ?
C5 C1 Yb1 C3 -76.3(6) . . . . ?
C11 C1 Yb1 C3 159.0(16) . . . . ?
C2 C1 Yb1 C8 -33.4(8) . . . . ?
C5 C1 Yb1 C8 -146.1(6) . . . . ?
C11 C1 Yb1 C8 89.1(15) . . . . ?
C2 C1 Yb1 C7 -53.3(7) . . . . ?
C5 C1 Yb1 C7 -166.1(6) . . . . ?
C11 C1 Yb1 C7 69.1(14) . . . . ?
C2 C1 Yb1 C6 -85.0(7) . . . . ?
C5 C1 Yb1 C6 162.2(6) . . . . ?
C11 C1 Yb1 C6 37.4(15) . . . . ?
C4 C5 Yb1 N1 61.5(6) . . . . ?
C1 C5 Yb1 N1 175.1(7) . . . . ?
C15 C5 Yb1 N1 -60.9(9) . . . . ?
C4 C5 Yb1 N2 133.1(6) . . . . ?
C1 C5 Yb1 N2 -113.3(7) . . . . ?
C15 C5 Yb1 N2 10.7(9) . . . . ?
C4 C5 Yb1 C2 -76.1(7) . . . . ?
C1 C5 Yb1 C2 37.6(7) . . . . ?
C15 C5 Yb1 C2 161.5(11) . . . . ?
C4 C5 Yb1 C1 -113.7(9) . . . . ?
C15 C5 Yb1 C1 124.0(13) . . . . ?
C1 C5 Yb1 C4 113.7(9) . . . . ?
C15 C5 Yb1 C4 -122.4(12) . . . . ?
C4 C5 Yb1 C10 177.1(6) . . . . ?
C1 C5 Yb1 C10 -69.2(10) . . . . ?
C15 C5 Yb1 C10 54.7(13) . . . . ?
C4 C5 Yb1 C3 -35.6(6) . . . . ?
C1 C5 Yb1 C3 78.0(7) . . . . ?
C15 C5 Yb1 C3 -158.0(11) . . . . ?
C4 C5 Yb1 C8 -50.0(10) . . . . ?
C1 C5 Yb1 C8 63.7(10) . . . . ?
C15 C5 Yb1 C8 -172.3(9) . . . . ?
C4 C5 Yb1 C7 -94.6(7) . . . . ?
C1 C5 Yb1 C7 19.1(9) . . . . ?
C15 C5 Yb1 C7 143.1(9) . . . . ?
C4 C5 Yb1 C6 -138.3(6) . . . . ?
C1 C5 Yb1 C6 -24.6(8) . . . . ?
C15 C5 Yb1 C6 99.3(10) . . . . ?
C8 C9 Yb1 N1 -122.2(6) . . . . ?
C10 C9 Yb1 N1 124.7(6) . . . . ?
C16 C9 Yb1 N1 2.2(7) . . . . ?
C8 C9 Yb1 N2 167.2(6) . . . . ?
C10 C9 Yb1 N2 54.1(6) . . . . ?
C16 C9 Yb1 N2 -68.3(7) . . . . ?
C8 C9 Yb1 C2 11.0(8) . . . . ?
C10 C9 Yb1 C2 -102.1(7) . . . . ?
C16 C9 Yb1 C2 135.5(8) . . . . ?
C8 C9 Yb1 C1 50.3(11) . . . . ?
C10 C9 Yb1 C1 -62.8(10) . . . . ?
C16 C9 Yb1 C1 174.8(8) . . . . ?
C8 C9 Yb1 C4 -68.4(8) . . . . ?
C10 C9 Yb1 C4 178.5(6) . . . . ?
C16 C9 Yb1 C4 56.0(10) . . . . ?
C8 C9 Yb1 C10 113.1(8) . . . . ?
C16 C9 Yb1 C10 -122.5(10) . . . . ?
C8 C9 Yb1 C3 -30.2(7) . . . . ?
C10 C9 Yb1 C3 -143.3(6) . . . . ?
C16 C9 Yb1 C3 94.2(8) . . . . ?
C10 C9 Yb1 C8 -113.1(8) . . . . ?
C16 C9 Yb1 C8 124.4(10) . . . . ?
C8 C9 Yb1 C7 36.7(5) . . . . ?
C10 C9 Yb1 C7 -76.4(6) . . . . ?
C16 C9 Yb1 C7 161.2(9) . . . . ?
C8 C9 Yb1 C6 76.4(6) . . . . ?
C10 C9 Yb1 C6 -36.7(5) . . . . ?
C16 C9 Yb1 C6 -159.2(9) . . . . ?
C3 C4 Yb1 N1 127.0(7) . . . . ?
C5 C4 Yb1 N1 -116.8(6) . . . . ?
C14 C4 Yb1 N1 2.5(9) . . . . ?
C3 C4 Yb1 N2 -163.7(7) . . . . ?
C5 C4 Yb1 N2 -47.5(6) . . . . ?
C14 C4 Yb1 N2 71.7(10) . . . . ?
C3 C4 Yb1 C2 -38.6(7) . . . . ?
C5 C4 Yb1 C2 77.7(7) . . . . ?
C14 C4 Yb1 C2 -163.1(12) . . . . ?
C3 C4 Yb1 C1 -78.7(7) . . . . ?
C5 C4 Yb1 C1 37.5(6) . . . . ?
C14 C4 Yb1 C1 156.7(12) . . . . ?
C3 C4 Yb1 C5 -116.2(9) . . . . ?
C14 C4 Yb1 C5 119.2(12) . . . . ?
C3 C4 Yb1 C9 73.0(9) . . . . ?
C5 C4 Yb1 C9 -170.8(6) . . . . ?
C14 C4 Yb1 C9 -51.5(12) . . . . ?
C5 C4 Yb1 C3 116.2(9) . . . . ?
C14 C4 Yb1 C3 -124.5(13) . . . . ?
C3 C4 Yb1 C8 36.7(8) . . . . ?
C5 C4 Yb1 C8 152.9(6) . . . . ?
C14 C4 Yb1 C8 -87.8(10) . . . . ?
C3 C4 Yb1 C7 -2.5(8) . . . . ?
C5 C4 Yb1 C7 113.7(6) . . . . ?
C14 C4 Yb1 C7 -127.1(9) . . . . ?
C3 C4 Yb1 C6 -36.9(11) . . . . ?
C5 C4 Yb1 C6 79.3(9) . . . . ?
C14 C4 Yb1 C6 -161.5(9) . . . . ?
C6 C10 Yb1 N1 -168.6(6) . . . . ?
C9 C10 Yb1 N1 -54.9(6) . . . . ?
C20 C10 Yb1 N1 65.2(8) . . . . ?
C6 C10 Yb1 N2 121.1(6) . . . . ?
C9 C10 Yb1 N2 -125.2(6) . . . . ?
C20 C10 Yb1 N2 -5.1(7) . . . . ?
C6 C10 Yb1 C2 -5.9(9) . . . . ?
C9 C10 Yb1 C2 107.8(7) . . . . ?
C20 C10 Yb1 C2 -132.1(8) . . . . ?
C6 C10 Yb1 C1 35.9(8) . . . . ?
C9 C10 Yb1 C1 149.6(6) . . . . ?
C20 C10 Yb1 C1 -90.2(9) . . . . ?
C6 C10 Yb1 C5 76.8(9) . . . . ?
C9 C10 Yb1 C5 -169.5(6) . . . . ?
C20 C10 Yb1 C5 -49.4(12) . . . . ?
C6 C10 Yb1 C9 -113.7(9) . . . . ?
C20 C10 Yb1 C9 120.1(11) . . . . ?
C6 C10 Yb1 C3 -47.9(10) . . . . ?
C9 C10 Yb1 C3 65.8(9) . . . . ?
C20 C10 Yb1 C3 -174.1(7) . . . . ?
C6 C10 Yb1 C8 -76.6(6) . . . . ?
C9 C10 Yb1 C8 37.1(5) . . . . ?
C20 C10 Yb1 C8 157.3(9) . . . . ?
C6 C10 Yb1 C7 -36.6(6) . . . . ?
C9 C10 Yb1 C7 77.1(6) . . . . ?
C20 C10 Yb1 C7 -162.8(9) . . . . ?
C9 C10 Yb1 C6 113.7(9) . . . . ?
C20 C10 Yb1 C6 -126.2(11) . . . . ?
C4 C3 Yb1 N1 -52.3(7) . . . . ?
C2 C3 Yb1 N1 -164.4(7) . . . . ?
C13 C3 Yb1 N1 72.3(12) . . . . ?
C4 C3 Yb1 N2 21.2(9) . . . . ?
C2 C3 Yb1 N2 -90.9(8) . . . . ?
C13 C3 Yb1 N2 145.9(10) . . . . ?
C4 C3 Yb1 C2 112.1(10) . . . . ?
C13 C3 Yb1 C2 -123.2(15) . . . . ?
C4 C3 Yb1 C1 76.1(7) . . . . ?
C2 C3 Yb1 C1 -36.0(7) . . . . ?
C13 C3 Yb1 C1 -159.2(14) . . . . ?
C4 C3 Yb1 C5 36.0(6) . . . . ?
C2 C3 Yb1 C5 -76.1(7) . . . . ?
C13 C3 Yb1 C5 160.7(13) . . . . ?
C4 C3 Yb1 C9 -135.8(6) . . . . ?
C2 C3 Yb1 C9 112.1(7) . . . . ?
C13 C3 Yb1 C9 -11.1(13) . . . . ?
C2 C3 Yb1 C4 -112.1(10) . . . . ?
C13 C3 Yb1 C4 124.7(15) . . . . ?
C4 C3 Yb1 C10 -173.1(6) . . . . ?
C2 C3 Yb1 C10 74.7(9) . . . . ?
C13 C3 Yb1 C10 -48.5(15) . . . . ?
C4 C3 Yb1 C8 -150.9(6) . . . . ?
C2 C3 Yb1 C8 97.0(7) . . . . ?
C13 C3 Yb1 C8 -26.2(12) . . . . ?
C4 C3 Yb1 C7 178.0(7) . . . . ?
C2 C3 Yb1 C7 65.9(7) . . . . ?
C13 C3 Yb1 C7 -57.3(12) . . . . ?
C4 C3 Yb1 C6 159.7(6) . . . . ?
C2 C3 Yb1 C6 47.6(8) . . . . ?
C13 C3 Yb1 C6 -75.6(12) . . . . ?
C9 C8 Yb1 N1 57.1(6) . . . . ?
C7 C8 Yb1 N1 171.8(5) . . . . ?
C17 C8 Yb1 N1 -68.2(8) . . . . ?
C9 C8 Yb1 N2 -16.0(7) . . . . ?
C7 C8 Yb1 N2 98.7(6) . . . . ?
C17 C8 Yb1 N2 -141.3(7) . . . . ?
C9 C8 Yb1 C2 -171.8(6) . . . . ?
C7 C8 Yb1 C2 -57.1(6) . . . . ?
C17 C8 Yb1 C2 63.0(9) . . . . ?
C9 C8 Yb1 C1 -155.0(5) . . . . ?
C7 C8 Yb1 C1 -40.3(7) . . . . ?
C17 C8 Yb1 C1 79.7(9) . . . . ?
C9 C8 Yb1 C5 167.7(6) . . . . ?
C7 C8 Yb1 C5 -77.6(8) . . . . ?
C17 C8 Yb1 C5 42.5(12) . . . . ?
C7 C8 Yb1 C9 114.7(8) . . . . ?
C17 C8 Yb1 C9 -125.2(11) . . . . ?
C9 C8 Yb1 C4 138.5(5) . . . . ?
C7 C8 Yb1 C4 -106.8(6) . . . . ?
C17 C8 Yb1 C4 13.2(10) . . . . ?
C9 C8 Yb1 C10 -38.1(5) . . . . ?
C7 C8 Yb1 C10 76.6(6) . . . . ?
C17 C8 Yb1 C10 -163.3(10) . . . . ?
C9 C8 Yb1 C3 156.4(6) . . . . ?
C7 C8 Yb1 C3 -88.9(6) . . . . ?
C17 C8 Yb1 C3 31.2(9) . . . . ?
C9 C8 Yb1 C7 -114.7(8) . . . . ?
C17 C8 Yb1 C7 120.1(11) . . . . ?
C9 C8 Yb1 C6 -77.7(6) . . . . ?
C7 C8 Yb1 C6 37.0(5) . . . . ?
C17 C8 Yb1 C6 157.0(10) . . . . ?
C6 C7 Yb1 N1 103.6(6) . . . . ?
C8 C7 Yb1 N1 -10.3(7) . . . . ?
C18 C7 Yb1 N1 -131.7(9) . . . . ?
C6 C7 Yb1 N2 9.1(7) . . . . ?
C8 C7 Yb1 N2 -104.8(6) . . . . ?
C18 C7 Yb1 N2 133.7(9) . . . . ?
C6 C7 Yb1 C2 -121.1(7) . . . . ?
C8 C7 Yb1 C2 125.0(7) . . . . ?
C18 C7 Yb1 C2 3.5(10) . . . . ?
C6 C7 Yb1 C1 -96.8(6) . . . . ?
C8 C7 Yb1 C1 149.3(6) . . . . ?
C18 C7 Yb1 C1 27.8(10) . . . . ?
C6 C7 Yb1 C5 -106.9(6) . . . . ?
C8 C7 Yb1 C5 139.2(5) . . . . ?
C18 C7 Yb1 C5 17.7(12) . . . . ?
C6 C7 Yb1 C9 77.3(6) . . . . ?
C8 C7 Yb1 C9 -36.6(5) . . . . ?
C18 C7 Yb1 C9 -158.1(11) . . . . ?
C6 C7 Yb1 C4 -148.0(6) . . . . ?
C8 C7 Yb1 C4 98.1(6) . . . . ?
C18 C7 Yb1 C4 -23.4(11) . . . . ?
C6 C7 Yb1 C10 36.5(5) . . . . ?
C8 C7 Yb1 C10 -77.4(6) . . . . ?
C18 C7 Yb1 C10 161.1(11) . . . . ?
C6 C7 Yb1 C3 -149.3(6) . . . . ?
C8 C7 Yb1 C3 96.8(6) . . . . ?
C18 C7 Yb1 C3 -24.7(10) . . . . ?
C6 C7 Yb1 C8 113.9(8) . . . . ?
C18 C7 Yb1 C8 -121.5(12) . . . . ?
C8 C7 Yb1 C6 -113.9(8) . . . . ?
C18 C7 Yb1 C6 124.6(12) . . . . ?
C10 C6 Yb1 N1 14.4(7) . . . . ?
C7 C6 Yb1 N1 -100.5(6) . . . . ?
C19 C6 Yb1 N1 137.6(8) . . . . ?
C10 C6 Yb1 N2 -57.7(6) . . . . ?
C7 C6 Yb1 N2 -172.6(6) . . . . ?
C19 C6 Yb1 N2 65.5(8) . . . . ?
C10 C6 Yb1 C2 175.5(7) . . . . ?
C7 C6 Yb1 C2 60.6(7) . . . . ?
C19 C6 Yb1 C2 -61.2(9) . . . . ?
C10 C6 Yb1 C1 -153.2(6) . . . . ?
C7 C6 Yb1 C1 91.9(6) . . . . ?
C19 C6 Yb1 C1 -29.9(9) . . . . ?
C10 C6 Yb1 C5 -140.3(6) . . . . ?
C7 C6 Yb1 C5 104.9(6) . . . . ?
C19 C6 Yb1 C5 -17.0(10) . . . . ?
C10 C6 Yb1 C9 37.8(6) . . . . ?
C7 C6 Yb1 C9 -77.0(6) . . . . ?
C19 C6 Yb1 C9 161.1(10) . . . . ?
C10 C6 Yb1 C4 174.2(6) . . . . ?
C7 C6 Yb1 C4 59.3(10) . . . . ?
C19 C6 Yb1 C4 -62.5(11) . . . . ?
C7 C6 Yb1 C10 -114.9(9) . . . . ?
C19 C6 Yb1 C10 123.3(11) . . . . ?
C10 C6 Yb1 C3 152.6(6) . . . . ?
C7 C6 Yb1 C3 37.7(7) . . . . ?
C19 C6 Yb1 C3 -84.2(9) . . . . ?
C10 C6 Yb1 C8 77.7(6) . . . . ?
C7 C6 Yb1 C8 -37.2(5) . . . . ?
C19 C6 Yb1 C8 -159.1(10) . . . . ?
C10 C6 Yb1 C7 114.9(9) . . . . ?
C19 C6 Yb1 C7 -121.9(11) . . . . ?
 
_diffrn_measured_fraction_theta_max    0.964
_diffrn_reflns_theta_full              24.73
_diffrn_measured_fraction_theta_full   0.964
_refine_diff_density_max    2.121
_refine_diff_density_min   -2.269
_refine_diff_density_rms    0.176


