 
data_3_sq
 
_audit_creation_method            'SHELXL-2014/7'
_shelx_SHELXL_version_number      '2014/7'
_chemical_name_systematic         ?
_chemical_name_common             ?
_chemical_melting_point           ?
_chemical_formula_moiety          ?
_chemical_formula_sum
 'C56 H30 Co F24 N5 O13 P3 Yb' 
_chemical_formula_weight          1761.73

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'
 'F'  'F'   0.0171   0.0103
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'P'  'P'   0.1023   0.0942
 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
 'Co'  'Co'   0.3494   0.9721
 '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'
 
_space_group_crystal_system       triclinic
_space_group_IT_number            2
_space_group_name_H-M_alt         'P -1'
_space_group_name_Hall            '-P 1'
 
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
 
loop_
 _space_group_symop_operation_xyz
 'x, y, z'
 '-x, -y, -z'
 
_cell_length_a                    16.2705(2)
_cell_length_b                    16.7757(4)
_cell_length_c                    28.5174(7)
_cell_angle_alpha                 79.887(2)
_cell_angle_beta                  77.355(2)
_cell_angle_gamma                 70.447(2)
_cell_volume                      7112.6(3)
_cell_formula_units_Z             4
_cell_measurement_temperature   179.98(11) 
_cell_measurement_reflns_used   19503
_cell_measurement_theta_min     1.8730
_cell_measurement_theta_max     25.9340
 
_exptl_crystal_description        'needle-like'
_exptl_crystal_colour             'dark red'
_exptl_crystal_density_meas       ?
_exptl_crystal_density_method     ?
_exptl_crystal_density_diffrn     1.645          
_exptl_crystal_F_000              3452
_exptl_transmission_factor_min    ?
_exptl_transmission_factor_max    ?
_exptl_crystal_size_max           0.25
_exptl_crystal_size_mid           0.05
_exptl_crystal_size_min           0.03
_exptl_absorpt_coefficient_mu     1.730
_shelx_estimated_absorpt_T_min    ?
_shelx_estimated_absorpt_T_max    ?
_exptl_absorpt_correction_T_min                   0.67397
_exptl_absorpt_correction_T_max                   1.00000
_exptl_absorpt_correction_type            multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.29a (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details    ?
_diffrn_ambient_temperature       179.98(11)
_diffrn_radiation_wavelength      0.71073
_diffrn_radiation_type            MoK\a
_diffrn_source                    ?
_diffrn_measurement_device_type   'XtaLAB AFC12 (RINC): Kappa single'
_diffrn_detector 'CCD plate'
_diffrn_measurement_method        ?
_diffrn_detector_area_resol_mean  ?
_diffrn_reflns_number             106994
_diffrn_reflns_av_unetI/netI      0.0877
_diffrn_reflns_av_R_equivalents   0.0712
_diffrn_reflns_limit_h_min        -20
_diffrn_reflns_limit_h_max        20
_diffrn_reflns_limit_k_min        -20
_diffrn_reflns_limit_k_max        20
_diffrn_reflns_limit_l_min        -35
_diffrn_reflns_limit_l_max        35
_diffrn_reflns_theta_min          1.817
_diffrn_reflns_theta_max          26.372
_diffrn_reflns_theta_full         25.242
_diffrn_measured_fraction_theta_max   0.999
_diffrn_measured_fraction_theta_full  0.999
_diffrn_reflns_Laue_measured_fraction_max    0.999
_diffrn_reflns_Laue_measured_fraction_full   0.999
_diffrn_reflns_point_group_measured_fraction_max   0.999
_diffrn_reflns_point_group_measured_fraction_full  0.999
_reflns_number_total              29071
_reflns_number_gt                 19836
_reflns_threshold_expression      'I > 2σ(I)'
_reflns_Friedel_coverage          0.000
_reflns_Friedel_fraction_max      .
_reflns_Friedel_fraction_full     .
 
_reflns_special_details
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
 
_computing_data_collection        ?
_computing_cell_refinement        ?
_computing_data_reduction         ?
_computing_structure_solution     ?
_computing_structure_refinement 'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics     ?
_computing_publication_material   ?
_refine_special_details           ?
_refine_ls_structure_factor_coef  Fsqd
_refine_ls_matrix_type            full
_refine_ls_weighting_scheme       calc
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0462P)²+46.9248P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary      ?
_atom_sites_solution_secondary    ?
_atom_sites_solution_hydrogens    geom
_refine_ls_hydrogen_treatment     constr
_refine_ls_extinction_method      none
_refine_ls_extinction_coef        .
_refine_ls_number_reflns          29071
_refine_ls_number_parameters      1918
_refine_ls_number_restraints      96
_refine_ls_R_factor_all           0.1119
_refine_ls_R_factor_gt            0.0734
_refine_ls_wR_factor_ref          0.1644
_refine_ls_wR_factor_gt           0.1521
_refine_ls_goodness_of_fit_ref    1.078
_refine_ls_restrained_S_all       1.077
_refine_ls_shift/su_max           0.003
_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_site_symmetry_order  
 _atom_site_calc_flag
 _atom_site_refinement_flags_posn
 _atom_site_refinement_flags_adp
 _atom_site_refinement_flags_occupancy
 _atom_site_disorder_assembly
 _atom_site_disorder_group
Yb1 Yb 0.42925(2) 0.94734(2) 0.72350(2) 0.03081(9) Uani 1 1 d . . . . .
Co1 Co 0.22024(7) 1.13614(7) 0.67061(4) 0.0402(3) Uani 1 1 d . . . . .
P1 P 0.34653(15) 1.08052(18) 0.62668(9) 0.0539(6) Uani 1 1 d . . . . .
P2 P 0.28707(19) 1.15331(18) 0.72360(11) 0.0654(8) Uani 1 1 d . . . . .
P3 P 0.21313(16) 1.01379(18) 0.70732(13) 0.0695(9) Uani 1 1 d . . . . .
F1 F 0.6213(4) 1.1645(4) 0.6538(2) 0.0704(16) Uani 1 1 d . . . . .
F2 F 0.7548(5) 1.2297(4) 0.6204(2) 0.096(2) Uani 1 1 d . . . . .
F3 F 0.9225(5) 1.1336(5) 0.6311(3) 0.113(3) Uani 1 1 d . . . . .
F4 F 0.9538(4) 0.9735(5) 0.6760(3) 0.107(3) Uani 1 1 d . . . . .
F5 F 0.8189(3) 0.9077(4) 0.7087(2) 0.0714(17) Uani 1 1 d . . . . .
F6 F 0.4191(3) 0.8244(4) 0.57362(18) 0.0572(14) Uani 1 1 d . . . . .
F7 F 0.4541(4) 0.7609(4) 0.48903(19) 0.0724(17) Uani 1 1 d . . . . .
F8 F 0.6234(5) 0.6741(4) 0.45212(18) 0.0753(17) Uani 1 1 d . . . . .
F9 F 0.7558(4) 0.6524(4) 0.5006(2) 0.0770(17) Uani 1 1 d . . . . .
F10 F 0.7217(3) 0.7127(3) 0.58585(18) 0.0577(14) Uani 1 1 d . . . . .
F11 F 0.1966(5) 0.7590(6) 0.7701(4) 0.143(4) Uani 1 1 d . . . . .
F12 F 0.1064(6) 0.6567(7) 0.8238(5) 0.190(6) Uani 1 1 d . . . . .
F13 F 0.1749(6) 0.5412(5) 0.8944(3) 0.123(3) Uani 1 1 d . . . . .
F14 F 0.3404(7) 0.5201(6) 0.9064(4) 0.159(4) Uani 1 1 d . . . . .
F15 F 0.4323(6) 0.6200(6) 0.8525(4) 0.142(4) Uani 1 1 d . . . . .
F16 F 0.5223(4) 0.8503(4) 0.92404(18) 0.0645(15) Uani 1 1 d . . . . .
F17 F 0.4870(4) 0.8795(4) 1.01693(19) 0.0821(19) Uani 1 1 d . . . . .
F18 F 0.3692(5) 1.0271(5) 1.04492(19) 0.090(2) Uani 1 1 d . . . . .
F19 F 0.2831(5) 1.1439(5) 0.9796(3) 0.105(2) Uani 1 1 d . . . . .
F20 F 0.3174(4) 1.1157(4) 0.8866(2) 0.0768(17) Uani 1 1 d . . . . .
F21 F 0.6084(3) 0.9795(4) 0.86526(17) 0.0644(15) Uani 1 1 d . . . . .
F22 F 0.7117(3) 1.0005(3) 0.78772(17) 0.0517(13) Uani 1 1 d . . . . .
F23 F 0.4952(4) 0.6466(3) 0.63210(19) 0.0636(15) Uani 1 1 d . . . . .
F24 F 0.3857(4) 0.6187(4) 0.7238(2) 0.0704(17) Uani 1 1 d . . . . .
O1 O 0.6748(3) 0.9486(4) 0.62355(18) 0.0401(13) Uani 1 1 d . . . . .
O2 O 0.6771(4) 0.8909(4) 0.5571(2) 0.0555(16) Uani 1 1 d . . . . .
O3 O 0.3446(4) 0.8808(4) 0.8802(2) 0.0567(17) Uani 1 1 d . . . . .
O4 O 0.2650(6) 0.7909(6) 0.8908(3) 0.102(3) Uani 1 1 d . . . . .
O5 O 0.3939(4) 1.1480(5) 0.6006(3) 0.076(2) Uani 1 1 d . . . . .
O6 O 0.3290(4) 1.0513(5) 0.5801(2) 0.0667(19) Uani 1 1 d . . . . .
O7 O 0.3188(5) 1.2349(4) 0.7026(3) 0.081(2) Uani 1 1 d . . . . .
O8 O 0.2257(5) 1.1867(6) 0.7710(3) 0.092(3) Uani 1 1 d . . . . .
O9 O 0.1313(4) 1.0333(6) 0.7512(4) 0.113(4) Uani 1 1 d . . . . .
O10 O 0.1788(7) 0.9646(6) 0.6791(5) 0.145(5) Uani 1 1 d . . . . .
O11 O 0.4143(4) 1.0079(4) 0.6493(2) 0.0570(18) Uani 1 1 d . . . . .
O12 O 0.3644(4) 1.0804(4) 0.7392(2) 0.0618(18) Uani 1 1 d . . . . .
O13 O 0.2911(3) 0.9531(4) 0.7273(3) 0.066(2) Uani 1 1 d . . . . .
N1 N 0.5253(4) 0.9790(4) 0.7687(2) 0.0304(14) Uani 1 1 d . . . . .
N2 N 0.5734(4) 0.9017(4) 0.6779(2) 0.0288(13) Uani 1 1 d . . . . .
N3 N 0.4534(4) 0.8043(4) 0.7112(2) 0.0324(14) Uani 1 1 d . . . . .
N4 N 0.4065(4) 0.8756(4) 0.8024(2) 0.0328(14) Uani 1 1 d . . . . .
N5 N 0.5864(6) 1.1643(6) 0.8230(3) 0.067(2) Uani 1 1 d . . . . .
C1 C 0.5039(5) 0.9908(5) 0.8169(3) 0.0357(18) Uani 1 1 d . . . . .
C2 C 0.5615(5) 1.0345(6) 0.8310(3) 0.043(2) Uani 1 1 d . . . . .
C3 C 0.6242(5) 1.0457(6) 0.7824(3) 0.042(2) Uani 1 1 d . . . . .
C4 C 0.5966(5) 1.0059(5) 0.7479(3) 0.0328(17) Uani 1 1 d . . . . .
C5 C 0.5204(7) 1.1226(7) 0.8459(4) 0.065(3) Uani 1 1 d . . . . .
H5A H 0.4648 1.1509 0.8343 0.078 Uiso 1 1 calc R U . . .
H5B H 0.5100 1.1215 0.8808 0.078 Uiso 1 1 calc R U . . .
C6 C 0.6116(7) 1.1400(6) 0.7744(3) 0.058(3) Uani 1 1 d . . . . .
H6A H 0.6660 1.1516 0.7581 0.070 Uiso 1 1 calc R U . . .
H6B H 0.5653 1.1698 0.7554 0.070 Uiso 1 1 calc R U . . .
C7 C 0.5556(10) 1.2555(8) 0.8242(5) 0.109(5) Uani 1 1 d . . . . .
H7A H 0.5078 1.2805 0.8063 0.164 Uiso 1 1 calc R U . . .
H7B H 0.6032 1.2785 0.8099 0.164 Uiso 1 1 calc R U . . .
H7C H 0.5353 1.2681 0.8571 0.164 Uiso 1 1 calc R U . . .
C8 C 0.6418(4) 0.9966(5) 0.7013(3) 0.0297(16) Uani 1 1 d . . . . .
C9 C 0.6272(4) 0.9487(5) 0.6697(3) 0.0307(17) Uani 1 1 d . . . . .
C10 C 0.6482(5) 0.8988(5) 0.5987(3) 0.0369(18) Uani 1 1 d . . . . .
C11 C 0.5858(4) 0.8651(5) 0.6356(3) 0.0288(16) Uani 1 1 d . . . . .
C12 C 0.5477(4) 0.8079(5) 0.6297(3) 0.0299(16) Uani 1 1 d . . . . .
C13 C 0.4918(5) 0.7717(5) 0.6674(3) 0.0365(18) Uani 1 1 d . . . . .
C14 C 0.4672(6) 0.6982(5) 0.6672(3) 0.046(2) Uani 1 1 d . . . . .
C15 C 0.4188(6) 0.6841(5) 0.7101(3) 0.041(2) Uani 1 1 d . . . . .
C16 C 0.4077(5) 0.7496(5) 0.7386(3) 0.0347(18) Uani 1 1 d . . . . .
C17 C 0.3626(5) 0.7583(5) 0.7859(3) 0.0373(19) Uani 1 1 d . . . . .
C18 C 0.3614(5) 0.8151(5) 0.8143(3) 0.0400(19) Uani 1 1 d . . . . .
C19 C 0.3169(7) 0.8228(7) 0.8641(4) 0.060(3) Uani 1 1 d . . . . .
C20 C 0.3979(5) 0.9097(5) 0.8416(3) 0.0371(18) Uani 1 1 d . . . . .
C21 C 0.4403(5) 0.9648(6) 0.8511(3) 0.042(2) Uani 1 1 d . . . . .
C22 C 0.7169(5) 1.0337(5) 0.6822(3) 0.0371(19) Uani 1 1 d . . . . .
C23 C 0.8017(6) 0.9871(6) 0.6874(3) 0.052(2) Uani 1 1 d . . . . .
C24 C 0.8717(6) 1.0199(7) 0.6707(4) 0.063(3) Uani 1 1 d . . . . .
C25 C 0.8559(7) 1.1016(8) 0.6474(4) 0.069(3) Uani 1 1 d . . . . .
C26 C 0.7738(8) 1.1478(7) 0.6415(4) 0.065(3) Uani 1 1 d . . . . .
C27 C 0.7025(6) 1.1158(6) 0.6590(3) 0.044(2) Uani 1 1 d . . . . .
C28 C 0.5693(5) 0.7725(5) 0.5822(3) 0.0337(17) Uani 1 1 d . . . . .
C29 C 0.5031(6) 0.7842(5) 0.5562(3) 0.043(2) Uani 1 1 d . . . . .
C30 C 0.5210(7) 0.7496(6) 0.5122(3) 0.051(2) Uani 1 1 d . . . . .
C31 C 0.6048(8) 0.7073(6) 0.4942(3) 0.056(3) Uani 1 1 d . . . . .
C32 C 0.6724(6) 0.6966(6) 0.5185(3) 0.055(2) Uani 1 1 d . . . . .
C33 C 0.6539(6) 0.7286(6) 0.5617(3) 0.045(2) Uani 1 1 d . . . . .
C34 C 0.3167(6) 0.6938(6) 0.8100(3) 0.047(2) Uani 1 1 d . . . . .
C35 C 0.2329(7) 0.7004(8) 0.8044(5) 0.082(4) Uani 1 1 d . . . . .
C36 C 0.1879(9) 0.6473(10) 0.8317(5) 0.106(5) Uani 1 1 d . U . . .
C37 C 0.2194(10) 0.5923(10) 0.8659(5) 0.097(5) Uani 1 1 d . . . . .
C38 C 0.3032(10) 0.5784(8) 0.8724(4) 0.081(4) Uani 1 1 d . . . . .
C39 C 0.3514(8) 0.6302(7) 0.8447(4) 0.072(3) Uani 1 1 d . . . . .
C40 C 0.4234(5) 0.9823(6) 0.9020(3) 0.045(2) Uani 1 1 d . . . . .
C41 C 0.4639(6) 0.9233(7) 0.9368(3) 0.053(2) Uani 1 1 d . . . . .
C42 C 0.4457(6) 0.9361(7) 0.9845(3) 0.054(2) Uani 1 1 d . . . . .
C43 C 0.3865(7) 1.0100(8) 0.9992(3) 0.063(3) Uani 1 1 d . . . . .
C44 C 0.3430(7) 1.0705(7) 0.9664(4) 0.061(3) Uani 1 1 d . . . . .
C45 C 0.3612(6) 1.0558(6) 0.9180(3) 0.050(2) Uani 1 1 d . . . . .
C46 C 0.4720(7) 1.1544(9) 0.6158(4) 0.089(4) Uani 1 1 d . . . . .
H46A H 0.4768 1.1250 0.6477 0.133 Uiso 1 1 calc R U . . .
H46B H 0.4659 1.2133 0.6162 0.133 Uiso 1 1 calc R U . . .
H46C H 0.5243 1.1293 0.5936 0.133 Uiso 1 1 calc R U . . .
C47 C 0.4003(7) 1.0228(7) 0.5428(4) 0.071(3) Uani 1 1 d . . . . .
H47A H 0.4099 1.0709 0.5211 0.107 Uiso 1 1 calc R U . . .
H47B H 0.3872 0.9858 0.5254 0.107 Uiso 1 1 calc R U . . .
H47C H 0.4527 0.9924 0.5564 0.107 Uiso 1 1 calc R U . . .
C48 C 0.3720(10) 1.2615(8) 0.7274(5) 0.103(5) Uani 1 1 d . . . . .
H48A H 0.3363 1.3117 0.7424 0.155 Uiso 1 1 calc R U . . .
H48B H 0.4205 1.2735 0.7046 0.155 Uiso 1 1 calc R U . . .
H48C H 0.3947 1.2168 0.7517 0.155 Uiso 1 1 calc R U . . .
C49 C 0.1982(11) 1.1279(10) 0.8102(6) 0.152(8) Uani 1 1 d . . . . .
H49A H 0.1582 1.1055 0.8004 0.228 Uiso 1 1 calc R U . . .
H49B H 0.1690 1.1573 0.8381 0.228 Uiso 1 1 calc R U . . .
H49C H 0.2492 1.0821 0.8178 0.228 Uiso 1 1 calc R U . . .
C50 C 0.1113(8) 0.9676(10) 0.7858(6) 0.143(8) Uani 1 1 d . . . . .
H50A H 0.1006 0.9272 0.7698 0.214 Uiso 1 1 calc R U . . .
H50B H 0.0595 0.9917 0.8086 0.214 Uiso 1 1 calc R U . . .
H50C H 0.1603 0.9395 0.8025 0.214 Uiso 1 1 calc R U . . .
C51 C 0.2323(10) 0.8950(11) 0.6534(6) 0.126(6) Uani 1 1 d . . . . .
H51A H 0.2579 0.9157 0.6220 0.189 Uiso 1 1 calc R U . . .
H51B H 0.1967 0.8616 0.6500 0.189 Uiso 1 1 calc R U . . .
H51C H 0.2786 0.8605 0.6709 0.189 Uiso 1 1 calc R U . . .
C52A C 0.0887(11) 1.1647(10) 0.6613(7) 0.046(5) Uani 0.589(17) 1 d G U P A 1
H52A H 0.0557 1.1270 0.6694 0.055 Uiso 0.589(17) 1 calc R U P A 1
C53A C 0.0941(9) 1.2199(10) 0.6922(5) 0.053(5) Uani 0.589(17) 1 d G U P A 1
H53A H 0.0653 1.2246 0.7241 0.063 Uiso 0.589(17) 1 calc R U P A 1
C54A C 0.1513(11) 1.2666(9) 0.6660(6) 0.051(5) Uani 0.589(17) 1 d G U P A 1
H54A H 0.1665 1.3073 0.6776 0.062 Uiso 0.589(17) 1 calc R U P A 1
C55A C 0.1812(11) 1.2403(11) 0.6189(6) 0.064(6) Uani 0.589(17) 1 d G U P A 1
H55A H 0.2194 1.2607 0.5942 0.077 Uiso 0.589(17) 1 calc R U P A 1
C56A C 0.1425(13) 1.1773(12) 0.6160(6) 0.075(7) Uani 0.589(17) 1 d G U P A 1
H56A H 0.1510 1.1492 0.5891 0.090 Uiso 0.589(17) 1 calc R U P A 1
C52B C 0.0892(17) 1.1873(18) 0.6767(10) 0.046(5) Uani 0.411(17) 1 d G . P A 2
H52B H 0.0502 1.1678 0.7013 0.055 Uiso 0.411(17) 1 calc R U P A 2
C53B C 0.1244(15) 1.2509(16) 0.6786(9) 0.053(5) Uani 0.411(17) 1 d G . P A 2
H53B H 0.1132 1.2817 0.7047 0.063 Uiso 0.411(17) 1 calc R U P A 2
C54B C 0.1791(14) 1.2607(14) 0.6349(10) 0.051(5) Uani 0.411(17) 1 d G . P A 2
H54B H 0.2112 1.2992 0.6265 0.062 Uiso 0.411(17) 1 calc R U P A 2
C55B C 0.1777(17) 1.2032(16) 0.6061(8) 0.064(6) Uani 0.411(17) 1 d G . P A 2
H55B H 0.2087 1.1962 0.5748 0.077 Uiso 0.411(17) 1 calc R U P A 2
C56B C 0.122(2) 1.1578(17) 0.6319(10) 0.075(7) Uani 0.411(17) 1 d G . P A 2
H56B H 0.1092 1.1149 0.6210 0.090 Uiso 0.411(17) 1 calc R U P A 2
Yb2 Yb -0.06140(2) 0.45914(2) 0.75820(2) 0.03392(10) Uani 1 1 d . . . . .
Co2 Co -0.26398(7) 0.66359(8) 0.81332(4) 0.0470(3) Uani 1 1 d . . . . .
F25 F -0.2527(4) 0.5374(4) 0.6111(3) 0.088(2) Uani 1 1 d . . . . .
F26 F -0.3318(5) 0.5165(5) 0.5433(3) 0.130(3) Uani 1 1 d . . . . .
F27 F -0.2616(5) 0.3765(5) 0.4969(2) 0.112(3) Uani 1 1 d . . . . .
F28 F -0.1131(5) 0.2573(5) 0.5186(2) 0.088(2) Uani 1 1 d . . . . .
F29 F -0.0310(3) 0.2790(3) 0.58560(19) 0.0576(13) Uani 1 1 d . . . . .
F30 F -0.0569(4) 0.1006(4) 0.7583(2) 0.0734(17) Uani 1 1 d . . . . .
F31 F -0.1052(4) -0.0360(4) 0.7998(3) 0.0813(19) Uani 1 1 d . . . . .
F32 F -0.2228(4) -0.0306(4) 0.8827(2) 0.0814(19) Uani 1 1 d . . . . .
F33 F -0.2952(6) 0.1179(5) 0.9232(3) 0.122(3) Uani 1 1 d . . . . .
F34 F -0.2434(5) 0.2541(5) 0.8837(2) 0.104(3) Uani 1 1 d . . . . .
F35 F 0.0155(3) 0.4330(4) 0.92564(18) 0.0678(16) Uani 1 1 d . . . . .
F36 F 0.0930(5) 0.4199(5) 1.0014(2) 0.093(2) Uani 1 1 d . . . . .
F37 F 0.2685(5) 0.3396(5) 0.9975(2) 0.095(2) Uani 1 1 d . . . . .
F38 F 0.3655(4) 0.2697(5) 0.9164(2) 0.088(2) Uani 1 1 d . . . . .
F39 F 0.2894(3) 0.2824(4) 0.84009(19) 0.0635(15) Uani 1 1 d . . . . .
F40 F 0.1255(5) 0.6836(4) 0.6517(2) 0.091(2) Uani 1 1 d . . . . .
F41 F 0.2596(7) 0.7368(5) 0.5984(3) 0.128(3) Uani 1 1 d . . . . .
F42 F 0.4120(5) 0.6229(6) 0.5629(2) 0.108(3) Uani 1 1 d . . . . .
F43 F 0.4332(4) 0.4538(5) 0.5827(3) 0.105(2) Uani 1 1 d . . . . .
F44 F 0.2978(3) 0.4019(4) 0.6360(2) 0.0691(16) Uani 1 1 d . . . . .
F45 F 0.1493(3) 0.4983(3) 0.56838(16) 0.0520(13) Uani 1 1 d . . . . .
F46 F 0.0374(3) 0.4319(4) 0.55571(17) 0.0577(14) Uani 1 1 d . . . . .
F47 F -0.0449(4) 0.1568(4) 0.8937(2) 0.082(2) Uani 1 1 d . . . . .
F48 F 0.0764(4) 0.2278(4) 0.91646(18) 0.0639(15) Uani 1 1 d . . . . .
O14 O -0.1783(4) 0.3227(4) 0.6838(2) 0.0475(15) Uani 1 1 d . . . . .
O15 O -0.2317(4) 0.2284(5) 0.7369(2) 0.071(2) Uani 1 1 d . . . . .
O16 O 0.2077(4) 0.4894(4) 0.73816(19) 0.0443(14) Uani 1 1 d . . . . .
O17 O 0.2543(4) 0.4573(5) 0.8094(2) 0.0635(19) Uani 1 1 d . . . . .
N6 N 0.0035(4) 0.4656(4) 0.6710(2) 0.0342(15) Uani 1 1 d . . . . .
N7 N -0.0969(4) 0.3561(4) 0.7271(2) 0.0362(15) Uani 1 1 d . . . . .
N8 N -0.0101(4) 0.3313(4) 0.8095(2) 0.0387(16) Uani 1 1 d . . . . .
N9 N 0.0919(4) 0.4367(4) 0.7541(2) 0.0319(14) Uani 1 1 d . . . . .
N10 N -0.0158(5) 0.6313(5) 0.5436(3) 0.060(2) Uani 1 1 d . . . . .
C57 C 0.0706(5) 0.4998(5) 0.6502(3) 0.0376(18) Uani 1 1 d . . . . .
C58 C 0.0690(5) 0.5295(6) 0.5960(3) 0.043(2) Uani 1 1 d . . . . .
C59 C -0.0017(5) 0.4938(5) 0.5866(3) 0.0404(19) Uani 1 1 d . . . . .
C60 C -0.0357(5) 0.4569(5) 0.6358(3) 0.0360(18) Uani 1 1 d . . . . .
C61 C 0.0317(7) 0.6257(6) 0.5827(4) 0.058(3) Uani 1 1 d . . . . .
H61A H -0.0081 0.6531 0.6099 0.070 Uiso 1 1 calc R U . . .
H61B H 0.0788 0.6514 0.5717 0.070 Uiso 1 1 calc R U . . .
C62 C -0.0648(6) 0.5702(6) 0.5610(3) 0.057(3) Uani 1 1 d . . . . .
H62A H -0.0809 0.5535 0.5343 0.069 Uiso 1 1 calc R U . . .
H62B H -0.1183 0.5945 0.5834 0.069 Uiso 1 1 calc R U . . .
C63 C -0.0731(7) 0.7178(7) 0.5309(5) 0.084(4) Uani 1 1 d . . . . .
H63A H -0.1190 0.7354 0.5580 0.126 Uiso 1 1 calc R U . . .
H63B H -0.0992 0.7182 0.5037 0.126 Uiso 1 1 calc R U . . .
H63C H -0.0385 0.7563 0.5227 0.126 Uiso 1 1 calc R U . . .
C64 C -0.0999(5) 0.4159(5) 0.6419(3) 0.0395(19) Uani 1 1 d . . . . .
C65 C -0.1235(5) 0.3684(5) 0.6852(3) 0.0378(19) Uani 1 1 d . . . . .
C66 C -0.1858(5) 0.2736(6) 0.7287(3) 0.049(2) Uani 1 1 d . . . . .
C67 C -0.1302(5) 0.2943(5) 0.7559(3) 0.041(2) Uani 1 1 d . . . . .
C68 C -0.1103(6) 0.2532(6) 0.8000(3) 0.047(2) Uani 1 1 d . . . . .
C69 C -0.0529(5) 0.2705(5) 0.8255(3) 0.0401(19) Uani 1 1 d . . . . .
C70 C -0.0248(6) 0.2245(6) 0.8686(3) 0.056(3) Uani 1 1 d . . . . .
C71 C 0.0316(5) 0.2590(6) 0.8796(3) 0.046(2) Uani 1 1 d . . . . .
C72 C 0.0423(5) 0.3249(5) 0.8427(3) 0.0386(19) Uani 1 1 d . . . . .
C73 C 0.1057(5) 0.3685(5) 0.8374(3) 0.042(2) Uani 1 1 d . . . . .
C74 C 0.1287(5) 0.4180(5) 0.7964(3) 0.0355(18) Uani 1 1 d . . . . .
C75 C 0.2022(6) 0.4526(6) 0.7873(3) 0.047(2) Uani 1 1 d . . . . .
C76 C 0.1389(5) 0.4768(5) 0.7217(3) 0.0338(18) Uani 1 1 d . . . . .
C77 C 0.1331(5) 0.5085(5) 0.6729(3) 0.0347(18) Uani 1 1 d . . . . .
C78 C -0.1387(6) 0.4097(6) 0.6003(3) 0.044(2) Uani 1 1 d . . . . .
C79 C -0.2143(7) 0.4669(7) 0.5883(4) 0.062(3) Uani 1 1 d . . . . .
C80 C -0.2572(7) 0.4575(7) 0.5541(4) 0.070(3) Uani 1 1 d . . . . .
C81 C -0.2213(8) 0.3871(9) 0.5300(4) 0.071(4) Uani 1 1 d . . . . .
C82 C -0.1460(7) 0.3275(7) 0.5404(3) 0.057(3) Uani 1 1 d . . . . .
C83 C -0.1043(6) 0.3385(6) 0.5754(3) 0.044(2) Uani 1 1 d . . . . .
C84 C -0.1462(6) 0.1807(6) 0.8213(3) 0.046(2) Uani 1 1 d . . . . .
C85 C -0.1137(6) 0.1050(6) 0.8009(4) 0.053(2) Uani 1 1 d . . . . .
C86 C -0.1404(6) 0.0362(6) 0.8222(4) 0.058(3) Uani 1 1 d . . . . .
C87 C -0.1993(7) 0.0387(7) 0.8633(4) 0.060(3) Uani 1 1 d . . . . .
C88 C -0.2354(8) 0.1127(9) 0.8831(4) 0.077(3) Uani 1 1 d . . . . .
C89 C -0.2093(7) 0.1842(7) 0.8616(3) 0.059(3) Uani 1 1 d . . . . .
C90 C 0.1507(6) 0.3590(5) 0.8802(3) 0.041(2) Uani 1 1 d . . . . .
C91 C 0.1021(6) 0.3930(6) 0.9220(3) 0.044(2) Uani 1 1 d . . . . .
C92 C 0.1423(7) 0.3859(7) 0.9613(3) 0.059(3) Uani 1 1 d . . . . .
C93 C 0.2307(7) 0.3453(7) 0.9591(3) 0.062(3) Uani 1 1 d . . . . .
C94 C 0.2786(7) 0.3117(7) 0.9183(4) 0.062(3) Uani 1 1 d . . . . .
C95 C 0.2393(6) 0.3169(6) 0.8791(3) 0.047(2) Uani 1 1 d . . . . .
C96 C 0.2066(6) 0.5411(6) 0.6446(3) 0.042(2) Uani 1 1 d . . . . .
C97 C 0.2007(8) 0.6248(7) 0.6352(3) 0.063(3) Uani 1 1 d . . . . .
C98 C 0.2721(9) 0.6518(8) 0.6081(4) 0.069(3) Uani 1 1 d . . . . .
C99 C 0.3488(9) 0.5929(10) 0.5913(4) 0.075(4) Uani 1 1 d . . . . .
C100 C 0.3573(6) 0.5098(8) 0.5996(3) 0.058(3) Uani 1 1 d . . . . .
C101 C 0.2862(6) 0.4860(7) 0.6265(3) 0.049(2) Uani 1 1 d . . . . .
C1A C -0.2967(14) 0.7569(14) 0.8612(9) 0.060(6) Uani 0.515(16) 1 d G U P B .
H1A H -0.2604 0.7624 0.8807 0.072 Uiso 0.515(16) 1 calc R U P B 2
C2A C -0.3074(14) 0.7964(12) 0.8133(9) 0.059(6) Uani 0.515(16) 1 d G U P B .
H2A H -0.2811 0.8377 0.7977 0.070 Uiso 0.515(16) 1 calc R U P B 2
C3A C -0.3702(15) 0.7679(15) 0.7983(8) 0.054(5) Uani 0.515(16) 1 d G U P B .
H3A H -0.3923 0.7885 0.7696 0.064 Uiso 0.515(16) 1 calc R U P B 2
C4A C -0.3984(15) 0.7107(16) 0.8370(10) 0.062(7) Uani 0.515(16) 1 d G U P B .
H4A H -0.4366 0.6801 0.8369 0.074 Uiso 0.515(16) 1 calc R U P B 2
C5A C -0.3529(18) 0.7039(15) 0.8759(7) 0.067(8) Uani 0.515(16) 1 d G U P B .
H5A1 H -0.3557 0.6686 0.9049 0.081 Uiso 0.515(16) 1 calc R U P B 2
P4A P -0.2509(2) 0.6253(2) 0.74319(12) 0.0554(8) Uani 0.760(2) 1 d D . P C 1
P5A P -0.2425(2) 0.5349(2) 0.84528(12) 0.0531(8) Uani 0.760(2) 1 d D . P B 1
P6A P -0.12496(19) 0.6538(2) 0.80218(11) 0.0418(7) Uani 0.760(2) 1 d D . P C 1
O18A O -0.2749(7) 0.6974(7) 0.7020(3) 0.081(3) Uani 0.760(2) 1 d D . P C 1
O19A O -0.3323(5) 0.5927(9) 0.7455(4) 0.084(4) Uani 0.760(2) 1 d D . P C 1
O20A O -0.3307(6) 0.5104(7) 0.8616(4) 0.085(3) Uani 0.760(2) 1 d D . P B 1
O21A O -0.215(2) 0.528(2) 0.8964(7) 0.078(5) Uani 0.760(2) 1 d D . P B 1
O22A O -0.0965(6) 0.6814(6) 0.8447(3) 0.070(3) Uani 0.760(2) 1 d D . P C 1
O23A O -0.1119(7) 0.7296(6) 0.7624(3) 0.052(3) Uani 0.760(2) 1 d D . P C 1
O24A O -0.1683(5) 0.5593(5) 0.7231(3) 0.0501(19) Uani 0.760(2) 1 d D . P C 1
O25A O -0.1763(5) 0.4665(5) 0.8170(3) 0.053(2) Uani 0.760(2) 1 d D . P B 1
O26A O -0.0567(4) 0.5710(4) 0.7877(3) 0.0439(17) Uani 0.760(2) 1 d D . P C 1
CP1A C -0.2060(16) 0.7329(13) 0.6759(7) 0.082(6) Uani 0.760(2) 1 d D . P C 1
HP1A H -0.2088 0.7812 0.6906 0.123 Uiso 0.760(2) 1 calc R U P C 1
HP1B H -0.2142 0.7504 0.6429 0.123 Uiso 0.760(2) 1 calc R U P C 1
HP1C H -0.1492 0.6907 0.6769 0.123 Uiso 0.760(2) 1 calc R U P C 1
CP2A C -0.3570(17) 0.5428(14) 0.7183(8) 0.109(9) Uani 0.760(2) 1 d D . P C 1
HP2A H -0.3443 0.5611 0.6845 0.163 Uiso 0.760(2) 1 calc R U P C 1
HP2B H -0.4192 0.5499 0.7278 0.163 Uiso 0.760(2) 1 calc R U P C 1
HP2C H -0.3240 0.4838 0.7246 0.163 Uiso 0.760(2) 1 calc R U P C 1
CP3A C -0.3520(16) 0.4527(13) 0.8373(6) 0.092(6) Uani 0.760(2) 1 d D . P B 1
HP3A H -0.3049 0.4333 0.8111 0.139 Uiso 0.760(2) 1 calc R U P C 1
HP3B H -0.4060 0.4818 0.8250 0.139 Uiso 0.760(2) 1 calc R U P C 1
HP3C H -0.3593 0.4048 0.8599 0.139 Uiso 0.760(2) 1 calc R U P C 1
CP4A C -0.195(2) 0.446(2) 0.9255(13) 0.089(7) Uani 0.760(2) 1 d D . P B 1
HP4A H -0.2318 0.4145 0.9202 0.133 Uiso 0.760(2) 1 calc R U P C 1
HP4B H -0.2071 0.4539 0.9590 0.133 Uiso 0.760(2) 1 calc R U P C 1
HP4C H -0.1340 0.4141 0.9164 0.133 Uiso 0.760(2) 1 calc R U P C 1
CP5A C -0.0643(13) 0.6217(11) 0.8832(7) 0.071(5) Uani 0.760(2) 1 d D . P C 1
HP5A H -0.0685 0.5672 0.8799 0.106 Uiso 0.760(2) 1 calc R U P C 1
HP5B H -0.0989 0.6403 0.9134 0.106 Uiso 0.760(2) 1 calc R U P C 1
HP5C H -0.0035 0.6169 0.8824 0.106 Uiso 0.760(2) 1 calc R U P C 1
CP6A C -0.0246(10) 0.7373(12) 0.7440(6) 0.063(5) Uani 0.760(2) 1 d D . P C 1
HP6A H -0.0066 0.7599 0.7673 0.094 Uiso 0.760(2) 1 calc R U P C 1
HP6B H -0.0257 0.7749 0.7144 0.094 Uiso 0.760(2) 1 calc R U P C 1
HP6C H 0.0165 0.6823 0.7379 0.094 Uiso 0.760(2) 1 calc R U P C 1
P4B P -0.1582(6) 0.6700(7) 0.7560(4) 0.0554(8) Uani 0.240(2) 1 d D . P B 2
P5B P -0.1719(6) 0.5652(7) 0.8574(4) 0.0531(8) Uani 0.240(2) 1 d D . P C 2
P6B P -0.2865(6) 0.5553(6) 0.7883(3) 0.0418(7) Uani 0.240(2) 1 d D . P C 2
O18B O -0.195(2) 0.7333(18) 0.7120(9) 0.081(3) Uani 0.240(2) 1 d D . P B 2
O19B O -0.101(2) 0.714(3) 0.7777(18) 0.084(4) Uani 0.240(2) 1 d D . P B 2
O20B O -0.1386(18) 0.613(2) 0.8902(11) 0.085(3) Uani 0.240(2) 1 d D . P C 2
O21B O -0.225(7) 0.510(8) 0.896(2) 0.078(5) Uani 0.240(2) 1 d D . P C 2
O22B O -0.3569(17) 0.519(2) 0.8252(9) 0.070(3) Uani 0.240(2) 1 d D . P C 2
O23B O -0.358(2) 0.598(2) 0.7532(12) 0.052(3) Uani 0.240(2) 1 d D . P C 2
O24B O -0.0950(14) 0.5883(13) 0.7348(8) 0.0501(19) Uani 0.240(2) 1 d D . P B 2
O25B O -0.0900(13) 0.5065(14) 0.8301(9) 0.053(2) Uani 0.240(2) 1 d D . P C 2
O26B O -0.2075(12) 0.4821(12) 0.7712(9) 0.0439(17) Uani 0.240(2) 1 d D . P C 2
CP1B C -0.214(7) 0.707(6) 0.671(2) 0.082(6) Uani 0.240(2) 1 d D . P B 2
HP1D H -0.1611 0.6927 0.6474 0.123 Uiso 0.240(2) 1 calc R U P C 2
HP1E H -0.2591 0.7522 0.6576 0.123 Uiso 0.240(2) 1 calc R U P C 2
HP1F H -0.2338 0.6577 0.6817 0.123 Uiso 0.240(2) 1 calc R U P C 2
CP2B C -0.033(5) 0.754(6) 0.756(3) 0.109(9) Uani 0.240(2) 1 d D . P B 2
HP2D H 0.0232 0.7109 0.7510 0.163 Uiso 0.240(2) 1 calc R U P C 2
HP2E H -0.0318 0.7909 0.7781 0.163 Uiso 0.240(2) 1 calc R U P C 2
HP2F H -0.0466 0.7863 0.7263 0.163 Uiso 0.240(2) 1 calc R U P C 2
CP3B C -0.066(4) 0.649(5) 0.882(3) 0.092(6) Uani 0.240(2) 1 d D . P C 2
HP3D H -0.0183 0.6104 0.8969 0.139 Uiso 0.240(2) 1 calc R U P C 2
HP3E H -0.0864 0.7023 0.8954 0.139 Uiso 0.240(2) 1 calc R U P C 2
HP3F H -0.0459 0.6585 0.8477 0.139 Uiso 0.240(2) 1 calc R U P C 2
CP4B C -0.180(9) 0.456(8) 0.934(5) 0.089(7) Uani 0.240(2) 1 d D . P C 2
HP4D H -0.1180 0.4324 0.9217 0.133 Uiso 0.240(2) 1 calc R U P C 2
HP4E H -0.2052 0.4112 0.9469 0.133 Uiso 0.240(2) 1 calc R U P C 2
HP4F H -0.1859 0.4894 0.9600 0.133 Uiso 0.240(2) 1 calc R U P C 2
CP5B C -0.346(6) 0.436(3) 0.853(2) 0.071(5) Uani 0.240(2) 1 d D . P C 2
HP5D H -0.2847 0.4043 0.8502 0.106 Uiso 0.240(2) 1 calc R U P C 2
HP5E H -0.3772 0.4060 0.8415 0.106 Uiso 0.240(2) 1 calc R U P C 2
HP5F H -0.3706 0.4436 0.8867 0.106 Uiso 0.240(2) 1 calc R U P C 2
CP6B C -0.344(5) 0.568(4) 0.7070(16) 0.063(5) Uani 0.240(2) 1 d D . P C 2
HP6D H -0.2895 0.5223 0.7027 0.094 Uiso 0.240(2) 1 calc R U P C 2
HP6E H -0.3426 0.6132 0.6816 0.094 Uiso 0.240(2) 1 calc R U P C 2
HP6F H -0.3922 0.5469 0.7060 0.094 Uiso 0.240(2) 1 calc R U P C 2
C1B C -0.2939(14) 0.7823(15) 0.8358(10) 0.060(6) Uani 0.485(16) 1 d G . P B 2
H1B H -0.2498 0.8067 0.8345 0.072 Uiso 0.485(16) 1 calc R U P B 2
C2B C -0.3355(17) 0.7907(13) 0.7967(8) 0.059(6) Uani 0.485(16) 1 d G . P B 2
H2B H -0.3251 0.8193 0.7660 0.070 Uiso 0.485(16) 1 calc R U P B 2
C3B C -0.3925(15) 0.7414(15) 0.8093(10) 0.054(5) Uani 0.485(16) 1 d G . P B 2
H3B H -0.4278 0.7353 0.7894 0.064 Uiso 0.485(16) 1 calc R U P B 2
C4B C -0.3860(16) 0.7025(16) 0.8562(11) 0.062(7) Uani 0.485(16) 1 d G . P B 2
H4B H -0.4222 0.6718 0.8749 0.074 Uiso 0.485(16) 1 calc R U P B 2
C5B C -0.3251(18) 0.7278(18) 0.8726(8) 0.067(8) Uani 0.485(16) 1 d G . P B 2
H5B1 H -0.3135 0.7188 0.9039 0.081 Uiso 0.485(16) 1 calc R U P B 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
Yb1 O13 2.198(5) . ?
Yb1 O12 2.205(6) . ?
Yb1 O11 2.206(5) . ?
Yb1 N2 2.364(6) . ?
Yb1 N4 2.373(6) . ?
Yb1 N3 2.375(6) . ?
Yb1 N1 2.463(6) . ?
Yb1 P3 3.424(2) . ?
Yb1 P1 3.446(2) . ?
Yb1 P2 3.456(3) . ?
Co1 C52B 1.99(3) . ?
Co1 C56B 2.03(3) . ?
Co1 C53B 2.04(2) . ?
Co1 C54A 2.094(14) . ?
Co1 C53A 2.094(13) . ?
Co1 C55A 2.096(16) . ?
Co1 C52A 2.097(15) . ?
Co1 C56A 2.098(17) . ?
Co1 C55B 2.11(2) . ?
Co1 C54B 2.11(2) . ?
Co1 P2 2.152(3) . ?
Co1 P1 2.159(3) . ?
P1 O11 1.502(6) . ?
P1 O5 1.570(7) . ?
P1 O6 1.605(7) . ?
P2 O12 1.518(6) . ?
P2 O8 1.561(8) . ?
P2 O7 1.595(8) . ?
P3 O13 1.489(6) . ?
P3 O10 1.542(10) . ?
P3 O9 1.603(9) . ?
F1 C27 1.326(10) . ?
F2 C26 1.360(11) . ?
F3 C25 1.325(10) . ?
F4 C24 1.329(12) . ?
F5 C23 1.327(11) . ?
F6 C29 1.332(10) . ?
F7 C30 1.338(10) . ?
F8 C31 1.344(10) . ?
F9 C32 1.345(10) . ?
F10 C33 1.355(9) . ?
F11 C35 1.343(13) . ?
F12 C36 1.347(14) . ?
F13 C37 1.353(12) . ?
F14 C38 1.337(13) . ?
F15 C39 1.333(12) . ?
F16 C41 1.328(11) . ?
F17 C42 1.322(11) . ?
F18 C43 1.334(10) . ?
F19 C44 1.342(12) . ?
F20 C45 1.343(11) . ?
F21 C2 1.389(10) . ?
F22 C3 1.398(9) . ?
F23 C14 1.342(9) . ?
F24 C15 1.340(9) . ?
O1 C9 1.372(8) . ?
O1 C10 1.403(9) . ?
O2 C10 1.188(9) . ?
O3 C20 1.371(9) . ?
O3 C19 1.379(11) . ?
O4 C19 1.208(10) . ?
O5 C46 1.471(12) . ?
O6 C47 1.404(11) . ?
O7 C48 1.445(13) . ?
O8 C49 1.453(16) . ?
O9 C50 1.418(13) . ?
O10 C51 1.412(17) . ?
N1 C4 1.364(9) . ?
N1 C1 1.374(9) . ?
N2 C9 1.325(9) . ?
N2 C11 1.393(9) . ?
N3 C13 1.385(10) . ?
N3 C16 1.397(9) . ?
N4 C20 1.302(10) . ?
N4 C18 1.398(10) . ?
N5 C7 1.446(14) . ?
N5 C6 1.448(12) . ?
N5 C5 1.451(11) . ?
C1 C21 1.387(11) . ?
C1 C2 1.517(11) . ?
C2 C5 1.499(13) . ?
C2 C3 1.554(11) . ?
C3 C4 1.497(11) . ?
C3 C6 1.508(13) . ?
C4 C8 1.379(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 H6A 0.9700 . ?
C6 H6B 0.9700 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.410(10) . ?
C8 C22 1.508(10) . ?
C10 C11 1.473(10) . ?
C11 C12 1.355(10) . ?
C12 C13 1.437(11) . ?
C12 C28 1.498(10) . ?
C13 C14 1.419(11) . ?
C14 C15 1.333(12) . ?
C15 C16 1.418(11) . ?
C16 C17 1.394(11) . ?
C17 C18 1.349(11) . ?
C17 C34 1.502(11) . ?
C18 C19 1.452(12) . ?
C20 C21 1.415(11) . ?
C21 C40 1.478(11) . ?
C22 C23 1.366(12) . ?
C22 C27 1.385(12) . ?
C23 C24 1.385(12) . ?
C24 C25 1.380(15) . ?
C25 C26 1.332(15) . ?
C26 C27 1.397(12) . ?
C28 C33 1.378(11) . ?
C28 C29 1.380(11) . ?
C29 C30 1.409(12) . ?
C30 C31 1.340(14) . ?
C31 C32 1.370(13) . ?
C32 C33 1.364(12) . ?
C34 C35 1.372(13) . ?
C34 C39 1.379(13) . ?
C35 C36 1.370(14) . ?
C36 C37 1.286(18) . ?
C37 C38 1.354(18) . ?
C38 C39 1.392(15) . ?
C40 C41 1.381(13) . ?
C40 C45 1.383(12) . ?
C41 C42 1.364(12) . ?
C42 C43 1.359(14) . ?
C43 C44 1.372(15) . ?
C44 C45 1.394(13) . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
C52A C53A 1.420(14) . ?
C52A C56A 1.420(14) . ?
C52A H52A 0.9300 . ?
C53A C54A 1.420(14) . ?
C53A H53A 0.9300 . ?
C54A C55A 1.420(14) . ?
C54A H54A 0.9300 . ?
C55A C56A 1.420(14) . ?
C55A H55A 0.9300 . ?
C56A H56A 0.9300 . ?
C52B C53B 1.38(2) . ?
C52B C56B 1.38(2) . ?
C52B H52B 0.9300 . ?
C53B C54B 1.38(2) . ?
C53B H53B 0.9300 . ?
C54B C55B 1.38(2) . ?
C54B H54B 0.9300 . ?
C55B C56B 1.38(2) . ?
C55B H55B 0.9300 . ?
C56B H56B 0.9300 . ?
Yb2 O24B 2.07(2) . ?
Yb2 O25A 2.207(7) . ?
Yb2 O26A 2.217(7) . ?
Yb2 O25B 2.23(2) . ?
Yb2 O26B 2.233(19) . ?
Yb2 O24A 2.251(7) . ?
Yb2 N7 2.354(6) . ?
Yb2 N9 2.373(6) . ?
Yb2 N8 2.382(7) . ?
Yb2 N6 2.479(6) . ?
Yb2 P4B 3.352(11) . ?
Yb2 P5B 3.435(10) . ?
Co2 C5B 2.05(3) . ?
Co2 C4B 2.05(3) . ?
Co2 C4A 2.06(2) . ?
Co2 C3A 2.07(2) . ?
Co2 C1B 2.07(2) . ?
Co2 C3B 2.08(2) . ?
Co2 C2B 2.09(2) . ?
Co2 C5A 2.09(2) . ?
Co2 C2A 2.100(19) . ?
Co2 P4B 2.115(11) . ?
Co2 C1A 2.115(19) . ?
Co2 P5A 2.134(4) . ?
F25 C79 1.346(12) . ?
F26 C80 1.343(12) . ?
F27 C81 1.329(11) . ?
F28 C82 1.322(12) . ?
F29 C83 1.326(10) . ?
F30 C85 1.351(10) . ?
F31 C86 1.361(11) . ?
F32 C87 1.335(10) . ?
F33 C88 1.324(11) . ?
F34 C89 1.325(11) . ?
F35 C91 1.332(9) . ?
F36 C92 1.341(11) . ?
F37 C93 1.343(10) . ?
F38 C94 1.346(11) . ?
F39 C95 1.323(10) . ?
F40 C97 1.340(12) . ?
F41 C98 1.358(13) . ?
F42 C99 1.343(11) . ?
F43 C100 1.327(12) . ?
F44 C101 1.346(11) . ?
F45 C58 1.356(9) . ?
F46 C59 1.375(9) . ?
F47 C70 1.330(10) . ?
F48 C71 1.341(9) . ?
O14 C65 1.367(9) . ?
O14 C66 1.400(10) . ?
O15 C66 1.195(10) . ?
O16 C76 1.393(9) . ?
O16 C75 1.426(10) . ?
O17 C75 1.191(10) . ?
N6 C60 1.354(9) . ?
N6 C57 1.374(10) . ?
N7 C65 1.318(10) . ?
N7 C67 1.387(10) . ?
N8 C72 1.376(10) . ?
N8 C69 1.381(9) . ?
N9 C76 1.307(9) . ?
N9 C74 1.405(9) . ?
N10 C62 1.458(11) . ?
N10 C61 1.463(12) . ?
N10 C63 1.471(13) . ?
C57 C77 1.376(11) . ?
C57 C58 1.541(11) . ?
C58 C61 1.532(12) . ?
C58 C59 1.553(11) . ?
C59 C60 1.497(11) . ?
C59 C62 1.531(12) . ?
C60 C64 1.397(11) . ?
C61 H61A 0.9700 . ?
C61 H61B 0.9700 . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 H63A 0.9600 . ?
C63 H63B 0.9600 . ?
C63 H63C 0.9600 . ?
C64 C65 1.399(11) . ?
C64 C78 1.494(11) . ?
C66 C67 1.466(11) . ?
C67 C68 1.373(12) . ?
C68 C69 1.428(11) . ?
C68 C84 1.501(11) . ?
C69 C70 1.413(12) . ?
C70 C71 1.348(12) . ?
C71 C72 1.414(11) . ?
C72 C73 1.422(11) . ?
C73 C74 1.368(11) . ?
C73 C90 1.513(11) . ?
C74 C75 1.453(11) . ?
C76 C77 1.412(11) . ?
C77 C96 1.495(11) . ?
C78 C79 1.353(13) . ?
C78 C83 1.385(12) . ?
C79 C80 1.373(14) . ?
C80 C81 1.362(16) . ?
C81 C82 1.350(15) . ?
C82 C83 1.393(12) . ?
C84 C89 1.358(12) . ?
C84 C85 1.381(13) . ?
C85 C86 1.365(13) . ?
C86 C87 1.337(14) . ?
C87 C88 1.348(15) . ?
C88 C89 1.402(14) . ?
C90 C95 1.372(12) . ?
C90 C91 1.377(12) . ?
C91 C92 1.387(13) . ?
C92 C93 1.363(14) . ?
C93 C94 1.349(14) . ?
C94 C95 1.381(12) . ?
C96 C97 1.358(13) . ?
C96 C101 1.369(13) . ?
C97 C98 1.409(14) . ?
C98 C99 1.356(17) . ?
C99 C100 1.338(16) . ?
C100 C101 1.378(12) . ?
C1A C5B 0.77(2) . ?
C1A C1B 0.774(19) . ?
C1A C5A 1.431(19) . ?
C1A C2A 1.431(19) . ?
C1A C4B 2.00(2) . ?
C1A C2B 2.003(18) . ?
C1A H1A 0.9300 . ?
C2A C1B 0.700(18) . ?
C2A C2B 0.763(16) . ?
C2A C3A 1.431(19) . ?
C2A C5B 1.896(19) . ?
C2A C3B 1.935(17) . ?
C2A H2A 0.9300 . ?
C3A C3B 0.660(19) . ?
C3A C2B 0.771(17) . ?
C3A C4A 1.431(19) . ?
C3A C4B 1.83(2) . ?
C3A C1B 1.90(2) . ?
C3A H3A 0.9300 . ?
C4A C4B 0.60(3) . ?
C4A C3B 0.87(2) . ?
C4A C5A 1.431(19) . ?
C4A C5B 1.84(3) . ?
C4A C2B 2.008(19) . ?
C4A H4A 0.9300 . ?
C5A C5B 0.68(3) . ?
C5A C4B 0.87(3) . ?
C5A C1B 1.95(2) . ?
C5A H5A1 0.9300 . ?
P4A O24A 1.500(7) . ?
P4A O18A 1.543(9) . ?
P4A O19A 1.578(10) . ?
P5A O25A 1.498(8) . ?
P5A O20A 1.575(9) . ?
P5A O21A 1.589(17) . ?
P6A O26A 1.518(7) . ?
P6A O22A 1.576(8) . ?
P6A O23A 1.586(8) . ?
O18A CP1A 1.447(17) . ?
O19A CP2A 1.433(14) . ?
O20A CP3A 1.449(16) . ?
O21A CP4A 1.454(16) . ?
O22A CP5A 1.413(14) . ?
O23A CP6A 1.443(12) . ?
CP1A HP1A 0.9600 . ?
CP1A HP1B 0.9600 . ?
CP1A HP1C 0.9600 . ?
CP2A HP2A 0.9600 . ?
CP2A HP2B 0.9600 . ?
CP2A HP2C 0.9600 . ?
CP3A HP3A 0.9600 . ?
CP3A HP3B 0.9600 . ?
CP3A HP3C 0.9600 . ?
CP4A HP4A 0.9600 . ?
CP4A HP4B 0.9600 . ?
CP4A HP4C 0.9600 . ?
CP5A HP5A 0.9600 . ?
CP5A HP5B 0.9600 . ?
CP5A HP5C 0.9600 . ?
CP6A HP6A 0.9600 . ?
CP6A HP6B 0.9600 . ?
CP6A HP6C 0.9600 . ?
P4B O24B 1.542(16) . ?
P4B O18B 1.580(17) . ?
P4B O19B 1.624(19) . ?
P5B O25B 1.512(16) . ?
P5B O21B 1.60(2) . ?
P5B O20B 1.608(18) . ?
P6B O26B 1.510(16) . ?
P6B O22B 1.583(18) . ?
P6B O23B 1.601(19) . ?
O18B CP1B 1.44(2) . ?
O19B CP2B 1.45(2) . ?
O20B CP3B 1.46(2) . ?
O21B CP4B 1.45(2) . ?
O22B CP5B 1.45(2) . ?
O23B CP6B 1.45(2) . ?
CP1B HP1D 0.9600 . ?
CP1B HP1E 0.9600 . ?
CP1B HP1F 0.9600 . ?
CP2B HP2D 0.9600 . ?
CP2B HP2E 0.9600 . ?
CP2B HP2F 0.9600 . ?
CP3B HP3D 0.9600 . ?
CP3B HP3E 0.9600 . ?
CP3B HP3F 0.9600 . ?
CP4B HP4D 0.9600 . ?
CP4B HP4E 0.9600 . ?
CP4B HP4F 0.9600 . ?
CP5B HP5D 0.9600 . ?
CP5B HP5E 0.9600 . ?
CP5B HP5F 0.9600 . ?
CP6B HP6D 0.9600 . ?
CP6B HP6E 0.9600 . ?
CP6B HP6F 0.9600 . ?
C1B C5B 1.39(2) . ?
C1B C2B 1.39(2) . ?
C1B H1B 0.9300 . ?
C2B C3B 1.39(2) . ?
C2B H2B 0.9300 . ?
C3B C4B 1.39(2) . ?
C3B H3B 0.9300 . ?
C4B C5B 1.39(2) . ?
C4B H4B 0.9300 . ?
C5B H5B1 0.9300 . ?
 
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
O13 Yb1 O12 81.4(3) . . ?
O13 Yb1 O11 82.1(2) . . ?
O12 Yb1 O11 81.1(2) . . ?
O13 Yb1 N2 143.5(3) . . ?
O12 Yb1 N2 122.3(2) . . ?
O11 Yb1 N2 75.6(2) . . ?
O13 Yb1 N4 81.7(2) . . ?
O12 Yb1 N4 100.0(2) . . ?
O11 Yb1 N4 163.5(2) . . ?
N2 Yb1 N4 116.3(2) . . ?
O13 Yb1 N3 81.2(2) . . ?
O12 Yb1 N3 162.4(2) . . ?
O11 Yb1 N3 98.8(2) . . ?
N2 Yb1 N3 74.1(2) . . ?
N4 Yb1 N3 75.2(2) . . ?
O13 Yb1 N1 141.5(3) . . ?
O12 Yb1 N1 74.0(2) . . ?
O11 Yb1 N1 121.5(2) . . ?
N2 Yb1 N1 74.90(19) . . ?
N4 Yb1 N1 74.2(2) . . ?
N3 Yb1 N1 119.5(2) . . ?
O13 Yb1 P3 17.69(16) . . ?
O12 Yb1 P3 69.55(18) . . ?
O11 Yb1 P3 67.99(16) . . ?
N2 Yb1 P3 139.45(15) . . ?
N4 Yb1 P3 96.78(15) . . ?
N3 Yb1 P3 94.00(14) . . ?
N1 Yb1 P3 140.21(15) . . ?
O13 Yb1 P1 70.38(18) . . ?
O12 Yb1 P1 66.95(16) . . ?
O11 Yb1 P1 17.69(15) . . ?
N2 Yb1 P1 92.48(14) . . ?
N4 Yb1 P1 150.43(14) . . ?
N3 Yb1 P1 108.95(15) . . ?
N1 Yb1 P1 123.03(15) . . ?
P3 Yb1 P1 54.18(7) . . ?
O13 Yb1 P2 67.81(17) . . ?
O12 Yb1 P2 17.91(16) . . ?
O11 Yb1 P2 68.57(16) . . ?
N2 Yb1 P2 126.86(15) . . ?
N4 Yb1 P2 108.25(16) . . ?
N3 Yb1 P2 147.55(14) . . ?
N1 Yb1 P2 91.68(15) . . ?
P3 Yb1 P2 53.69(7) . . ?
P1 Yb1 P2 52.41(7) . . ?
C52B Co1 C56B 40.1(6) . . ?
C52B Co1 C53B 40.0(6) . . ?
C56B Co1 C53B 66.5(10) . . ?
C54A Co1 C53A 39.6(3) . . ?
C54A Co1 C55A 39.6(3) . . ?
C53A Co1 C55A 66.5(6) . . ?
C54A Co1 C52A 66.5(6) . . ?
C53A Co1 C52A 39.6(4) . . ?
C55A Co1 C52A 66.4(6) . . ?
C54A Co1 C56A 66.5(6) . . ?
C53A Co1 C56A 66.5(6) . . ?
C55A Co1 C56A 39.6(4) . . ?
C52A Co1 C56A 39.6(4) . . ?
C52B Co1 C55B 66.0(9) . . ?
C56B Co1 C55B 38.9(6) . . ?
C53B Co1 C55B 65.2(9) . . ?
C52B Co1 C54B 65.9(9) . . ?
C56B Co1 C54B 65.2(9) . . ?
C53B Co1 C54B 38.8(6) . . ?
C55B Co1 C54B 38.2(5) . . ?
C52B Co1 P2 119.7(9) . . ?
C56B Co1 P2 158.4(8) . . ?
C53B Co1 P2 92.4(7) . . ?
C54A Co1 P2 89.1(4) . . ?
C53A Co1 P2 99.1(5) . . ?
C55A Co1 P2 116.5(5) . . ?
C52A Co1 P2 136.6(6) . . ?
C56A Co1 P2 154.8(5) . . ?
C55B Co1 P2 137.2(8) . . ?
C54B Co1 P2 101.8(7) . . ?
C52B Co1 P1 149.2(8) . . ?
C56B Co1 P1 109.2(9) . . ?
C53B Co1 P1 140.5(8) . . ?
C54A Co1 P1 124.1(5) . . ?
C53A Co1 P1 160.5(4) . . ?
C55A Co1 P1 94.0(5) . . ?
C52A Co1 P1 133.4(6) . . ?
C56A Co1 P1 98.5(5) . . ?
C55B Co1 P1 87.0(6) . . ?
C54B Co1 P1 102.3(7) . . ?
P2 Co1 P1 89.98(11) . . ?
O11 P1 O5 107.0(4) . . ?
O11 P1 O6 108.7(4) . . ?
O5 P1 O6 99.1(4) . . ?
O11 P1 Co1 118.8(3) . . ?
O5 P1 Co1 113.0(3) . . ?
O6 P1 Co1 108.4(3) . . ?
O11 P1 Yb1 26.5(2) . . ?
O5 P1 Yb1 117.8(3) . . ?
O6 P1 Yb1 125.9(3) . . ?
Co1 P1 Yb1 92.67(8) . . ?
O12 P2 O8 106.4(4) . . ?
O12 P2 O7 109.4(4) . . ?
O8 P2 O7 98.5(5) . . ?
O12 P2 Co1 119.0(3) . . ?
O8 P2 Co1 115.3(3) . . ?
O7 P2 Co1 106.2(3) . . ?
O12 P2 Yb1 26.5(2) . . ?
O8 P2 Yb1 121.2(4) . . ?
O7 P2 Yb1 123.1(3) . . ?
Co1 P2 Yb1 92.53(9) . . ?
O13 P3 O10 108.2(5) . . ?
O13 P3 O9 107.7(5) . . ?
O10 P3 O9 98.7(7) . . ?
O13 P3 Co1 119.6(3) . . ?
O10 P3 Co1 114.1(5) . . ?
O9 P3 Co1 106.2(3) . . ?
O13 P3 Yb1 26.7(2) . . ?
O10 P3 Yb1 121.5(4) . . ?
O9 P3 Yb1 122.9(4) . . ?
Co1 P3 Yb1 93.21(8) . . ?
C9 O1 C10 107.6(5) . . ?
C20 O3 C19 106.6(7) . . ?
C46 O5 P1 122.1(6) . . ?
C47 O6 P1 119.3(7) . . ?
C48 O7 P2 121.3(8) . . ?
C49 O8 P2 120.5(9) . . ?
C50 O9 P3 121.9(9) . . ?
C51 O10 P3 125.1(9) . . ?
P1 O11 Yb1 135.8(3) . . ?
P2 O12 Yb1 135.5(4) . . ?
P3 O13 Yb1 135.7(4) . . ?
C4 N1 C1 109.4(6) . . ?
C4 N1 Yb1 124.4(5) . . ?
C1 N1 Yb1 124.6(4) . . ?
C9 N2 C11 106.8(6) . . ?
C9 N2 Yb1 121.4(5) . . ?
C11 N2 Yb1 119.2(4) . . ?
C13 N3 C16 106.7(6) . . ?
C13 N3 Yb1 123.7(5) . . ?
C16 N3 Yb1 126.3(5) . . ?
C20 N4 C18 107.5(6) . . ?
C20 N4 Yb1 123.2(5) . . ?
C18 N4 Yb1 123.2(5) . . ?
C7 N5 C6 112.9(9) . . ?
C7 N5 C5 113.9(9) . . ?
C6 N5 C5 103.8(7) . . ?
N1 C1 C21 126.7(7) . . ?
N1 C1 C2 112.2(6) . . ?
C21 C1 C2 121.0(7) . . ?
F21 C2 C5 111.5(7) . . ?
F21 C2 C1 108.1(7) . . ?
C5 C2 C1 119.3(7) . . ?
F21 C2 C3 111.0(7) . . ?
C5 C2 C3 104.4(7) . . ?
C1 C2 C3 102.0(6) . . ?
F22 C3 C4 109.4(6) . . ?
F22 C3 C6 110.2(7) . . ?
C4 C3 C6 119.5(7) . . ?
F22 C3 C2 109.4(7) . . ?
C4 C3 C2 104.2(6) . . ?
C6 C3 C2 103.6(7) . . ?
N1 C4 C8 125.9(7) . . ?
N1 C4 C3 112.0(6) . . ?
C8 C4 C3 122.1(6) . . ?
N5 C5 C2 103.0(8) . . ?
N5 C5 H5A 111.2 . . ?
C2 C5 H5A 111.2 . . ?
N5 C5 H5B 111.2 . . ?
C2 C5 H5B 111.2 . . ?
H5A C5 H5B 109.1 . . ?
N5 C6 C3 103.0(8) . . ?
N5 C6 H6A 111.2 . . ?
C3 C6 H6A 111.2 . . ?
N5 C6 H6B 111.2 . . ?
C3 C6 H6B 111.2 . . ?
H6A C6 H6B 109.1 . . ?
N5 C7 H7A 109.5 . . ?
N5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 C9 124.4(6) . . ?
C4 C8 C22 120.0(7) . . ?
C9 C8 C22 115.4(6) . . ?
N2 C9 O1 113.1(6) . . ?
N2 C9 C8 129.3(7) . . ?
O1 C9 C8 117.6(6) . . ?
O2 C10 O1 121.3(7) . . ?
O2 C10 C11 134.7(8) . . ?
O1 C10 C11 104.1(6) . . ?
C12 C11 N2 125.9(6) . . ?
C12 C11 C10 126.0(7) . . ?
N2 C11 C10 108.1(6) . . ?
C11 C12 C13 124.7(7) . . ?
C11 C12 C28 119.8(6) . . ?
C13 C12 C28 115.3(6) . . ?
N3 C13 C14 108.6(7) . . ?
N3 C13 C12 124.1(7) . . ?
C14 C13 C12 127.4(8) . . ?
C15 C14 F23 125.5(8) . . ?
C15 C14 C13 108.0(7) . . ?
F23 C14 C13 126.2(8) . . ?
C14 C15 F24 125.2(8) . . ?
C14 C15 C16 108.9(7) . . ?
F24 C15 C16 125.9(7) . . ?
C17 C16 N3 124.8(7) . . ?
C17 C16 C15 127.5(7) . . ?
N3 C16 C15 107.7(7) . . ?
C18 C17 C16 126.6(7) . . ?
C18 C17 C34 115.2(7) . . ?
C16 C17 C34 117.9(7) . . ?
C17 C18 N4 126.6(7) . . ?
C17 C18 C19 127.0(8) . . ?
N4 C18 C19 106.3(7) . . ?
O4 C19 O3 119.8(9) . . ?
O4 C19 C18 134.1(9) . . ?
O3 C19 C18 106.2(7) . . ?
N4 C20 O3 113.2(7) . . ?
N4 C20 C21 130.4(7) . . ?
O3 C20 C21 116.2(7) . . ?
C1 C21 C20 122.3(7) . . ?
C1 C21 C40 121.2(7) . . ?
C20 C21 C40 115.9(7) . . ?
C23 C22 C27 117.7(7) . . ?
C23 C22 C8 120.7(8) . . ?
C27 C22 C8 121.5(7) . . ?
F5 C23 C22 119.9(7) . . ?
F5 C23 C24 118.2(9) . . ?
C22 C23 C24 121.9(9) . . ?
F4 C24 C25 119.6(8) . . ?
F4 C24 C23 121.0(10) . . ?
C25 C24 C23 119.4(10) . . ?
F3 C25 C26 120.5(10) . . ?
F3 C25 C24 119.9(10) . . ?
C26 C25 C24 119.7(8) . . ?
C25 C26 F2 121.5(9) . . ?
C25 C26 C27 121.3(9) . . ?
F2 C26 C27 117.0(10) . . ?
F1 C27 C22 120.3(7) . . ?
F1 C27 C26 119.7(8) . . ?
C22 C27 C26 120.0(9) . . ?
C33 C28 C29 116.4(7) . . ?
C33 C28 C12 123.4(7) . . ?
C29 C28 C12 120.2(7) . . ?
F6 C29 C28 120.7(7) . . ?
F6 C29 C30 117.7(8) . . ?
C28 C29 C30 121.4(8) . . ?
F7 C30 C31 121.8(9) . . ?
F7 C30 C29 119.0(9) . . ?
C31 C30 C29 119.1(8) . . ?
C30 C31 F8 120.1(9) . . ?
C30 C31 C32 120.9(9) . . ?
F8 C31 C32 119.0(10) . . ?
F9 C32 C33 120.3(9) . . ?
F9 C32 C31 120.3(9) . . ?
C33 C32 C31 119.4(9) . . ?
F10 C33 C32 117.7(8) . . ?
F10 C33 C28 119.6(7) . . ?
C32 C33 C28 122.7(8) . . ?
C35 C34 C39 115.1(9) . . ?
C35 C34 C17 122.8(8) . . ?
C39 C34 C17 121.5(8) . . ?
F11 C35 C36 120.2(10) . . ?
F11 C35 C34 118.1(9) . . ?
C36 C35 C34 121.7(11) . . ?
C37 C36 F12 119.5(11) . . ?
C37 C36 C35 122.0(12) . . ?
F12 C36 C35 118.5(11) . . ?
C36 C37 F13 123.1(14) . . ?
C36 C37 C38 120.2(11) . . ?
F13 C37 C38 116.6(14) . . ?
F14 C38 C37 122.7(12) . . ?
F14 C38 C39 118.2(12) . . ?
C37 C38 C39 118.9(11) . . ?
F15 C39 C34 118.8(9) . . ?
F15 C39 C38 119.4(10) . . ?
C34 C39 C38 121.8(10) . . ?
C41 C40 C45 116.2(8) . . ?
C41 C40 C21 121.7(8) . . ?
C45 C40 C21 121.9(8) . . ?
F16 C41 C42 117.9(9) . . ?
F16 C41 C40 119.2(8) . . ?
C42 C41 C40 122.8(10) . . ?
F17 C42 C43 118.3(9) . . ?
F17 C42 C41 121.6(10) . . ?
C43 C42 C41 120.0(10) . . ?
F18 C43 C42 122.3(11) . . ?
F18 C43 C44 117.7(10) . . ?
C42 C43 C44 120.0(9) . . ?
F19 C44 C43 121.9(10) . . ?
F19 C44 C45 118.8(10) . . ?
C43 C44 C45 119.3(9) . . ?
F20 C45 C40 120.0(8) . . ?
F20 C45 C44 118.3(9) . . ?
C40 C45 C44 121.7(9) . . ?
O5 C46 H46A 109.5 . . ?
O5 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
O5 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
O6 C47 H47A 109.5 . . ?
O6 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
O6 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
O7 C48 H48A 109.5 . . ?
O7 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
O7 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O8 C49 H49A 109.5 . . ?
O8 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
O8 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
O9 C50 H50A 109.5 . . ?
O9 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
O9 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
O10 C51 H51A 109.5 . . ?
O10 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
O10 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
C53A C52A C56A 108.0 . . ?
C53A C52A Co1 70.1(5) . . ?
C56A C52A Co1 70.3(5) . . ?
C53A C52A H52A 126.0 . . ?
C56A C52A H52A 126.0 . . ?
Co1 C52A H52A 125.2 . . ?
C54A C53A C52A 108.0 . . ?
C54A C53A Co1 70.2(5) . . ?
C52A C53A Co1 70.3(6) . . ?
C54A C53A H53A 126.0 . . ?
C52A C53A H53A 126.0 . . ?
Co1 C53A H53A 125.1 . . ?
C53A C54A C55A 108.0 . . ?
C53A C54A Co1 70.2(5) . . ?
C55A C54A Co1 70.3(6) . . ?
C53A C54A H54A 126.0 . . ?
C55A C54A H54A 126.0 . . ?
Co1 C54A H54A 125.1 . . ?
C56A C55A C54A 108.0 . . ?
C56A C55A Co1 70.3(6) . . ?
C54A C55A Co1 70.1(5) . . ?
C56A C55A H55A 126.0 . . ?
C54A C55A H55A 126.0 . . ?
Co1 C55A H55A 125.2 . . ?
C55A C56A C52A 108.0 . . ?
C55A C56A Co1 70.1(5) . . ?
C52A C56A Co1 70.2(5) . . ?
C55A C56A H56A 126.0 . . ?
C52A C56A H56A 126.0 . . ?
Co1 C56A H56A 125.3 . . ?
C53B C52B C56B 108.0 . . ?
C53B C52B Co1 71.9(10) . . ?
C56B C52B Co1 71.5(9) . . ?
C53B C52B H52B 126.0 . . ?
C56B C52B H52B 126.0 . . ?
Co1 C52B H52B 122.3 . . ?
C52B C53B C54B 108.0 . . ?
C52B C53B Co1 68.1(10) . . ?
C54B C53B Co1 73.3(9) . . ?
C52B C53B H53B 126.0 . . ?
C54B C53B H53B 126.0 . . ?
Co1 C53B H53B 124.2 . . ?
C53B C54B C55B 108.0 . . ?
C53B C54B Co1 67.9(9) . . ?
C55B C54B Co1 70.6(9) . . ?
C53B C54B H54B 126.0 . . ?
C55B C54B H54B 126.0 . . ?
Co1 C54B H54B 127.0 . . ?
C56B C55B C54B 108.0 . . ?
C56B C55B Co1 67.7(9) . . ?
C54B C55B Co1 71.1(9) . . ?
C56B C55B H55B 126.0 . . ?
C54B C55B H55B 126.0 . . ?
Co1 C55B H55B 126.8 . . ?
C55B C56B C52B 108.0 . . ?
C55B C56B Co1 73.4(9) . . ?
C52B C56B Co1 68.4(9) . . ?
C55B C56B H56B 126.0 . . ?
C52B C56B H56B 126.0 . . ?
Co1 C56B H56B 123.8 . . ?
O25A Yb2 O26A 83.2(3) . . ?
O24B Yb2 O25B 82.1(8) . . ?
O24B Yb2 O26B 83.9(8) . . ?
O25B Yb2 O26B 83.5(8) . . ?
O25A Yb2 O24A 79.5(3) . . ?
O26A Yb2 O24A 81.8(3) . . ?
O24B Yb2 N7 126.3(7) . . ?
O25A Yb2 N7 89.3(3) . . ?
O26A Yb2 N7 168.4(2) . . ?
O25B Yb2 N7 135.2(6) . . ?
O26B Yb2 N7 68.5(5) . . ?
O24A Yb2 N7 88.1(3) . . ?
O24B Yb2 N9 96.7(7) . . ?
O25A Yb2 N9 135.2(3) . . ?
O26A Yb2 N9 75.6(2) . . ?
O25B Yb2 N9 90.0(6) . . ?
O26B Yb2 N9 173.3(6) . . ?
O24A Yb2 N9 133.8(3) . . ?
N7 Yb2 N9 115.8(2) . . ?
O24B Yb2 N8 157.8(6) . . ?
O25A Yb2 N8 77.8(3) . . ?
O26A Yb2 N8 111.3(2) . . ?
O25B Yb2 N8 77.8(6) . . ?
O26B Yb2 N8 102.9(6) . . ?
O24A Yb2 N8 152.0(3) . . ?
N7 Yb2 N8 75.5(2) . . ?
N9 Yb2 N8 74.1(2) . . ?
O24B Yb2 N6 76.0(6) . . ?
O25A Yb2 N6 150.8(3) . . ?
O26A Yb2 N6 109.0(2) . . ?
O25B Yb2 N6 150.9(6) . . ?
O26B Yb2 N6 112.5(6) . . ?
O24A Yb2 N6 76.2(2) . . ?
N7 Yb2 N6 73.9(2) . . ?
N9 Yb2 N6 74.0(2) . . ?
N8 Yb2 N6 119.1(2) . . ?
O24B Yb2 P4B 18.8(6) . . ?
O25B Yb2 P4B 66.2(6) . . ?
O26B Yb2 P4B 72.9(5) . . ?
N7 Yb2 P4B 130.7(2) . . ?
N9 Yb2 P4B 105.8(2) . . ?
N8 Yb2 P4B 144.0(2) . . ?
N6 Yb2 P4B 94.4(2) . . ?
O24B Yb2 P5B 72.7(6) . . ?
O25B Yb2 P5B 18.9(6) . . ?
O26B Yb2 P5B 66.6(6) . . ?
N7 Yb2 P5B 128.1(2) . . ?
N9 Yb2 P5B 107.2(2) . . ?
N8 Yb2 P5B 90.4(2) . . ?
N6 Yb2 P5B 148.6(2) . . ?
P4B Yb2 P5B 54.6(3) . . ?
C5B Co2 C4B 39.7(6) . . ?
C5B Co2 C4A 53.3(8) . . ?
C4B Co2 C4A 16.8(8) . . ?
C5B Co2 C3A 68.3(8) . . ?
C4B Co2 C3A 52.9(7) . . ?
C4A Co2 C3A 40.6(5) . . ?
C5B Co2 C1B 39.5(5) . . ?
C4B Co2 C1B 66.2(9) . . ?
C4A Co2 C1B 70.4(8) . . ?
C3A Co2 C1B 54.8(6) . . ?
C5B Co2 C3B 66.1(9) . . ?
C4B Co2 C3B 39.3(6) . . ?
C4A Co2 C3B 24.2(6) . . ?
C3A Co2 C3B 18.3(5) . . ?
C1B Co2 C3B 65.8(8) . . ?
C5B Co2 C2B 66.0(8) . . ?
C4B Co2 C2B 65.9(9) . . ?
C4A Co2 C2B 57.9(6) . . ?
C3A Co2 C2B 21.4(5) . . ?
C1B Co2 C2B 39.1(5) . . ?
C3B Co2 C2B 39.0(5) . . ?
C5B Co2 C5A 18.9(7) . . ?
C4B Co2 C5A 24.1(8) . . ?
C4A Co2 C5A 40.3(6) . . ?
C3A Co2 C5A 67.7(9) . . ?
C1B Co2 C5A 55.9(7) . . ?
C3B Co2 C5A 59.4(7) . . ?
C2B Co2 C5A 72.8(7) . . ?
C5B Co2 C2A 54.4(6) . . ?
C4B Co2 C2A 69.5(7) . . ?
C4A Co2 C2A 67.6(8) . . ?
C3A Co2 C2A 40.2(5) . . ?
C1B Co2 C2A 19.3(5) . . ?
C3B Co2 C2A 55.2(5) . . ?
C2B Co2 C2A 21.0(5) . . ?
C5A Co2 C2A 67.1(8) . . ?
C5B Co2 P4B 134.9(9) . . ?
C4B Co2 P4B 158.3(8) . . ?
C4A Co2 P4B 145.3(8) . . ?
C3A Co2 P4B 105.8(8) . . ?
C1B Co2 P4B 99.0(8) . . ?
C3B Co2 P4B 121.0(9) . . ?
C2B Co2 P4B 92.5(7) . . ?
C5A Co2 P4B 153.7(9) . . ?
C2A Co2 P4B 91.3(6) . . ?
C5B Co2 C1A 21.1(6) . . ?
C4B Co2 C1A 57.2(7) . . ?
C4A Co2 C1A 67.4(8) . . ?
C3A Co2 C1A 67.2(8) . . ?
C1B Co2 C1A 21.3(5) . . ?
C3B Co2 C1A 72.2(6) . . ?
C2B Co2 C1A 56.9(5) . . ?
C5A Co2 C1A 39.8(5) . . ?
C2A Co2 C1A 39.7(5) . . ?
P4B Co2 C1A 114.0(8) . . ?
C4A Co2 P5A 99.1(7) . . ?
C3A Co2 P5A 137.5(8) . . ?
C5A Co2 P5A 89.2(6) . . ?
C2A Co2 P5A 155.3(7) . . ?
C1A Co2 P5A 116.6(8) . . ?
C65 O14 C66 106.8(6) . . ?
C76 O16 C75 105.4(6) . . ?
C60 N6 C57 109.0(6) . . ?
C60 N6 Yb2 124.3(5) . . ?
C57 N6 Yb2 124.7(5) . . ?
C65 N7 C67 107.1(6) . . ?
C65 N7 Yb2 123.8(5) . . ?
C67 N7 Yb2 123.6(5) . . ?
C72 N8 C69 107.1(6) . . ?
C72 N8 Yb2 122.3(5) . . ?
C69 N8 Yb2 125.6(5) . . ?
C76 N9 C74 107.1(6) . . ?
C76 N9 Yb2 124.4(5) . . ?
C74 N9 Yb2 120.7(5) . . ?
C62 N10 C61 104.2(7) . . ?
C62 N10 C63 113.0(8) . . ?
C61 N10 C63 113.4(9) . . ?
N6 C57 C77 126.8(7) . . ?
N6 C57 C58 111.5(6) . . ?
C77 C57 C58 121.7(7) . . ?
F45 C58 C61 110.2(7) . . ?
F45 C58 C57 112.0(6) . . ?
C61 C58 C57 115.8(7) . . ?
F45 C58 C59 112.6(7) . . ?
C61 C58 C59 103.9(7) . . ?
C57 C58 C59 101.8(6) . . ?
F46 C59 C60 111.1(7) . . ?
F46 C59 C62 109.0(7) . . ?
C60 C59 C62 118.8(7) . . ?
F46 C59 C58 109.8(6) . . ?
C60 C59 C58 103.4(6) . . ?
C62 C59 C58 104.1(7) . . ?
N6 C60 C64 125.9(7) . . ?
N6 C60 C59 113.5(7) . . ?
C64 C60 C59 120.5(7) . . ?
N10 C61 C58 102.9(7) . . ?
N10 C61 H61A 111.2 . . ?
C58 C61 H61A 111.2 . . ?
N10 C61 H61B 111.2 . . ?
C58 C61 H61B 111.2 . . ?
H61A C61 H61B 109.1 . . ?
N10 C62 C59 105.4(7) . . ?
N10 C62 H62A 110.7 . . ?
C59 C62 H62A 110.7 . . ?
N10 C62 H62B 110.7 . . ?
C59 C62 H62B 110.7 . . ?
H62A C62 H62B 108.8 . . ?
N10 C63 H63A 109.5 . . ?
N10 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
N10 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C60 C64 C65 122.9(7) . . ?
C60 C64 C78 121.5(7) . . ?
C65 C64 C78 115.0(7) . . ?
N7 C65 O14 113.5(7) . . ?
N7 C65 C64 130.2(7) . . ?
O14 C65 C64 116.2(7) . . ?
O15 C66 O14 119.8(8) . . ?
O15 C66 C67 135.2(9) . . ?
O14 C66 C67 105.0(6) . . ?
C68 C67 N7 127.7(7) . . ?
C68 C67 C66 124.6(7) . . ?
N7 C67 C66 107.5(7) . . ?
C67 C68 C69 124.7(7) . . ?
C67 C68 C84 117.7(7) . . ?
C69 C68 C84 117.4(7) . . ?
N8 C69 C70 108.7(7) . . ?
N8 C69 C68 124.9(7) . . ?
C70 C69 C68 126.2(7) . . ?
F47 C70 C71 124.4(8) . . ?
F47 C70 C69 128.1(8) . . ?
C71 C70 C69 107.4(8) . . ?
F48 C71 C70 124.1(8) . . ?
F48 C71 C72 127.1(7) . . ?
C70 C71 C72 108.4(8) . . ?
N8 C72 C71 108.3(7) . . ?
N8 C72 C73 125.6(7) . . ?
C71 C72 C73 125.5(7) . . ?
C74 C73 C72 124.4(7) . . ?
C74 C73 C90 118.2(7) . . ?
C72 C73 C90 117.4(7) . . ?
C73 C74 N9 126.2(7) . . ?
C73 C74 C75 125.4(7) . . ?
N9 C74 C75 108.0(6) . . ?
O17 C75 O16 117.4(8) . . ?
O17 C75 C74 137.2(9) . . ?
O16 C75 C74 105.4(6) . . ?
N9 C76 O16 114.1(6) . . ?
N9 C76 C77 131.4(7) . . ?
O16 C76 C77 114.4(6) . . ?
C57 C77 C76 122.4(7) . . ?
C57 C77 C96 120.7(7) . . ?
C76 C77 C96 116.4(7) . . ?
C79 C78 C83 115.9(8) . . ?
C79 C78 C64 122.9(9) . . ?
C83 C78 C64 120.8(8) . . ?
F25 C79 C78 119.8(9) . . ?
F25 C79 C80 116.1(10) . . ?
C78 C79 C80 124.1(11) . . ?
F26 C80 C81 119.6(10) . . ?
F26 C80 C79 121.8(12) . . ?
C81 C80 C79 118.6(10) . . ?
F27 C81 C82 120.0(13) . . ?
F27 C81 C80 119.8(11) . . ?
C82 C81 C80 120.2(9) . . ?
F28 C82 C81 120.4(9) . . ?
F28 C82 C83 119.6(10) . . ?
C81 C82 C83 119.9(10) . . ?
F29 C83 C78 119.5(7) . . ?
F29 C83 C82 119.2(9) . . ?
C78 C83 C82 121.3(9) . . ?
C89 C84 C85 116.6(8) . . ?
C89 C84 C68 123.0(9) . . ?
C85 C84 C68 120.4(8) . . ?
F30 C85 C86 120.1(9) . . ?
F30 C85 C84 119.0(8) . . ?
C86 C85 C84 120.9(9) . . ?
C87 C86 F31 120.6(9) . . ?
C87 C86 C85 122.2(10) . . ?
F31 C86 C85 117.2(9) . . ?
F32 C87 C86 119.7(10) . . ?
F32 C87 C88 121.8(9) . . ?
C86 C87 C88 118.5(9) . . ?
F33 C88 C87 120.1(10) . . ?
F33 C88 C89 119.7(11) . . ?
C87 C88 C89 120.2(9) . . ?
F34 C89 C84 120.5(9) . . ?
F34 C89 C88 117.9(9) . . ?
C84 C89 C88 121.5(10) . . ?
C95 C90 C91 118.0(8) . . ?
C95 C90 C73 122.3(8) . . ?
C91 C90 C73 119.7(8) . . ?
F35 C91 C90 120.9(8) . . ?
F35 C91 C92 118.5(8) . . ?
C90 C91 C92 120.6(8) . . ?
F36 C92 C93 120.6(9) . . ?
F36 C92 C91 119.1(9) . . ?
C93 C92 C91 120.4(9) . . ?
F37 C93 C94 121.4(10) . . ?
F37 C93 C92 119.4(10) . . ?
C94 C93 C92 119.2(9) . . ?
F38 C94 C93 119.3(9) . . ?
F38 C94 C95 119.5(9) . . ?
C93 C94 C95 121.1(9) . . ?
F39 C95 C90 120.8(7) . . ?
F39 C95 C94 118.5(8) . . ?
C90 C95 C94 120.7(9) . . ?
C97 C96 C101 115.3(9) . . ?
C97 C96 C77 124.1(9) . . ?
C101 C96 C77 120.7(8) . . ?
F40 C97 C96 119.7(9) . . ?
F40 C97 C98 118.9(10) . . ?
C96 C97 C98 121.5(11) . . ?
C99 C98 F41 122.6(10) . . ?
C99 C98 C97 119.5(10) . . ?
F41 C98 C97 117.9(12) . . ?
C100 C99 F42 122.2(13) . . ?
C100 C99 C98 121.0(9) . . ?
F42 C99 C98 116.6(12) . . ?
F43 C100 C99 119.5(10) . . ?
F43 C100 C101 122.7(10) . . ?
C99 C100 C101 117.7(10) . . ?
F44 C101 C96 118.4(7) . . ?
F44 C101 C100 116.6(9) . . ?
C96 C101 C100 125.0(10) . . ?
C5B C1A C1B 129(5) . . ?
C5B C1A C5A 8(3) . . ?
C1B C1A C5A 121(3) . . ?
C5B C1A C2A 116(3) . . ?
C1B C1A C2A 13(3) . . ?
C5A C1A C2A 108.0 . . ?
C5B C1A C4B 30.3(19) . . ?
C1B C1A C4B 99(3) . . ?
C5A C1A C4B 22.4(8) . . ?
C2A C1A C4B 85.6(8) . . ?
C5B C1A C2B 99(3) . . ?
C1B C1A C2B 30(2) . . ?
C5A C1A C2B 90.8(8) . . ?
C2A C1A C2B 17.2(7) . . ?
C4B C1A C2B 68.5(12) . . ?
C5B C1A Co2 74(3) . . ?
C1B C1A Co2 76(3) . . ?
C5A C1A Co2 69.2(8) . . ?
C2A C1A Co2 69.6(6) . . ?
C4B C1A Co2 59.8(10) . . ?
C2B C1A Co2 60.8(8) . . ?
C5B C1A H1A 115.4 . . ?
C1B C1A H1A 115.4 . . ?
C5A C1A H1A 123.4 . . ?
C2A C1A H1A 128.6 . . ?
C4B C1A H1A 145.7 . . ?
C2B C1A H1A 145.8 . . ?
Co2 C1A H1A 126.5 . . ?
C1B C2A C2B 144(6) . . ?
C1B C2A C3A 123(3) . . ?
C2B C2A C3A 21(3) . . ?
C1B C2A C1A 15(3) . . ?
C2B C2A C1A 129(3) . . ?
C3A C2A C1A 108.0 . . ?
C1B C2A C5B 36(2) . . ?
C2B C2A C5B 108(3) . . ?
C3A C2A C5B 86.7(10) . . ?
C1A C2A C5B 21.3(10) . . ?
C1B C2A C3B 108(4) . . ?
C2B C2A C3B 36(2) . . ?
C3A C2A C3B 14.7(9) . . ?
C1A C2A C3B 93.3(9) . . ?
C5B C2A C3B 72.0(13) . . ?
C1B C2A Co2 78(3) . . ?
C2B C2A Co2 78(3) . . ?
C3A C2A Co2 68.6(7) . . ?
C1A C2A Co2 70.7(7) . . ?
C5B C2A Co2 61.4(10) . . ?
C3B C2A Co2 61.8(9) . . ?
C1B C2A H2A 108.2 . . ?
C2B C2A H2A 108.2 . . ?
C3A C2A H2A 129.1 . . ?
C1A C2A H2A 122.6 . . ?
C5B C2A H2A 143.7 . . ?
C3B C2A H2A 143.7 . . ?
Co2 C2A H2A 131.3 . . ?
C3B C3A C2B 153(6) . . ?
C3B C3A C2A 132(3) . . ?
C2B C3A C2A 21(3) . . ?
C3B C3A C4A 24(3) . . ?
C2B C3A C4A 129(3) . . ?
C2A C3A C4A 108.0 . . ?
C3B C3A C4B 40(2) . . ?
C2B C3A C4B 113(3) . . ?
C2A C3A C4B 92.1(10) . . ?
C4A C3A C4B 15.9(10) . . ?
C3B C3A C1B 114(4) . . ?
C2B C3A C1B 39(2) . . ?
C2A C3A C1B 18.1(8) . . ?
C4A C3A C1B 89.9(8) . . ?
C4B C3A C1B 74.0(13) . . ?
C3B C3A Co2 82(3) . . ?
C2B C3A Co2 81(2) . . ?
C2A C3A Co2 71.2(7) . . ?
C4A C3A Co2 69.5(8) . . ?
C4B C3A Co2 63.2(12) . . ?
C1B C3A Co2 62.7(8) . . ?
C3B C3A H3A 103.7 . . ?
C2B C3A H3A 103.7 . . ?
C2A C3A H3A 124.4 . . ?
C4A C3A H3A 127.3 . . ?
C4B C3A H3A 143.0 . . ?
C1B C3A H3A 142.4 . . ?
Co2 C3A H3A 129.9 . . ?
C4B C4A C3B 141(5) . . ?
C4B C4A C5A 16(3) . . ?
C3B C4A C5A 126(2) . . ?
C4B C4A C3A 123(3) . . ?
C3B C4A C3A 18(2) . . ?
C5A C4A C3A 108.0 . . ?
C4B C4A C5B 35(2) . . ?
C3B C4A C5B 107(3) . . ?
C5A C4A C5B 19.3(8) . . ?
C3A C4A C5B 88.8(8) . . ?
C4B C4A C2B 106(4) . . ?
C3B C4A C2B 35.2(16) . . ?
C5A C4A C2B 90.6(7) . . ?
C3A C4A C2B 17.4(7) . . ?
C5B C4A C2B 71.4(12) . . ?
C4B C4A Co2 81(4) . . ?
C3B C4A Co2 79(2) . . ?
C5A C4A Co2 71.0(7) . . ?
C3A C4A Co2 69.9(7) . . ?
C5B C4A Co2 63.0(12) . . ?
C2B C4A Co2 61.7(7) . . ?
C4B C4A H4A 109.4 . . ?
C3B C4A H4A 109.4 . . ?
C5A C4A H4A 124.7 . . ?
C3A C4A H4A 127.2 . . ?
C5B C4A H4A 144.0 . . ?
C2B C4A H4A 144.4 . . ?
Co2 C4A H4A 121.8 . . ?
C5B C5A C4B 128(5) . . ?
C5B C5A C4A 117(3) . . ?
C4B C5A C4A 11(2) . . ?
C5B C5A C1A 9(3) . . ?
C4B C5A C1A 119(2) . . ?
C4A C5A C1A 108.0 . . ?
C5B C5A C1B 29(2) . . ?
C4B C5A C1B 99(3) . . ?
C4A C5A C1B 88.1(7) . . ?
C1A C5A C1B 19.9(7) . . ?
C5B C5A Co2 77(4) . . ?
C4B C5A Co2 75(3) . . ?
C4A C5A Co2 68.7(7) . . ?
C1A C5A Co2 71.0(7) . . ?
C1B C5A Co2 61.5(9) . . ?
C5B C5A H5A1 116.2 . . ?
C4B C5A H5A1 116.2 . . ?
C4A C5A H5A1 126.8 . . ?
C1A C5A H5A1 125.1 . . ?
C1B C5A H5A1 144.8 . . ?
Co2 C5A H5A1 122.6 . . ?
O24A P4A O18A 107.4(5) . . ?
O24A P4A O19A 108.1(6) . . ?
O18A P4A O19A 95.3(7) . . ?
O24A P4A Co2 120.0(3) . . ?
O18A P4A Co2 116.6(4) . . ?
O19A P4A Co2 106.2(4) . . ?
O24A P4A Yb2 28.9(3) . . ?
O18A P4A Yb2 133.1(4) . . ?
O19A P4A Yb2 111.7(5) . . ?
Co2 P4A Yb2 92.55(10) . . ?
O25A P5A O20A 107.7(5) . . ?
O25A P5A O21A 109.3(16) . . ?
O20A P5A O21A 100.3(8) . . ?
O25A P5A Co2 117.6(3) . . ?
O20A P5A Co2 112.8(5) . . ?
O21A P5A Co2 107.7(10) . . ?
O25A P5A Yb2 26.5(3) . . ?
O20A P5A Yb2 130.1(4) . . ?
O21A P5A Yb2 111.8(13) . . ?
Co2 P5A Yb2 92.89(10) . . ?
O26A P6A O22A 108.3(5) . . ?
O26A P6A O23A 109.3(5) . . ?
O22A P6A O23A 97.8(5) . . ?
O26A P6A Co2 118.4(3) . . ?
O22A P6A Co2 114.5(4) . . ?
O23A P6A Co2 106.4(4) . . ?
O26A P6A Yb2 27.3(3) . . ?
O22A P6A Yb2 130.7(4) . . ?
O23A P6A Yb2 114.2(4) . . ?
Co2 P6A Yb2 92.05(10) . . ?
CP1A O18A P4A 117.4(11) . . ?
CP2A O19A P4A 137.5(12) . . ?
CP3A O20A P5A 123.0(11) . . ?
CP4A O21A P5A 119(2) . . ?
CP5A O22A P6A 121.4(10) . . ?
CP6A O23A P6A 120.4(10) . . ?
P4A O24A Yb2 132.3(4) . . ?
P5A O25A Yb2 135.9(5) . . ?
P6A O26A Yb2 134.3(4) . . ?
O18A CP1A HP1A 109.5 . . ?
O18A CP1A HP1B 109.5 . . ?
HP1A CP1A HP1B 109.5 . . ?
O18A CP1A HP1C 109.5 . . ?
HP1A CP1A HP1C 109.5 . . ?
HP1B CP1A HP1C 109.5 . . ?
O19A CP2A HP2A 109.5 . . ?
O19A CP2A HP2B 109.5 . . ?
HP2A CP2A HP2B 109.5 . . ?
O19A CP2A HP2C 109.5 . . ?
HP2A CP2A HP2C 109.5 . . ?
HP2B CP2A HP2C 109.5 . . ?
O20A CP3A HP3A 109.5 . . ?
O20A CP3A HP3B 109.5 . . ?
HP3A CP3A HP3B 109.5 . . ?
O20A CP3A HP3C 109.5 . . ?
HP3A CP3A HP3C 109.5 . . ?
HP3B CP3A HP3C 109.5 . . ?
O21A CP4A HP4A 109.5 . . ?
O21A CP4A HP4B 109.5 . . ?
HP4A CP4A HP4B 109.5 . . ?
O21A CP4A HP4C 109.5 . . ?
HP4A CP4A HP4C 109.5 . . ?
HP4B CP4A HP4C 109.5 . . ?
O22A CP5A HP5A 109.5 . . ?
O22A CP5A HP5B 109.5 . . ?
HP5A CP5A HP5B 109.5 . . ?
O22A CP5A HP5C 109.5 . . ?
HP5A CP5A HP5C 109.5 . . ?
HP5B CP5A HP5C 109.5 . . ?
O23A CP6A HP6A 109.5 . . ?
O23A CP6A HP6B 109.5 . . ?
HP6A CP6A HP6B 109.5 . . ?
O23A CP6A HP6C 109.5 . . ?
HP6A CP6A HP6C 109.5 . . ?
HP6B CP6A HP6C 109.5 . . ?
O24B P4B O18B 106.4(15) . . ?
O24B P4B O19B 108.8(19) . . ?
O18B P4B O19B 107(2) . . ?
O24B P4B Co2 120.2(12) . . ?
O18B P4B Co2 109.9(12) . . ?
O19B P4B Co2 103.8(18) . . ?
O24B P4B Yb2 25.7(10) . . ?
O18B P4B Yb2 126.6(13) . . ?
O19B P4B Yb2 111.0(18) . . ?
Co2 P4B Yb2 95.9(4) . . ?
O25B P5B O21B 110(6) . . ?
O25B P5B O20B 106.9(16) . . ?
O21B P5B O20B 104(3) . . ?
O25B P5B Co2 117.0(12) . . ?
O21B P5B Co2 110(4) . . ?
O20B P5B Co2 108.3(14) . . ?
O25B P5B Yb2 28.5(11) . . ?
O21B P5B Yb2 111(5) . . ?
O20B P5B Yb2 130.6(11) . . ?
Co2 P5B Yb2 91.4(3) . . ?
O26B P6B O22B 109.2(16) . . ?
O26B P6B O23B 117.2(17) . . ?
O22B P6B O23B 89.6(18) . . ?
O26B P6B Co2 118.9(10) . . ?
O22B P6B Co2 113.1(13) . . ?
O23B P6B Co2 105.1(14) . . ?
O26B P6B Yb2 28.0(9) . . ?
O22B P6B Yb2 128.4(12) . . ?
O23B P6B Yb2 128.7(14) . . ?
Co2 P6B Yb2 91.1(3) . . ?
CP1B O18B P4B 124(5) . . ?
CP2B O19B P4B 134(5) . . ?
CP3B O20B P5B 133(4) . . ?
CP4B O21B P5B 117(8) . . ?
CP5B O22B P6B 130(4) . . ?
CP6B O23B P6B 120(4) . . ?
P4B O24B Yb2 135.5(15) . . ?
P5B O25B Yb2 132.5(16) . . ?
P6B O26B Yb2 133.5(13) . . ?
O18B CP1B HP1D 109.5 . . ?
O18B CP1B HP1E 109.5 . . ?
HP1D CP1B HP1E 109.5 . . ?
O18B CP1B HP1F 109.5 . . ?
HP1D CP1B HP1F 109.5 . . ?
HP1E CP1B HP1F 109.5 . . ?
O19B CP2B HP2D 109.5 . . ?
O19B CP2B HP2E 109.5 . . ?
HP2D CP2B HP2E 109.5 . . ?
O19B CP2B HP2F 109.5 . . ?
HP2D CP2B HP2F 109.5 . . ?
HP2E CP2B HP2F 109.5 . . ?
O20B CP3B HP3D 109.5 . . ?
O20B CP3B HP3E 109.5 . . ?
HP3D CP3B HP3E 109.5 . . ?
O20B CP3B HP3F 109.5 . . ?
HP3D CP3B HP3F 109.5 . . ?
HP3E CP3B HP3F 109.5 . . ?
O21B CP4B HP4D 109.5 . . ?
O21B CP4B HP4E 109.5 . . ?
HP4D CP4B HP4E 109.5 . . ?
O21B CP4B HP4F 109.5 . . ?
HP4D CP4B HP4F 109.5 . . ?
HP4E CP4B HP4F 109.5 . . ?
O22B CP5B HP5D 109.5 . . ?
O22B CP5B HP5E 109.5 . . ?
HP5D CP5B HP5E 109.5 . . ?
O22B CP5B HP5F 109.5 . . ?
HP5D CP5B HP5F 109.5 . . ?
HP5E CP5B HP5F 109.5 . . ?
O23B CP6B HP6D 109.5 . . ?
O23B CP6B HP6E 109.5 . . ?
HP6D CP6B HP6E 109.5 . . ?
O23B CP6B HP6F 109.5 . . ?
HP6D CP6B HP6F 109.5 . . ?
HP6E CP6B HP6F 109.5 . . ?
C2A C1B C1A 152(6) . . ?
C2A C1B C5B 127(3) . . ?
C1A C1B C5B 25(3) . . ?
C2A C1B C2B 19(3) . . ?
C1A C1B C2B 133(3) . . ?
C5B C1B C2B 108.0 . . ?
C2A C1B C3A 39(2) . . ?
C1A C1B C3A 113(3) . . ?
C5B C1B C3A 87.6(8) . . ?
C2B C1B C3A 20.4(8) . . ?
C2A C1B C5A 113(4) . . ?
C1A C1B C5A 39(2) . . ?
C5B C1B C5A 13.7(10) . . ?
C2B C1B C5A 94.4(10) . . ?
C3A C1B C5A 73.9(13) . . ?
C2A C1B Co2 83(3) . . ?
C1A C1B Co2 83(3) . . ?
C5B C1B Co2 69.4(9) . . ?
C2B C1B Co2 71.2(8) . . ?
C3A C1B Co2 62.6(8) . . ?
C5A C1B Co2 62.7(11) . . ?
C2A C1B H1B 103.9 . . ?
C1A C1B H1B 103.9 . . ?
C5B C1B H1B 129.2 . . ?
C2B C1B H1B 122.6 . . ?
C3A C1B H1B 143.0 . . ?
C5A C1B H1B 142.6 . . ?
Co2 C1B H1B 121.1 . . ?
C2A C2B C3A 138(5) . . ?
C2A C2B C3B 125(3) . . ?
C3A C2B C3B 13(3) . . ?
C2A C2B C1B 17(3) . . ?
C3A C2B C1B 121(3) . . ?
C3B C2B C1B 108.0 . . ?
C2A C2B C1A 34(2) . . ?
C3A C2B C1A 104(3) . . ?
C3B C2B C1A 91.7(9) . . ?
C1B C2B C1A 16.3(9) . . ?
C2A C2B C4A 104(3) . . ?
C3A C2B C4A 34(2) . . ?
C3B C2B C4A 21.1(9) . . ?
C1B C2B C4A 86.9(9) . . ?
C1A C2B C4A 70.6(12) . . ?
C2A C2B Co2 81(3) . . ?
C3A C2B Co2 78(2) . . ?
C3B C2B Co2 70.1(9) . . ?
C1B C2B Co2 69.7(8) . . ?
C1A C2B Co2 62.3(9) . . ?
C4A C2B Co2 60.4(9) . . ?
C2A C2B H2B 111.1 . . ?
C3A C2B H2B 111.1 . . ?
C3B C2B H2B 123.5 . . ?
C1B C2B H2B 128.2 . . ?
C1A C2B H2B 144.4 . . ?
C4A C2B H2B 144.5 . . ?
Co2 C2B H2B 121.4 . . ?
C3A C3B C4A 138(5) . . ?
C3A C3B C2B 15(3) . . ?
C4A C3B C2B 124(2) . . ?
C3A C3B C4B 123(3) . . ?
C4A C3B C4B 16(2) . . ?
C2B C3B C4B 108.0 . . ?
C3A C3B C2A 33(2) . . ?
C4A C3B C2A 105(3) . . ?
C2B C3B C2A 18.8(8) . . ?
C4B C3B C2A 89.2(8) . . ?
C3A C3B Co2 80(3) . . ?
C4A C3B Co2 77(2) . . ?
C2B C3B Co2 70.8(8) . . ?
C4B C3B Co2 69.4(9) . . ?
C2A C3B Co2 63.0(9) . . ?
C3A C3B H3B 110.8 . . ?
C4A C3B H3B 110.8 . . ?
C2B C3B H3B 125.5 . . ?
C4B C3B H3B 126.5 . . ?
C2A C3B H3B 144.3 . . ?
Co2 C3B H3B 124.7 . . ?
C4A C4B C5A 154(5) . . ?
C4A C4B C3B 23(3) . . ?
C5A C4B C3B 131(2) . . ?
C4A C4B C5B 131(3) . . ?
C5A C4B C5B 23(2) . . ?
C3B C4B C5B 108.0 . . ?
C4A C4B C3A 41(2) . . ?
C5A C4B C3A 113(3) . . ?
C3B C4B C3A 17.6(8) . . ?
C5B C4B C3A 90.4(8) . . ?
C4A C4B C1A 115(4) . . ?
C5A C4B C1A 39.0(16) . . ?
C3B C4B C1A 91.9(7) . . ?
C5B C4B C1A 16.1(7) . . ?
C3A C4B C1A 74.3(12) . . ?
C4A C4B Co2 82(4) . . ?
C5A C4B Co2 80(3) . . ?
C3B C4B Co2 71.3(8) . . ?
C5B C4B Co2 70.0(8) . . ?
C3A C4B Co2 63.9(11) . . ?
C1A C4B Co2 62.9(8) . . ?
C4A C4B H4B 103.2 . . ?
C5A C4B H4B 103.2 . . ?
C3B C4B H4B 125.8 . . ?
C5B C4B H4B 125.6 . . ?
C3A C4B H4B 143.1 . . ?
C1A C4B H4B 141.5 . . ?
Co2 C4B H4B 131.3 . . ?
C5A C5B C1A 163(5) . . ?
C5A C5B C1B 137(3) . . ?
C1A C5B C1B 26(2) . . ?
C5A C5B C4B 30(3) . . ?
C1A C5B C4B 134(2) . . ?
C1B C5B C4B 108.0 . . ?
C5A C5B C4A 44(2) . . ?
C1A C5B C4A 119(3) . . ?
C1B C5B C4A 93.7(8) . . ?
C4B C5B C4A 14.3(8) . . ?
C5A C5B C2A 120(4) . . ?
C1A C5B C2A 42.8(19) . . ?
C1B C5B C2A 17.2(7) . . ?
C4B C5B C2A 90.8(7) . . ?
C4A C5B C2A 76.5(13) . . ?
C5A C5B Co2 84(4) . . ?
C1A C5B Co2 84(3) . . ?
C1B C5B Co2 71.1(8) . . ?
C4B C5B Co2 70.4(8) . . ?
C4A C5B Co2 63.7(13) . . ?
C2A C5B Co2 64.2(8) . . ?
C5A C5B H5B1 98.5 . . ?
C1A C5B H5B1 98.5 . . ?
C1B C5B H5B1 123.8 . . ?
C4B C5B H5B1 127.4 . . ?
C4A C5B H5B1 141.5 . . ?
C2A C5B H5B1 140.5 . . ?
Co2 C5B H5B1 132.1 . . ?
 
_refine_diff_density_max    1.485
_refine_diff_density_min   -2.441
_refine_diff_density_rms    0.125




