#------------------------------------------------------------------------------
#$Date: 2024-11-09 14:07:10 +0200 (Sat, 09 Nov 2024) $
#$Revision: 295862 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/45/7714523.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7714523
loop_
_publ_author_name
'Jordan, Rose'
'Maisuls, Ivan'
'Nair, Shruti Santosh'
'Dietzek, Benjamin'
'Strassert, Cristian Alejandro'
'Klein, Axel'
_publ_section_title
;
 Enhanced luminescence properties through heavy ancillary ligands in
 [Pt(CNC)(L)] complexes, L = AsPh3 and SbPh3
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT03225F
_journal_year                    2023
_chemical_formula_sum            'C41 H31 N O0.5 Pt Sb'
_chemical_formula_weight         862.50
_chemical_name_systematic        '[Pt(dba)SbPh3]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-09-20 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                99.710(4)
_cell_angle_beta                 97.164(4)
_cell_angle_gamma                90.961(5)
_cell_formula_units_Z            4
_cell_length_a                   12.5593(16)
_cell_length_b                   13.4535(17)
_cell_length_c                   19.012(2)
_cell_measurement_reflns_used    9722
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      2.32
_cell_volume                     3139.3(7)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0425
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            146817
_diffrn_reflns_point_group_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.288
_diffrn_reflns_theta_min         2.035
_exptl_absorpt_coefficient_mu    5.345
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5943
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_description       prism
_exptl_crystal_F_000             1668
_exptl_crystal_preparation       Luminescent
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: CHCl3, Et2O'
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.200
_refine_diff_density_max         4.482
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     804
_refine_ls_number_reflns         15332
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0215
_refine_ls_R_factor_gt           0.0209
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0180P)²+6.7082P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0510
_refine_ls_wR_factor_ref         0.0513
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14959
_reflns_number_total             15332
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3dt03225f2.cif
_cod_data_source_block           mo_Jordan_RJ_M_15_0m
_cod_depositor_comments
;

2024-11-09
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C82 H62 N2 O Pt2 Sb2'
_cod_original_formula_weight         1725.01
_cod_original_formula_units_Z            2
_cod_database_code               7714523
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.297
_shelx_estimated_absorpt_t_max   0.415
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Pt1 Pt 0.05520(2) 0.69223(2) 0.64664(2) 0.01036(3) Uani 1 1 d . . . . .
Pt2 Pt 0.59209(2) 0.16482(2) 0.72635(2) 0.01059(3) Uani 1 1 d . . . . .
Sb1 Sb 0.19634(2) 0.81520(2) 0.71547(2) 0.01137(3) Uani 1 1 d . . . . .
O1 O 1.0451(2) 0.1883(2) 0.88384(16) 0.0456(7) Uani 1 1 d . . . . .
N1 N -0.06587(16) 0.60594(15) 0.58799(11) 0.0116(4) Uani 1 1 d . . . . .
Sb2 Sb 0.54904(2) 0.27689(2) 0.83677(2) 0.01200(4) Uani 1 1 d . . . . .
N2 N 0.63344(17) 0.07818(15) 0.63890(11) 0.0134(4) Uani 1 1 d . . . . .
C2A C 0.0063(2) 0.64691(19) 0.80297(14) 0.0175(5) Uani 1 1 d . . . . .
H2A H 0.066243 0.687968 0.827569 0.021 Uiso 1 1 calc R U . . .
C2B C 0.7117(2) 0.04053(19) 0.84398(14) 0.0170(5) Uani 1 1 d . . . . .
H2B H 0.687126 0.083852 0.883004 0.020 Uiso 1 1 calc R U . . .
C1A C -0.01479(19) 0.63728(18) 0.72855(13) 0.0132(4) Uani 1 1 d . . . . .
C1B C 0.68074(19) 0.05710(18) 0.77405(14) 0.0143(4) Uani 1 1 d . . . . .
C3A C -0.0585(2) 0.5978(2) 0.84320(15) 0.0219(5) Uani 1 1 d . . . . .
H3A H -0.039870 0.606148 0.893897 0.026 Uiso 1 1 calc R U . . .
C3B C 0.7789(2) -0.0393(2) 0.85849(15) 0.0190(5) Uani 1 1 d . . . . .
H3B H 0.798785 -0.046991 0.907080 0.023 Uiso 1 1 calc R U . . .
C4A C -0.1481(2) 0.5378(2) 0.81149(15) 0.0212(5) Uani 1 1 d . . . . .
H4A H -0.190603 0.506337 0.840052 0.025 Uiso 1 1 calc R U . . .
C4B C 0.8165(2) -0.1062(2) 0.80441(15) 0.0192(5) Uani 1 1 d . . . . .
H4B H 0.861029 -0.159278 0.815631 0.023 Uiso 1 1 calc R U . . .
C5A C -0.1752(2) 0.52426(19) 0.73615(14) 0.0159(5) Uani 1 1 d . . . . .
C5B C 0.7874(2) -0.09422(19) 0.73213(15) 0.0176(5) Uani 1 1 d . . . . .
C15A C -0.0899(2) 0.58977(18) 0.36962(13) 0.0142(4) Uani 1 1 d . . . . .
H15A H -0.093661 0.585969 0.319019 0.017 Uiso 1 1 calc R U . . .
C15B C 0.5260(2) 0.1565(2) 0.44427(14) 0.0177(5) Uani 1 1 d . . . . .
H15B H 0.499239 0.175017 0.399489 0.021 Uiso 1 1 calc R U . . .
C6A C -0.10779(19) 0.57347(18) 0.69735(13) 0.0139(4) Uani 1 1 d . . . . .
C6B C 0.72146(19) -0.01406(18) 0.71976(14) 0.0148(4) Uani 1 1 d . . . . .
C16A C -0.00427(19) 0.65089(18) 0.41588(13) 0.0136(4) Uani 1 1 d . . . . .
C16B C 0.4998(2) 0.21716(19) 0.50992(13) 0.0152(5) Uani 1 1 d . . . . .
C17A C 0.00123(19) 0.65618(17) 0.49064(13) 0.0120(4) Uani 1 1 d . . . . .
C17B C 0.53821(19) 0.18858(18) 0.57630(13) 0.0129(4) Uani 1 1 d . . . . .
C7A C -0.2662(2) 0.46302(19) 0.69637(14) 0.0173(5) Uani 1 1 d . . . . .
H7A H -0.311980 0.430268 0.722289 0.021 Uiso 1 1 calc R U . . .
C7B C 0.8225(2) -0.1587(2) 0.67147(16) 0.0209(5) Uani 1 1 d . . . . .
H7B H 0.866441 -0.213272 0.680045 0.025 Uiso 1 1 calc R U . . .
C8A C -0.2889(2) 0.45046(19) 0.62366(14) 0.0167(5) Uani 1 1 d . . . . .
H8A H -0.349620 0.409552 0.600086 0.020 Uiso 1 1 calc R U . . .
C8B C 0.7951(2) -0.1445(2) 0.60221(16) 0.0212(5) Uani 1 1 d . . . . .
H8B H 0.819952 -0.189033 0.563927 0.025 Uiso 1 1 calc R U . . .
C9A C -0.22211(19) 0.49837(18) 0.58179(13) 0.0137(4) Uani 1 1 d . . . . .
C9B C 0.7289(2) -0.06257(19) 0.58660(15) 0.0173(5) Uani 1 1 d . . . . .
C19A C 0.1568(2) 0.76516(19) 0.51445(14) 0.0163(5) Uani 1 1 d . . . . .
H19A H 0.212299 0.804493 0.545994 0.020 Uiso 1 1 calc R U . . .
C19B C 0.4566(2) 0.32402(19) 0.64374(13) 0.0149(4) Uani 1 1 d . . . . .
H19B H 0.440396 0.362105 0.687648 0.018 Uiso 1 1 calc R U . . .
C10A C -0.13389(19) 0.55828(17) 0.62119(13) 0.0122(4) Uani 1 1 d . . . . .
C10B C 0.69483(19) -0.00062(18) 0.64698(14) 0.0146(4) Uani 1 1 d . . . . .
C18A C 0.08108(19) 0.71275(18) 0.54338(13) 0.0130(4) Uani 1 1 d . . . . .
C18B C 0.51891(19) 0.23947(18) 0.64571(13) 0.0127(4) Uani 1 1 d . . . . .
C11A C -0.23478(19) 0.48968(18) 0.50664(13) 0.0138(4) Uani 1 1 d . . . . .
H11A H -0.292724 0.449238 0.478566 0.017 Uiso 1 1 calc R U . . .
C11B C 0.6945(2) -0.0395(2) 0.51836(14) 0.0179(5) Uani 1 1 d . . . . .
H11B H 0.715343 -0.080020 0.476756 0.021 Uiso 1 1 calc R U . . .
C12A C -0.16280(19) 0.54008(18) 0.47227(13) 0.0126(4) Uani 1 1 d . . . . .
C12B C 0.6296(2) 0.04299(19) 0.51102(13) 0.0152(5) Uani 1 1 d . . . . .
C13A C -0.07816(18) 0.59933(17) 0.51645(13) 0.0117(4) Uani 1 1 d . . . . .
C13B C 0.60120(19) 0.10130(18) 0.57438(13) 0.0130(4) Uani 1 1 d . . . . .
C14A C -0.1653(2) 0.53760(18) 0.39586(14) 0.0149(4) Uani 1 1 d . . . . .
H14A H -0.220382 0.498965 0.363425 0.018 Uiso 1 1 calc R U . . .
C14B C 0.5874(2) 0.0743(2) 0.44425(14) 0.0179(5) Uani 1 1 d . . . . .
H14B H 0.602686 0.036998 0.399853 0.022 Uiso 1 1 calc R U . . .
C34A C 0.35821(19) 0.77242(18) 0.71288(13) 0.0130(4) Uani 1 1 d . . . . .
C34B C 0.3274(2) 0.3679(2) 0.82558(14) 0.0193(5) Uani 1 1 d . . . . .
H34B H 0.305124 0.302002 0.830742 0.023 Uiso 1 1 calc R U . . .
C20A C 0.1531(2) 0.7614(2) 0.43919(14) 0.0174(5) Uani 1 1 d . . . . .
H20A H 0.206151 0.798687 0.421924 0.021 Uiso 1 1 calc R U . . .
C20B C 0.4169(2) 0.3545(2) 0.57812(14) 0.0180(5) Uani 1 1 d . . . . .
H20B H 0.374897 0.412720 0.579535 0.022 Uiso 1 1 calc R U . . .
C35A C 0.4441(2) 0.82366(19) 0.75965(14) 0.0163(5) Uani 1 1 d . . . . .
H35A H 0.431965 0.882533 0.792534 0.020 Uiso 1 1 calc R U . . .
C35B C 0.6799(2) 0.36086(19) 0.90322(13) 0.0156(5) Uani 1 1 d . . . . .
C21A C 0.0752(2) 0.70542(19) 0.39017(14) 0.0169(5) Uani 1 1 d . . . . .
H21A H 0.075133 0.703625 0.339998 0.020 Uiso 1 1 calc R U . . .
C21B C 0.4367(2) 0.3034(2) 0.51224(14) 0.0179(5) Uani 1 1 d . . . . .
H21B H 0.408379 0.325716 0.469107 0.021 Uiso 1 1 calc R U . . .
C36A C 0.5478(2) 0.7882(2) 0.75794(15) 0.0201(5) Uani 1 1 d . . . . .
H36A H 0.606232 0.823550 0.789185 0.024 Uiso 1 1 calc R U . . .
C36B C 0.6642(2) 0.4496(2) 0.95038(14) 0.0202(5) Uani 1 1 d . . . . .
H36B H 0.594493 0.475866 0.950796 0.024 Uiso 1 1 calc R U . . .
C22A C 0.1921(2) 0.85458(18) 0.82811(13) 0.0145(4) Uani 1 1 d . . . . .
C23A C 0.2552(2) 0.8075(2) 0.87770(14) 0.0181(5) Uani 1 1 d . . . . .
H23A H 0.312876 0.767763 0.862839 0.022 Uiso 1 1 calc R U . . .
C23B C 0.4833(2) 0.2077(2) 0.91517(14) 0.0172(5) Uani 1 1 d . . . . .
C24A C 0.2344(2) 0.8184(2) 0.94872(15) 0.0217(5) Uani 1 1 d . . . . .
H24A H 0.277603 0.786113 0.982157 0.026 Uiso 1 1 calc R U . . .
C24B C 0.4762(3) 0.2622(2) 0.98361(16) 0.0264(6) Uani 1 1 d . . . . .
H24B H 0.499227 0.331309 0.994968 0.032 Uiso 1 1 calc R U . . .
C26A C 0.0893(2) 0.9264(2) 0.92219(16) 0.0264(6) Uani 1 1 d . . . . .
H26A H 0.033672 0.968311 0.937753 0.032 Uiso 1 1 calc R U . . .
C26B C 0.4000(3) 0.1152(3) 1.0179(2) 0.0431(9) Uani 1 1 d . . . . .
H26B H 0.371673 0.083485 1.052959 0.052 Uiso 1 1 calc R U . . .
C27A C 0.1094(2) 0.9154(2) 0.85121(15) 0.0209(5) Uani 1 1 d . . . . .
H27A H 0.067084 0.949090 0.818251 0.025 Uiso 1 1 calc R U . . .
C27B C 0.4056(3) 0.0612(3) 0.9498(2) 0.0388(8) Uani 1 1 d . . . . .
H27B H 0.380203 -0.007298 0.938112 0.047 Uiso 1 1 calc R U . . .
C28A C 0.1908(2) 0.95960(18) 0.68383(14) 0.0158(5) Uani 1 1 d . . . . .
C28B C 0.4482(3) 0.1067(2) 0.89858(17) 0.0262(6) Uani 1 1 d . . . . .
H28B H 0.453347 0.069004 0.852245 0.031 Uiso 1 1 calc R U . . .
C25A C 0.1502(2) 0.8765(2) 0.97070(15) 0.0249(6) Uani 1 1 d . . . . .
H25A H 0.134252 0.882112 1.018734 0.030 Uiso 1 1 calc R U . . .
C25B C 0.4357(3) 0.2158(3) 1.03527(18) 0.0372(8) Uani 1 1 d . . . . .
H25B H 0.432392 0.252703 1.082139 0.045 Uiso 1 1 calc R U . . .
C33A C 0.1025(2) 0.9810(2) 0.63734(15) 0.0206(5) Uani 1 1 d . . . . .
H33A H 0.046291 0.931428 0.620348 0.025 Uiso 1 1 calc R U . . .
C33B C 0.2512(2) 0.4398(2) 0.81477(15) 0.0247(6) Uani 1 1 d . . . . .
H33B H 0.176953 0.422961 0.812682 0.030 Uiso 1 1 calc R U . . .
C32A C 0.0968(2) 1.0755(2) 0.61565(17) 0.0256(6) Uani 1 1 d . . . . .
H32A H 0.036678 1.090137 0.583967 0.031 Uiso 1 1 calc R U . . .
C32B C 0.2841(3) 0.5362(2) 0.80704(16) 0.0262(6) Uani 1 1 d . . . . .
H32B H 0.232312 0.585196 0.799335 0.031 Uiso 1 1 calc R U . . .
C31A C 0.1791(3) 1.1477(2) 0.64060(16) 0.0250(6) Uani 1 1 d . . . . .
H31A H 0.174982 1.211986 0.626225 0.030 Uiso 1 1 calc R U . . .
C31B C 0.3923(3) 0.5608(2) 0.81058(16) 0.0248(6) Uani 1 1 d . . . . .
H31B H 0.414518 0.626964 0.805968 0.030 Uiso 1 1 calc R U . . .
C30A C 0.2675(2) 1.1264(2) 0.68650(16) 0.0225(5) Uani 1 1 d . . . . .
H30A H 0.324125 1.175723 0.702952 0.027 Uiso 1 1 calc R U . . .
C30B C 0.4688(2) 0.4890(2) 0.82087(14) 0.0193(5) Uani 1 1 d . . . . .
H30B H 0.542853 0.505966 0.822445 0.023 Uiso 1 1 calc R U . . .
C29A C 0.2731(2) 1.03261(19) 0.70842(14) 0.0180(5) Uani 1 1 d . . . . .
H29A H 0.333217 1.018432 0.740246 0.022 Uiso 1 1 calc R U . . .
C29B C 0.4366(2) 0.39262(19) 0.82884(13) 0.0152(5) Uani 1 1 d . . . . .
C37A C 0.5657(2) 0.7014(2) 0.71079(16) 0.0220(5) Uani 1 1 d . . . . .
H37A H 0.636208 0.677200 0.710110 0.026 Uiso 1 1 calc R U . . .
C37B C 0.7501(3) 0.4990(2) 0.99644(16) 0.0266(6) Uani 1 1 d . . . . .
H37B H 0.739090 0.559298 1.028297 0.032 Uiso 1 1 calc R U . . .
C38A C 0.4806(2) 0.6499(2) 0.66453(15) 0.0206(5) Uani 1 1 d . . . . .
H38A H 0.492968 0.590100 0.632636 0.025 Uiso 1 1 calc R U . . .
C38B C 0.8522(2) 0.4610(2) 0.99632(16) 0.0277(6) Uani 1 1 d . . . . .
H38B H 0.910890 0.495130 1.028081 0.033 Uiso 1 1 calc R U . . .
C39A C 0.3773(2) 0.68589(19) 0.66485(14) 0.0162(5) Uani 1 1 d . . . . .
H39A H 0.319663 0.651460 0.632295 0.019 Uiso 1 1 calc R U . . .
C39B C 0.8684(2) 0.3733(2) 0.94984(17) 0.0267(6) Uani 1 1 d . . . . .
H39B H 0.938198 0.347191 0.950016 0.032 Uiso 1 1 calc R U . . .
C40B C 0.7830(2) 0.3230(2) 0.90280(15) 0.0199(5) Uani 1 1 d . . . . .
H40B H 0.794615 0.263294 0.870578 0.024 Uiso 1 1 calc R U . . .
C43 C 1.1401(3) 0.2157(3) 0.9191(3) 0.0590(13) Uani 1 1 d . . . . .
H43A H 1.162324 0.283258 0.910776 0.071 Uiso 1 1 calc R U . . .
H43B H 1.193924 0.166981 0.902954 0.071 Uiso 1 1 calc R U . . .
C44 C 1.1311(4) 0.2184(4) 1.0037(3) 0.0524(10) Uani 1 1 d . . . . .
H44A H 1.067073 0.254317 1.016406 0.079 Uiso 1 1 calc R U . . .
H44B H 1.195131 0.253251 1.032745 0.079 Uiso 1 1 calc R U . . .
H44C H 1.125650 0.149221 1.013192 0.079 Uiso 1 1 calc R U . . .
C41 C 0.9457(3) 0.1417(3) 0.7713(2) 0.0459(10) Uani 1 1 d . . . A 1
H41A H 0.890646 0.192136 0.777575 0.069 Uiso 1 1 calc R U . A 1
H41B H 0.925778 0.082505 0.791298 0.069 Uiso 1 1 calc R U . A 1
H41C H 0.951210 0.121577 0.719954 0.069 Uiso 1 1 calc R U . A 1
C42 C 1.0516(3) 0.1860(3) 0.8097(2) 0.0424(9) Uani 1 1 d . . . A 1
H42A H 1.110955 0.143653 0.794139 0.051 Uiso 1 1 calc R U . A 1
H42B H 1.064031 0.254929 0.799934 0.051 Uiso 1 1 calc R U . A 1
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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pt Pt -1.7033 8.3905 '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'
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
N1 Pt1 C18A 79.96(9) . . ?
N1 Pt1 C1A 79.58(9) . . ?
C18A Pt1 C1A 159.52(10) . . ?
N1 Pt1 Sb1 173.96(6) . . ?
C18A Pt1 Sb1 97.58(7) . . ?
C1A Pt1 Sb1 102.87(7) . . ?
N2 Pt2 C18B 79.49(9) . . ?
N2 Pt2 C1B 79.84(9) . . ?
C18B Pt2 C1B 159.33(10) . . ?
N2 Pt2 Sb2 177.31(6) . . ?
C18B Pt2 Sb2 101.06(7) . . ?
C1B Pt2 Sb2 99.59(7) . . ?
C22A Sb1 C34A 101.09(10) . . ?
C22A Sb1 C28A 101.30(10) . . ?
C34A Sb1 C28A 105.20(9) . . ?
C22A Sb1 Pt1 116.89(7) . . ?
C34A Sb1 Pt1 116.60(7) . . ?
C28A Sb1 Pt1 113.75(7) . . ?
C43 O1 C42 107.7(3) . . ?
C13A N1 C10A 121.8(2) . . ?
C13A N1 Pt1 118.82(16) . . ?
C10A N1 Pt1 119.38(16) . . ?
C35B Sb2 C23B 99.48(10) . . ?
C35B Sb2 C29B 100.42(10) . . ?
C23B Sb2 C29B 98.58(10) . . ?
C35B Sb2 Pt2 116.58(7) . . ?
C23B Sb2 Pt2 117.57(7) . . ?
C29B Sb2 Pt2 120.43(7) . . ?
C13B N2 C10B 121.9(2) . . ?
C13B N2 Pt2 119.24(17) . . ?
C10B N2 Pt2 118.83(17) . . ?
C1A C2A C3A 122.2(2) . . ?
C1A C2A H2A 118.9 . . ?
C3A C2A H2A 118.9 . . ?
C1B C2B C3B 121.8(2) . . ?
C1B C2B H2B 119.1 . . ?
C3B C2B H2B 119.1 . . ?
C2A C1A C6A 113.8(2) . . ?
C2A C1A Pt1 136.48(19) . . ?
C6A C1A Pt1 109.69(17) . . ?
C2B C1B C6B 113.9(2) . . ?
C2B C1B Pt2 136.02(19) . . ?
C6B C1B Pt2 110.01(17) . . ?
C4A C3A C2A 122.4(3) . . ?
C4A C3A H3A 118.8 . . ?
C2A C3A H3A 118.8 . . ?
C4B C3B C2B 122.4(2) . . ?
C4B C3B H3B 118.8 . . ?
C2B C3B H3B 118.8 . . ?
C3A C4A C5A 119.0(2) . . ?
C3A C4A H4A 120.5 . . ?
C5A C4A H4A 120.5 . . ?
C3B C4B C5B 118.7(2) . . ?
C3B C4B H4B 120.6 . . ?
C5B C4B H4B 120.6 . . ?
C4A C5A C6A 117.1(2) . . ?
C4A C5A C7A 124.5(2) . . ?
C6A C5A C7A 118.4(2) . . ?
C6B C5B C4B 117.4(2) . . ?
C6B C5B C7B 118.9(2) . . ?
C4B C5B C7B 123.7(2) . . ?
C14A C15A C16A 122.5(2) . . ?
C14A C15A H15A 118.7 . . ?
C16A C15A H15A 118.7 . . ?
C14B C15B C16B 122.6(2) . . ?
C14B C15B H15B 118.7 . . ?
C16B C15B H15B 118.7 . . ?
C5A C6A C10A 117.2(2) . . ?
C5A C6A C1A 125.4(2) . . ?
C10A C6A C1A 117.4(2) . . ?
C5B C6B C10B 117.1(2) . . ?
C5B C6B C1B 125.8(2) . . ?
C10B C6B C1B 117.1(2) . . ?
C17A C16A C21A 117.6(2) . . ?
C17A C16A C15A 118.6(2) . . ?
C21A C16A C15A 123.8(2) . . ?
C17B C16B C21B 117.1(2) . . ?
C17B C16B C15B 118.6(2) . . ?
C21B C16B C15B 124.3(2) . . ?
C16A C17A C13A 117.5(2) . . ?
C16A C17A C18A 125.4(2) . . ?
C13A C17A C18A 117.1(2) . . ?
C16B C17B C13B 117.4(2) . . ?
C16B C17B C18B 125.6(2) . . ?
C13B C17B C18B 116.9(2) . . ?
C8A C7A C5A 122.8(2) . . ?
C8A C7A H7A 118.6 . . ?
C5A C7A H7A 118.6 . . ?
C8B C7B C5B 122.7(2) . . ?
C8B C7B H7B 118.7 . . ?
C5B C7B H7B 118.7 . . ?
C7A C8A C9A 120.8(2) . . ?
C7A C8A H8A 119.6 . . ?
C9A C8A H8A 119.6 . . ?
C7B C8B C9B 120.6(2) . . ?
C7B C8B H8B 119.7 . . ?
C9B C8B H8B 119.7 . . ?
C11A C9A C10A 117.5(2) . . ?
C11A C9A C8A 126.6(2) . . ?
C10A C9A C8A 115.9(2) . . ?
C11B C9B C10B 117.7(2) . . ?
C11B C9B C8B 126.6(2) . . ?
C10B C9B C8B 115.7(2) . . ?
C18A C19A C20A 121.8(2) . . ?
C18A C19A H19A 119.1 . . ?
C20A C19A H19A 119.1 . . ?
C18B C19B C20B 121.7(2) . . ?
C18B C19B H19B 119.1 . . ?
C20B C19B H19B 119.1 . . ?
N1 C10A C9A 121.2(2) . . ?
N1 C10A C6A 113.9(2) . . ?
C9A C10A C6A 124.9(2) . . ?
N2 C10B C9B 120.9(2) . . ?
N2 C10B C6B 114.2(2) . . ?
C9B C10B C6B 124.9(2) . . ?
C19A C18A C17A 114.1(2) . . ?
C19A C18A Pt1 135.79(19) . . ?
C17A C18A Pt1 110.11(16) . . ?
C19B C18B C17B 114.0(2) . . ?
C19B C18B Pt2 135.76(19) . . ?
C17B C18B Pt2 110.25(17) . . ?
C9A C11A C12A 120.9(2) . . ?
C9A C11A H11A 119.6 . . ?
C12A C11A H11A 119.6 . . ?
C9B C11B C12B 120.6(2) . . ?
C9B C11B H11B 119.7 . . ?
C12B C11B H11B 119.7 . . ?
C11A C12A C13A 117.3(2) . . ?
C11A C12A C14A 127.0(2) . . ?
C13A C12A C14A 115.7(2) . . ?
C11B C12B C13B 117.7(2) . . ?
C11B C12B C14B 126.3(2) . . ?
C13B C12B C14B 116.0(2) . . ?
N1 C13A C12A 121.3(2) . . ?
N1 C13A C17A 114.0(2) . . ?
C12A C13A C17A 124.7(2) . . ?
N2 C13B C12B 121.3(2) . . ?
N2 C13B C17B 114.1(2) . . ?
C12B C13B C17B 124.6(2) . . ?
C15A C14A C12A 121.0(2) . . ?
C15A C14A H14A 119.5 . . ?
C12A C14A H14A 119.5 . . ?
C15B C14B C12B 120.8(2) . . ?
C15B C14B H14B 119.6 . . ?
C12B C14B H14B 119.6 . . ?
C39A C34A C35A 119.4(2) . . ?
C39A C34A Sb1 117.68(18) . . ?
C35A C34A Sb1 122.83(18) . . ?
C33B C34B C29B 120.1(3) . . ?
C33B C34B H34B 119.9 . . ?
C29B C34B H34B 119.9 . . ?
C21A C20A C19A 122.3(2) . . ?
C21A C20A H20A 118.8 . . ?
C19A C20A H20A 118.8 . . ?
C21B C20B C19B 122.7(2) . . ?
C21B C20B H20B 118.6 . . ?
C19B C20B H20B 118.6 . . ?
C36A C35A C34A 119.9(2) . . ?
C36A C35A H35A 120.0 . . ?
C34A C35A H35A 120.0 . . ?
C40B C35B C36B 119.5(2) . . ?
C40B C35B Sb2 118.95(19) . . ?
C36B C35B Sb2 121.42(19) . . ?
C20A C21A C16A 118.8(2) . . ?
C20A C21A H21A 120.6 . . ?
C16A C21A H21A 120.6 . . ?
C20B C21B C16B 118.8(2) . . ?
C20B C21B H21B 120.6 . . ?
C16B C21B H21B 120.6 . . ?
C37A C36A C35A 120.2(2) . . ?
C37A C36A H36A 119.9 . . ?
C35A C36A H36A 119.9 . . ?
C37B C36B C35B 120.1(3) . . ?
C37B C36B H36B 120.0 . . ?
C35B C36B H36B 120.0 . . ?
C23A C22A C27A 119.2(2) . . ?
C23A C22A Sb1 121.97(19) . . ?
C27A C22A Sb1 117.74(19) . . ?
C24A C23A C22A 120.5(3) . . ?
C24A C23A H23A 119.8 . . ?
C22A C23A H23A 119.8 . . ?
C28B C23B C24B 119.5(3) . . ?
C28B C23B Sb2 119.9(2) . . ?
C24B C23B Sb2 120.6(2) . . ?
C25A C24A C23A 120.0(3) . . ?
C25A C24A H24A 120.0 . . ?
C23A C24A H24A 120.0 . . ?
C25B C24B C23B 120.4(3) . . ?
C25B C24B H24B 119.8 . . ?
C23B C24B H24B 119.8 . . ?
C27A C26A C25A 120.4(3) . . ?
C27A C26A H26A 119.8 . . ?
C25A C26A H26A 119.8 . . ?
C27B C26B C25B 120.3(3) . . ?
C27B C26B H26B 119.9 . . ?
C25B C26B H26B 119.9 . . ?
C26A C27A C22A 120.1(3) . . ?
C26A C27A H27A 120.0 . . ?
C22A C27A H27A 120.0 . . ?
C26B C27B C28B 120.2(3) . . ?
C26B C27B H27B 119.9 . . ?
C28B C27B H27B 119.9 . . ?
C29A C28A C33A 119.6(2) . . ?
C29A C28A Sb1 121.53(19) . . ?
C33A C28A Sb1 118.84(19) . . ?
C27B C28B C23B 120.0(3) . . ?
C27B C28B H28B 120.0 . . ?
C23B C28B H28B 120.0 . . ?
C24A C25A C26A 119.8(3) . . ?
C24A C25A H25A 120.1 . . ?
C26A C25A H25A 120.1 . . ?
C24B C25B C26B 119.6(3) . . ?
C24B C25B H25B 120.2 . . ?
C26B C25B H25B 120.2 . . ?
C28A C33A C32A 120.1(3) . . ?
C28A C33A H33A 120.0 . . ?
C32A C33A H33A 120.0 . . ?
C32B C33B C34B 119.8(3) . . ?
C32B C33B H33B 120.1 . . ?
C34B C33B H33B 120.1 . . ?
C31A C32A C33A 119.8(3) . . ?
C31A C32A H32A 120.1 . . ?
C33A C32A H32A 120.1 . . ?
C31B C32B C33B 120.0(3) . . ?
C31B C32B H32B 120.0 . . ?
C33B C32B H32B 120.0 . . ?
C32A C31A C30A 120.3(3) . . ?
C32A C31A H31A 119.9 . . ?
C30A C31A H31A 119.9 . . ?
C32B C31B C30B 120.4(3) . . ?
C32B C31B H31B 119.8 . . ?
C30B C31B H31B 119.8 . . ?
C31A C30A C29A 120.0(3) . . ?
C31A C30A H30A 120.0 . . ?
C29A C30A H30A 120.0 . . ?
C29B C30B C31B 120.0(3) . . ?
C29B C30B H30B 120.0 . . ?
C31B C30B H30B 120.0 . . ?
C28A C29A C30A 120.2(3) . . ?
C28A C29A H29A 119.9 . . ?
C30A C29A H29A 119.9 . . ?
C30B C29B C34B 119.7(2) . . ?
C30B C29B Sb2 121.43(19) . . ?
C34B C29B Sb2 118.66(19) . . ?
C36A C37A C38A 120.1(2) . . ?
C36A C37A H37A 119.9 . . ?
C38A C37A H37A 119.9 . . ?
C36B C37B C38B 120.4(3) . . ?
C36B C37B H37B 119.8 . . ?
C38B C37B H37B 119.8 . . ?
C37A C38A C39A 120.1(3) . . ?
C37A C38A H38A 120.0 . . ?
C39A C38A H38A 120.0 . . ?
C39B C38B C37B 119.9(3) . . ?
C39B C38B H38B 120.1 . . ?
C37B C38B H38B 120.1 . . ?
C38A C39A C34A 120.2(2) . . ?
C38A C39A H39A 119.9 . . ?
C34A C39A H39A 119.9 . . ?
C38B C39B C40B 120.5(3) . . ?
C38B C39B H39B 119.8 . . ?
C40B C39B H39B 119.8 . . ?
C39B C40B C35B 119.7(3) . . ?
C39B C40B H40B 120.2 . . ?
C35B C40B H40B 120.2 . . ?
O1 C43 C44 107.1(3) . . ?
O1 C43 H43A 110.3 . . ?
C44 C43 H43A 110.3 . . ?
O1 C43 H43B 110.3 . . ?
C44 C43 H43B 110.3 . . ?
H43A C43 H43B 108.6 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C42 C41 H41A 109.5 . . ?
C42 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C42 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
O1 C42 C41 105.5(3) . . ?
O1 C42 H42A 110.6 . . ?
C41 C42 H42A 110.6 . . ?
O1 C42 H42B 110.6 . . ?
C41 C42 H42B 110.6 . . ?
H42A C42 H42B 108.8 . . ?
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
Pt1 N1 1.996(2) . ?
Pt1 C18A 2.092(2) . ?
Pt1 C1A 2.110(2) . ?
Pt1 Sb1 2.4869(3) . ?
Pt2 N2 1.994(2) . ?
Pt2 C18B 2.098(2) . ?
Pt2 C1B 2.100(2) . ?
Pt2 Sb2 2.4930(3) . ?
Sb1 C22A 2.125(2) . ?
Sb1 C34A 2.126(2) . ?
Sb1 C28A 2.128(2) . ?
O1 C43 1.309(5) . ?
O1 C42 1.417(5) . ?
N1 C13A 1.337(3) . ?
N1 C10A 1.339(3) . ?
Sb2 C35B 2.124(3) . ?
Sb2 C23B 2.125(2) . ?
Sb2 C29B 2.131(2) . ?
N2 C13B 1.332(3) . ?
N2 C10B 1.340(3) . ?
C2A C1A 1.390(3) . ?
C2A C3A 1.411(4) . ?
C2A H2A 0.9500 . ?
C2B C1B 1.394(4) . ?
C2B C3B 1.419(3) . ?
C2B H2B 0.9500 . ?
C1A C6A 1.440(3) . ?
C1B C6B 1.435(3) . ?
C3A C4A 1.384(4) . ?
C3A H3A 0.9500 . ?
C3B C4B 1.384(4) . ?
C3B H3B 0.9500 . ?
C4A C5A 1.410(4) . ?
C4A H4A 0.9500 . ?
C4B C5B 1.414(4) . ?
C4B H4B 0.9500 . ?
C5A C6A 1.415(3) . ?
C5A C7A 1.449(4) . ?
C5B C6B 1.404(3) . ?
C5B C7B 1.442(4) . ?
C15A C14A 1.360(3) . ?
C15A C16A 1.448(3) . ?
C15A H15A 0.9500 . ?
C15B C14B 1.359(4) . ?
C15B C16B 1.449(4) . ?
C15B H15B 0.9500 . ?
C6A C10A 1.423(3) . ?
C6B C10B 1.425(4) . ?
C16A C17A 1.404(3) . ?
C16A C21A 1.411(3) . ?
C16B C17B 1.411(3) . ?
C16B C21B 1.414(4) . ?
C17A C13A 1.429(3) . ?
C17A C18A 1.434(3) . ?
C17B C13B 1.425(3) . ?
C17B C18B 1.431(3) . ?
C7A C8A 1.357(4) . ?
C7A H7A 0.9500 . ?
C7B C8B 1.365(4) . ?
C7B H7B 0.9500 . ?
C8A C9A 1.440(3) . ?
C8A H8A 0.9500 . ?
C8B C9B 1.440(4) . ?
C8B H8B 0.9500 . ?
C9A C11A 1.402(3) . ?
C9A C10A 1.413(3) . ?
C9B C11B 1.402(4) . ?
C9B C10B 1.417(3) . ?
C19A C18A 1.394(3) . ?
C19A C20A 1.418(4) . ?
C19A H19A 0.9500 . ?
C19B C18B 1.395(3) . ?
C19B C20B 1.413(3) . ?
C19B H19B 0.9500 . ?
C11A C12A 1.407(3) . ?
C11A H11A 0.9500 . ?
C11B C12B 1.403(4) . ?
C11B H11B 0.9500 . ?
C12A C13A 1.412(3) . ?
C12A C14A 1.444(3) . ?
C12B C13B 1.411(3) . ?
C12B C14B 1.446(4) . ?
C14A H14A 0.9500 . ?
C14B H14B 0.9500 . ?
C34A C39A 1.397(3) . ?
C34A C35A 1.400(3) . ?
C34B C33B 1.394(4) . ?
C34B C29B 1.396(4) . ?
C34B H34B 0.9500 . ?
C20A C21A 1.379(4) . ?
C20A H20A 0.9500 . ?
C20B C21B 1.377(4) . ?
C20B H20B 0.9500 . ?
C35A C36A 1.396(4) . ?
C35A H35A 0.9500 . ?
C35B C40B 1.399(4) . ?
C35B C36B 1.399(4) . ?
C21A H21A 0.9500 . ?
C21B H21B 0.9500 . ?
C36A C37A 1.386(4) . ?
C36A H36A 0.9500 . ?
C36B C37B 1.385(4) . ?
C36B H36B 0.9500 . ?
C22A C23A 1.397(4) . ?
C22A C27A 1.400(4) . ?
C23A C24A 1.392(4) . ?
C23A H23A 0.9500 . ?
C23B C28B 1.393(4) . ?
C23B C24B 1.395(4) . ?
C24A C25A 1.389(4) . ?
C24A H24A 0.9500 . ?
C24B C25B 1.390(4) . ?
C24B H24B 0.9500 . ?
C26A C27A 1.388(4) . ?
C26A C25A 1.392(4) . ?
C26A H26A 0.9500 . ?
C26B C27B 1.384(6) . ?
C26B C25B 1.391(6) . ?
C26B H26B 0.9500 . ?
C27A H27A 0.9500 . ?
C27B C28B 1.390(4) . ?
C27B H27B 0.9500 . ?
C28A C29A 1.393(4) . ?
C28A C33A 1.395(4) . ?
C28B H28B 0.9500 . ?
C25A H25A 0.9500 . ?
C25B H25B 0.9500 . ?
C33A C32A 1.402(4) . ?
C33A H33A 0.9500 . ?
C33B C32B 1.392(5) . ?
C33B H33B 0.9500 . ?
C32A C31A 1.388(5) . ?
C32A H32A 0.9500 . ?
C32B C31B 1.383(5) . ?
C32B H32B 0.9500 . ?
C31A C30A 1.389(4) . ?
C31A H31A 0.9500 . ?
C31B C30B 1.393(4) . ?
C31B H31B 0.9500 . ?
C30A C29A 1.394(4) . ?
C30A H30A 0.9500 . ?
C30B C29B 1.390(4) . ?
C30B H30B 0.9500 . ?
C29A H29A 0.9500 . ?
C37A C38A 1.389(4) . ?
C37A H37A 0.9500 . ?
C37B C38B 1.389(5) . ?
C37B H37B 0.9500 . ?
C38A C39A 1.393(4) . ?
C38A H38A 0.9500 . ?
C38B C39B 1.384(5) . ?
C38B H38B 0.9500 . ?
C39A H39A 0.9500 . ?
C39B C40B 1.393(4) . ?
C39B H39B 0.9500 . ?
C40B H40B 0.9500 . ?
C43 C44 1.621(7) . ?
C43 H43A 0.9900 . ?
C43 H43B 0.9900 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C41 C42 1.498(5) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
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
C3A C2A C1A C6A 0.2(4) . . . . ?
C3A C2A C1A Pt1 -179.6(2) . . . . ?
C3B C2B C1B C6B 0.9(4) . . . . ?
C3B C2B C1B Pt2 -176.4(2) . . . . ?
C1A C2A C3A C4A -0.9(4) . . . . ?
C1B C2B C3B C4B -1.0(4) . . . . ?
C2A C3A C4A C5A 0.7(4) . . . . ?
C2B C3B C4B C5B 0.4(4) . . . . ?
C3A C4A C5A C6A 0.1(4) . . . . ?
C3A C4A C5A C7A 179.5(3) . . . . ?
C3B C4B C5B C6B 0.0(4) . . . . ?
C3B C4B C5B C7B 179.4(2) . . . . ?
C4A C5A C6A C10A 178.8(2) . . . . ?
C7A C5A C6A C10A -0.6(3) . . . . ?
C4A C5A C6A C1A -0.9(4) . . . . ?
C7A C5A C6A C1A 179.6(2) . . . . ?
C2A C1A C6A C5A 0.8(4) . . . . ?
Pt1 C1A C6A C5A -179.4(2) . . . . ?
C2A C1A C6A C10A -179.0(2) . . . . ?
Pt1 C1A C6A C10A 0.8(3) . . . . ?
C4B C5B C6B C10B 178.3(2) . . . . ?
C7B C5B C6B C10B -1.1(4) . . . . ?
C4B C5B C6B C1B 0.0(4) . . . . ?
C7B C5B C6B C1B -179.4(2) . . . . ?
C2B C1B C6B C5B -0.5(4) . . . . ?
Pt2 C1B C6B C5B 177.5(2) . . . . ?
C2B C1B C6B C10B -178.8(2) . . . . ?
Pt2 C1B C6B C10B -0.8(3) . . . . ?
C14A C15A C16A C17A 0.2(4) . . . . ?
C14A C15A C16A C21A 179.7(2) . . . . ?
C14B C15B C16B C17B -1.0(4) . . . . ?
C14B C15B C16B C21B 179.7(2) . . . . ?
C21A C16A C17A C13A -178.8(2) . . . . ?
C15A C16A C17A C13A 0.7(3) . . . . ?
C21A C16A C17A C18A 0.1(4) . . . . ?
C15A C16A C17A C18A 179.7(2) . . . . ?
C21B C16B C17B C13B 179.5(2) . . . . ?
C15B C16B C17B C13B 0.2(3) . . . . ?
C21B C16B C17B C18B -0.1(4) . . . . ?
C15B C16B C17B C18B -179.4(2) . . . . ?
C4A C5A C7A C8A -179.0(3) . . . . ?
C6A C5A C7A C8A 0.5(4) . . . . ?
C6B C5B C7B C8B 0.7(4) . . . . ?
C4B C5B C7B C8B -178.7(3) . . . . ?
C5A C7A C8A C9A 0.0(4) . . . . ?
C5B C7B C8B C9B 0.2(4) . . . . ?
C7A C8A C9A C11A 178.3(2) . . . . ?
C7A C8A C9A C10A -0.3(4) . . . . ?
C7B C8B C9B C11B -179.8(3) . . . . ?
C7B C8B C9B C10B -0.5(4) . . . . ?
C13A N1 C10A C9A 0.1(3) . . . . ?
Pt1 N1 C10A C9A 178.50(17) . . . . ?
C13A N1 C10A C6A 179.6(2) . . . . ?
Pt1 N1 C10A C6A -2.0(3) . . . . ?
C11A C9A C10A N1 0.8(3) . . . . ?
C8A C9A C10A N1 179.6(2) . . . . ?
C11A C9A C10A C6A -178.6(2) . . . . ?
C8A C9A C10A C6A 0.1(4) . . . . ?
C5A C6A C10A N1 -179.1(2) . . . . ?
C1A C6A C10A N1 0.6(3) . . . . ?
C5A C6A C10A C9A 0.4(4) . . . . ?
C1A C6A C10A C9A -179.9(2) . . . . ?
C13B N2 C10B C9B 0.5(4) . . . . ?
Pt2 N2 C10B C9B -178.13(18) . . . . ?
C13B N2 C10B C6B -179.9(2) . . . . ?
Pt2 N2 C10B C6B 1.4(3) . . . . ?
C11B C9B C10B N2 -1.1(4) . . . . ?
C8B C9B C10B N2 179.6(2) . . . . ?
C11B C9B C10B C6B 179.4(2) . . . . ?
C8B C9B C10B C6B 0.1(4) . . . . ?
C5B C6B C10B N2 -178.8(2) . . . . ?
C1B C6B C10B N2 -0.4(3) . . . . ?
C5B C6B C10B C9B 0.8(4) . . . . ?
C1B C6B C10B C9B 179.2(2) . . . . ?
C20A C19A C18A C17A 0.0(4) . . . . ?
C20A C19A C18A Pt1 178.2(2) . . . . ?
C16A C17A C18A C19A 0.2(4) . . . . ?
C13A C17A C18A C19A 179.1(2) . . . . ?
C16A C17A C18A Pt1 -178.56(19) . . . . ?
C13A C17A C18A Pt1 0.4(3) . . . . ?
C20B C19B C18B C17B 0.2(3) . . . . ?
C20B C19B C18B Pt2 -178.9(2) . . . . ?
C16B C17B C18B C19B -0.2(4) . . . . ?
C13B C17B C18B C19B -179.9(2) . . . . ?
C16B C17B C18B Pt2 179.1(2) . . . . ?
C13B C17B C18B Pt2 -0.5(3) . . . . ?
C10A C9A C11A C12A -0.8(3) . . . . ?
C8A C9A C11A C12A -179.4(2) . . . . ?
C10B C9B C11B C12B 0.7(4) . . . . ?
C8B C9B C11B C12B 179.9(3) . . . . ?
C9A C11A C12A C13A -0.1(3) . . . . ?
C9A C11A C12A C14A 179.5(2) . . . . ?
C9B C11B C12B C13B 0.3(4) . . . . ?
C9B C11B C12B C14B -179.0(2) . . . . ?
C10A N1 C13A C12A -1.1(3) . . . . ?
Pt1 N1 C13A C12A -179.51(17) . . . . ?
C10A N1 C13A C17A 179.3(2) . . . . ?
Pt1 N1 C13A C17A 0.9(3) . . . . ?
C11A C12A C13A N1 1.1(3) . . . . ?
C14A C12A C13A N1 -178.6(2) . . . . ?
C11A C12A C13A C17A -179.3(2) . . . . ?
C14A C12A C13A C17A 1.0(3) . . . . ?
C16A C17A C13A N1 178.2(2) . . . . ?
C18A C17A C13A N1 -0.8(3) . . . . ?
C16A C17A C13A C12A -1.4(3) . . . . ?
C18A C17A C13A C12A 179.6(2) . . . . ?
C10B N2 C13B C12B 0.5(4) . . . . ?
Pt2 N2 C13B C12B 179.17(17) . . . . ?
C10B N2 C13B C17B -178.9(2) . . . . ?
Pt2 N2 C13B C17B -0.2(3) . . . . ?
C11B C12B C13B N2 -0.9(4) . . . . ?
C14B C12B C13B N2 178.5(2) . . . . ?
C11B C12B C13B C17B 178.4(2) . . . . ?
C14B C12B C13B C17B -2.2(4) . . . . ?
C16B C17B C13B N2 -179.2(2) . . . . ?
C18B C17B C13B N2 0.5(3) . . . . ?
C16B C17B C13B C12B 1.4(4) . . . . ?
C18B C17B C13B C12B -178.9(2) . . . . ?
C16A C15A C14A C12A -0.5(4) . . . . ?
C11A C12A C14A C15A -179.6(2) . . . . ?
C13A C12A C14A C15A 0.0(3) . . . . ?
C16B C15B C14B C12B 0.2(4) . . . . ?
C11B C12B C14B C15B -179.4(3) . . . . ?
C13B C12B C14B C15B 1.3(4) . . . . ?
C18A C19A C20A C21A -0.4(4) . . . . ?
C18B C19B C20B C21B 0.1(4) . . . . ?
C39A C34A C35A C36A 0.0(4) . . . . ?
Sb1 C34A C35A C36A 176.28(19) . . . . ?
C19A C20A C21A C16A 0.7(4) . . . . ?
C17A C16A C21A C20A -0.6(4) . . . . ?
C15A C16A C21A C20A 179.9(2) . . . . ?
C19B C20B C21B C16B -0.4(4) . . . . ?
C17B C16B C21B C20B 0.4(4) . . . . ?
C15B C16B C21B C20B 179.7(2) . . . . ?
C34A C35A C36A C37A -1.0(4) . . . . ?
C40B C35B C36B C37B -0.3(4) . . . . ?
Sb2 C35B C36B C37B 175.7(2) . . . . ?
C27A C22A C23A C24A 1.9(4) . . . . ?
Sb1 C22A C23A C24A -165.9(2) . . . . ?
C22A C23A C24A C25A 0.0(4) . . . . ?
C28B C23B C24B C25B 0.8(5) . . . . ?
Sb2 C23B C24B C25B -178.4(3) . . . . ?
C25A C26A C27A C22A -0.7(5) . . . . ?
C23A C22A C27A C26A -1.5(4) . . . . ?
Sb1 C22A C27A C26A 166.8(2) . . . . ?
C25B C26B C27B C28B 0.8(6) . . . . ?
C26B C27B C28B C23B -1.4(5) . . . . ?
C24B C23B C28B C27B 0.6(5) . . . . ?
Sb2 C23B C28B C27B 179.7(3) . . . . ?
C23A C24A C25A C26A -2.2(4) . . . . ?
C27A C26A C25A C24A 2.5(5) . . . . ?
C23B C24B C25B C26B -1.4(6) . . . . ?
C27B C26B C25B C24B 0.5(6) . . . . ?
C29A C28A C33A C32A -0.1(4) . . . . ?
Sb1 C28A C33A C32A 180.0(2) . . . . ?
C29B C34B C33B C32B 0.2(4) . . . . ?
C28A C33A C32A C31A 0.0(4) . . . . ?
C34B C33B C32B C31B -0.4(4) . . . . ?
C33A C32A C31A C30A 0.5(4) . . . . ?
C33B C32B C31B C30B 0.9(4) . . . . ?
C32A C31A C30A C29A -0.8(4) . . . . ?
C32B C31B C30B C29B -1.1(4) . . . . ?
C33A C28A C29A C30A -0.2(4) . . . . ?
Sb1 C28A C29A C30A 179.7(2) . . . . ?
C31A C30A C29A C28A 0.7(4) . . . . ?
C31B C30B C29B C34B 0.8(4) . . . . ?
C31B C30B C29B Sb2 175.3(2) . . . . ?
C33B C34B C29B C30B -0.3(4) . . . . ?
C33B C34B C29B Sb2 -175.0(2) . . . . ?
C35A C36A C37A C38A 0.6(4) . . . . ?
C35B C36B C37B C38B -0.1(4) . . . . ?
C36A C37A C38A C39A 0.7(4) . . . . ?
C36B C37B C38B C39B 0.1(5) . . . . ?
C37A C38A C39A C34A -1.6(4) . . . . ?
C35A C34A C39A C38A 1.2(4) . . . . ?
Sb1 C34A C39A C38A -175.20(19) . . . . ?
C37B C38B C39B C40B 0.3(5) . . . . ?
C38B C39B C40B C35B -0.8(4) . . . . ?
C36B C35B C40B C39B 0.8(4) . . . . ?
Sb2 C35B C40B C39B -175.4(2) . . . . ?
C42 O1 C43 C44 179.8(3) . . . . ?
C43 O1 C42 C41 173.0(3) . . . . ?
