#------------------------------------------------------------------------------
#$Date: 2019-11-24 22:43:26 +0200 (Sun, 24 Nov 2019) $
#$Revision: 239637 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/69/4516931.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_4516931
loop_
_publ_author_name
'Juvenal, Frank'
'Bonnot, Antoine'
'Fortin, Daniel'
'Harvey, Pierre D.'
_publ_section_title
;
 The
 trans-Bis(p-thioetherphenylacetynyl)bis(phosphine)platinum(II)
 Ligands: A Step towards Predictability and Crystal Design.
;
_journal_issue                   10
_journal_name_full               'ACS omega'
_journal_page_first              7433
_journal_page_last               7443
_journal_paper_doi               10.1021/acsomega.7b01352
_journal_volume                  2
_journal_year                    2017
_chemical_absolute_configuration unk
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C30 H44 Cu2 I2 P2 Pt1 S2'
_chemical_formula_sum            'C30 H44 Cu2 I2 P2 Pt S2'
_chemical_formula_weight         1106.68
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4
_audit_creation_date             2014-12-03T15:46:20-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 111.058(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.5855(9)
_cell_length_b                   13.7576(14)
_cell_length_c                   11.9138(9)
_cell_measurement_reflns_used    9926
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.6255
_cell_measurement_theta_min      2.3542
_cell_measurement_wavelength     0.71073
_cell_volume                     1772.1(3)
_computing_cell_refinement       'SAINT V8.27B integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_type       'x-axis to radiation source'
_diffrn_orient_matrix_UB_11      0.563154E-1
_diffrn_orient_matrix_UB_12      0.395915E-1
_diffrn_orient_matrix_UB_13      -0.286424E-1
_diffrn_orient_matrix_UB_21      -0.637978E-1
_diffrn_orient_matrix_UB_22      0.502716E-3
_diffrn_orient_matrix_UB_23      -0.829993E-1
_diffrn_orient_matrix_UB_31      -0.360674E-1
_diffrn_orient_matrix_UB_32      0.609287E-1
_diffrn_orient_matrix_UB_33      0.192967E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0249
_diffrn_reflns_av_unetI/netI     0.0408
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9841
_diffrn_reflns_reduction_process
;
 Scaled and merged with Sortav
 R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
 R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         26.64
_diffrn_reflns_theta_min         1.88
_diffrn_source                   'sealed x-ray tube'
_exptl_absorpt_coefficient_mu    7.096
_exptl_absorpt_correction_T_max  0.745
_exptl_absorpt_correction_T_min  0.324
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2012/1 - Bruker AXS area detector scaling and absorption correction
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.074
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1056
_exptl_crystal_size_max          0.341
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.234
_refine_diff_density_min         -1.161
_refine_diff_density_rms         0.11
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.49(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         6181
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.144
_refine_ls_R_factor_all          0.0266
_refine_ls_R_factor_gt           0.0233
_refine_ls_shift/su_max          0.476
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0129P)²+1.3225P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0568
_refine_ls_wR_factor_ref         0.0581
_reflns_number_gt                5650
_reflns_number_total             6181
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ao7b01352_si_002.cif
_cod_data_source_block           mo_hravey_fj_2_47_2_0m
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4516931
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.6727(11) 0.1813(7) 0.5260(11) 0.0150(3) Uani 1 1 d G
C2 C 0.6674(11) 0.0944(7) 0.5836(10) 0.0150(3) Uani 1 1 d G
H2 H 0.5899 0.0641 0.5699 0.018 Uiso 1 1 calc R
C3 C 0.7755(11) 0.0519(10) 0.6610(11) 0.0150(3) Uani 1 1 d G
H3 H 0.7719 -0.0075 0.7003 0.018 Uiso 1 1 calc R
C4 C 0.8890(12) 0.0963(11) 0.6810(13) 0.0150(3) Uani 1 1 d G
C29 C 1.0069(10) 0.0585(10) 0.7651(10) 0.0159(7) Uani 1 1 d .
C5 C 0.8943(10) 0.1831(10) 0.6234(8) 0.0150(3) Uani 1 1 d G
H5 H 0.9718 0.2134 0.6371 0.018 Uiso 1 1 calc R
C6 C 0.7862(11) 0.2256(11) 0.5460(11) 0.0150(3) Uani 1 1 d G
H6 H 0.7898 0.285 0.5067 0.018 Uiso 1 1 calc R
C7 C 0.5650(15) 0.3630(12) 0.4080(16) 0.032(4) Uani 1 1 d .
H7A H 0.5943 0.4005 0.483 0.048 Uiso 1 1 calc R
H7B H 0.4904 0.3936 0.3513 0.048 Uiso 1 1 calc R
H7C H 0.6295 0.3615 0.3728 0.048 Uiso 1 1 calc R
C8 C 0.9321(12) -0.2673(12) 0.5873(12) 0.020(3) Uani 1 1 d .
H8A H 0.8931 -0.2643 0.6478 0.03 Uiso 1 1 calc R
H8B H 1.0066 -0.3078 0.6174 0.03 Uiso 1 1 calc R
H8C H 0.874 -0.2956 0.513 0.03 Uiso 1 1 calc R
C9 C 1.3990(10) 0.0385(13) 1.1489(10) 0.0159(7) Uani 1 1 d .
C10 C 1.4974(10) 0.0364(10) 1.2401(11) 0.0159(7) Uani 1 1 d .
C30 C 1.1015(10) 0.0399(13) 0.8459(10) 0.0159(7) Uani 1 1 d .
C11 C 1.6072(12) -0.0118(11) 1.3218(13) 0.0150(3) Uani 1 1 d .
C12 C 1.7225(11) 0.0290(10) 1.3352(11) 0.0150(3) Uani 1 1 d .
H12 H 1.7265 0.0864 1.2924 0.018 Uiso 1 1 calc R
C13 C 1.8325(11) -0.0151(7) 1.4122(10) 0.0150(3) Uani 1 1 d .
H13 H 1.9106 0.0135 1.4237 0.018 Uiso 1 1 calc R
C14 C 0.8250(11) -0.1016(8) 0.4716(11) 0.0150(3) Uani 1 1 d .
C15 C 0.7171(11) -0.1434(11) 0.4503(11) 0.0150(3) Uani 1 1 d .
H15 H 0.7149 -0.2076 0.4786 0.018 Uiso 1 1 calc R
C16 C 1.6050(10) -0.0962(10) 1.3871(8) 0.0150(3) Uani 1 1 d .
H16 H 1.529 -0.121 1.3886 0.018 Uiso 1 1 calc R
C17 C 1.5301(13) 0.0963(12) 0.9675(15) 0.0248(13) Uani 1 1 d .
H17A H 1.5712 0.1361 0.9235 0.03 Uiso 1 1 calc R
H17B H 1.5587 0.1202 1.0515 0.03 Uiso 1 1 calc R
C18 C 1.5720(12) -0.0104(11) 0.9684(12) 0.0248(13) Uani 1 1 d .
H18A H 1.5438 -0.0484 1.0232 0.037 Uiso 1 1 calc R
H18B H 1.6624 -0.013 0.9955 0.037 Uiso 1 1 calc R
H18C H 1.5363 -0.0373 0.887 0.037 Uiso 1 1 calc R
C19 C 1.3224(13) 0.0800(12) 0.7473(12) 0.0248(13) Uani 1 1 d .
H19A H 1.3226 0.0081 0.7446 0.03 Uiso 1 1 calc R
H19B H 1.236 0.1013 0.7047 0.03 Uiso 1 1 calc R
C20 C 1.4010(13) 0.1174(12) 0.6741(15) 0.0248(13) Uani 1 1 d .
H20A H 1.403 0.1886 0.6756 0.037 Uiso 1 1 calc R
H20B H 1.3641 0.0949 0.5907 0.037 Uiso 1 1 calc R
H20C H 1.4855 0.0922 0.7099 0.037 Uiso 1 1 calc R
C21 C 1.3485(14) 0.2483(12) 0.8902(14) 0.0248(13) Uani 1 1 d .
H21A H 1.3813 0.275 0.9729 0.03 Uiso 1 1 calc R
H21B H 1.4011 0.2735 0.8471 0.03 Uiso 1 1 calc R
C22 C 1.2288(15) 0.2841(14) 0.8331(17) 0.0248(13) Uani 1 1 d .
H22A H 1.201 0.2697 0.7469 0.037 Uiso 1 1 calc R
H22B H 1.2284 0.3546 0.8449 0.037 Uiso 1 1 calc R
H22C H 1.1728 0.2531 0.8675 0.037 Uiso 1 1 calc R
C23 C 1.1831(12) 0.0119(11) 1.2610(10) 0.0188(17) Uani 1 1 d .
H23A H 1.2682 -0.0116 1.305 0.023 Uiso 1 1 calc R
H23B H 1.1852 0.0838 1.263 0.023 Uiso 1 1 calc R
C24 C 1.1013(17) -0.0226(15) 1.3248(16) 0.044(3) Uani 1 1 d .
H24A H 1.0234 0.0137 1.296 0.067 Uiso 1 1 calc R
H24B H 1.1425 -0.0123 1.4115 0.067 Uiso 1 1 calc R
H24C H 1.0842 -0.092 1.3089 0.067 Uiso 1 1 calc R
C25 C 1.1402(12) -0.1599(10) 1.0993(12) 0.0168(17) Uani 1 1 d .
H25A H 1.0836 -0.1864 1.1372 0.02 Uiso 1 1 calc R
H25B H 1.1112 -0.1827 1.0149 0.02 Uiso 1 1 calc R
C26 C 1.2807(18) -0.2019(15) 1.1711(19) 0.038(3) Uani 1 1 d .
H26A H 1.3329 -0.1882 1.124 0.057 Uiso 1 1 calc R
H26B H 1.277 -0.2723 1.1821 0.057 Uiso 1 1 calc R
H26C H 1.3158 -0.1703 1.2498 0.057 Uiso 1 1 calc R
C27 C 0.9680(10) -0.0050(12) 1.0405(13) 0.022(2) Uani 1 1 d .
H27A H 0.9323 -0.0322 0.9582 0.027 Uiso 1 1 calc R
H27B H 0.9284 -0.0383 1.091 0.027 Uiso 1 1 calc R
C28 C 0.9394(12) 0.1036(13) 1.0364(16) 0.047(3) Uani 1 1 d .
H28A H 0.9427 0.1252 1.1159 0.071 Uiso 1 1 calc R
H28B H 0.8565 0.1157 0.9771 0.071 Uiso 1 1 calc R
H28C H 1.0006 0.1396 1.0136 0.071 Uiso 1 1 calc R
P1 P 1.3648(3) 0.1151(3) 0.8998(4) 0.0157(9) Uani 1 1 d .
P2 P 1.1342(3) -0.0289(3) 1.1010(4) 0.0143(8) Uani 1 1 d .
Cu1 Cu 0.42257(16) 0.16483(16) 0.25787(17) 0.0193(5) Uani 1 1 d .
Cu2 Cu 1.07594(16) -0.07924(16) 0.74231(17) 0.0189(5) Uani 1 1 d .
I1 I 0.24772(10) 0.28779(4) 0.18061(12) 0.0240(3) Uani 1 1 d .
I2 I 1.25152(11) -0.20230(5) 0.81834(12) 0.0242(3) Uani 1 1 d .
Pt1 Pt 1.24960(6) 0.04292(13) 0.99959(6) 0.01098(5) Uani 1 1 d .
S1 S 0.5282(3) 0.2355(3) 0.4405(3) 0.0162(9) Uani 1 1 d .
S2 S 0.9721(3) -0.1510(3) 0.5585(3) 0.0191(9) Uani 1 1 d .
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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 '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
C2 C1 C6 120.0(12) . .
C2 C1 S1 116.3(9) . .
C6 C1 S1 123.4(8) . .
C3 C2 C1 120.0(11) . .
C4 C3 C2 120.0(12) . .
C3 C4 C5 120.0(12) . .
C3 C4 C29 123.5(13) . .
C5 C4 C29 116.4(11) . .
C30 C29 C4 169.2(18) . .
C30 C29 Cu2 68.4(13) . .
C4 C29 Cu2 122.1(9) . .
C6 C5 C4 120.0(12) . .
C5 C6 C1 120.0(13) . .
C10 C9 Pt1 176.8(12) . .
C10 C9 Cu1 67.4(11) . 1_656
Pt1 C9 Cu1 113.6(7) . 1_656
C9 C10 C11 152.8(19) . .
C9 C10 Cu1 77.3(12) . 1_656
C11 C10 Cu1 129.5(10) . 1_656
C29 C30 Cu2 77.9(12) . .
C29 C30 Pt1 164.2(17) . .
Cu2 C30 Pt1 117.8(7) . .
C12 C11 C16 118.3(12) . .
C12 C11 C10 117.5(13) . .
C16 C11 C10 124.2(11) . .
C11 C12 C13 120.2(12) . .
C14 C13 C12 119.1(11) 1_656 .
C15 C14 C13 120.0(12) . 1_454
C15 C14 S2 126.2(9) . .
C13 C14 S2 113.4(9) 1_454 .
C14 C15 C16 122.3(13) . 1_454
C11 C16 C15 118.8(11) . 1_656
C18 C17 P1 114.7(10) . .
C20 C19 P1 118.9(11) . .
C22 C21 P1 116.3(13) . .
C24 C23 P2 114.2(10) . .
C26 C25 P2 112.3(11) . .
C28 C27 P2 111.9(10) . .
C19 P1 C17 106.1(8) . .
C19 P1 C21 102.9(8) . .
C17 P1 C21 103.8(8) . .
C19 P1 Pt1 114.4(5) . .
C17 P1 Pt1 115.1(6) . .
C21 P1 Pt1 113.3(6) . .
C25 P2 C27 102.4(7) . .
C25 P2 C23 108.2(7) . .
C27 P2 C23 103.8(7) . .
C25 P2 Pt1 112.8(6) . .
C27 P2 Pt1 116.1(5) . .
C23 P2 Pt1 112.5(5) . .
C10 Cu1 C9 35.3(5) 1_454 1_454
C10 Cu1 S1 111.6(3) 1_454 .
C9 Cu1 S1 146.4(4) 1_454 .
C10 Cu1 I1 149.6(3) 1_454 .
C9 Cu1 I1 114.3(3) 1_454 .
S1 Cu1 I1 98.36(13) . .
C30 Cu2 C29 33.7(5) . .
C30 Cu2 S2 147.5(4) . .
C29 Cu2 S2 114.4(3) . .
C30 Cu2 I2 113.6(4) . .
C29 Cu2 I2 147.2(3) . .
S2 Cu2 I2 97.48(13) . .
C9 Pt1 C30 176.6(9) . .
C9 Pt1 P1 89.7(4) . .
C30 Pt1 P1 90.1(4) . .
C9 Pt1 P2 90.0(4) . .
C30 Pt1 P2 90.2(4) . .
P1 Pt1 P2 179.6(2) . .
C1 S1 C7 105.8(6) . .
C1 S1 Cu1 115.9(5) . .
C7 S1 Cu1 106.5(6) . .
C8 S2 C14 101.5(6) . .
C8 S2 Cu2 107.0(5) . .
C14 S2 Cu2 116.9(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.39 .
C1 C6 1.390(16) .
C1 S1 1.781(12) .
C2 C3 1.390(15) .
C3 C4 1.390(17) .
C4 C5 1.390(18) .
C4 C29 1.469(17) .
C29 C30 1.198(18) .
C29 Cu2 2.112(15) .
C5 C6 1.390(17) .
C7 S1 1.879(17) .
C8 S2 1.734(16) .
C9 C10 1.261(17) .
C9 Pt1 1.988(11) .
C9 Cu1 2.128(16) 1_656
C10 C11 1.454(18) .
C10 Cu1 2.013(14) 1_656
C30 Cu2 2.008(16) .
C30 Pt1 2.010(11) .
C11 C12 1.403(17) .
C11 C16 1.404(18) .
C12 C13 1.412(16) .
C13 C14 1.404(7) 1_656
C14 C15 1.315(17) .
C14 C13 1.404(7) 1_454
C14 S2 1.781(12) .
C15 C16 1.404(17) 1_454
C16 C15 1.404(17) 1_656
C17 C18 1.545(19) .
C17 P1 1.810(15) .
C19 C20 1.56(2) .
C19 P1 1.771(14) .
C21 C22 1.40(2) .
C21 P1 1.841(17) .
C23 C24 1.49(2) .
C23 P2 1.869(11) .
C25 C26 1.65(2) .
C25 P2 1.805(15) .
C27 C28 1.53(2) .
C27 P2 1.827(12) .
P1 Pt1 2.306(4) .
P2 Pt1 2.321(4) .
Cu1 C10 2.013(14) 1_454
Cu1 C9 2.128(16) 1_454
Cu1 S1 2.294(4) .
Cu1 I1 2.544(2) .
Cu2 S2 2.307(4) .
Cu2 I2 2.550(2) .
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_4
C6 C1 C2 C3 0.0(16) . .
S1 C1 C2 C3 -174.1(9) . .
C1 C2 C3 C4 0.0(17) . .
C2 C3 C4 C5 0.0(19) . .
C2 C3 C4 C29 177.3(12) . .
C3 C4 C29 C30 -104(9) . .
C5 C4 C29 C30 74(9) . .
C3 C4 C29 Cu2 62.0(17) . .
C5 C4 C29 Cu2 -120.5(11) . .
C3 C4 C5 C6 0.0(18) . .
C29 C4 C5 C6 -177.5(12) . .
C4 C5 C6 C1 0.0(16) . .
C2 C1 C6 C5 0.0(17) . .
S1 C1 C6 C5 173.6(10) . .
Pt1 C9 C10 C11 -8E1(3) . .
Cu1 C9 C10 C11 171(3) 1_656 .
Pt1 C9 C10 Cu1 11E1(3) . 1_656
C4 C29 C30 Cu2 167(8) . .
C4 C29 C30 Pt1 -7(13) . .
Cu2 C29 C30 Pt1 -174(5) . .
C9 C10 C11 C12 121(3) . .
Cu1 C10 C11 C12 -70.5(17) 1_656 .
C9 C10 C11 C16 -59(3) . .
Cu1 C10 C11 C16 109.8(14) 1_656 .
C16 C11 C12 C13 0.4(18) . .
C10 C11 C12 C13 -179.3(11) . .
C11 C12 C13 C14 2.1(17) . 1_656
C13 C14 C15 C16 -12.1(17) 1_454 1_454
S2 C14 C15 C16 175.8(10) . 1_454
C12 C11 C16 C15 -8.3(17) . 1_656
C10 C11 C16 C15 171.4(13) . 1_656
C20 C19 P1 C17 -46.8(14) . .
C20 C19 P1 C21 61.8(13) . .
C20 C19 P1 Pt1 -174.9(10) . .
C18 C17 P1 C19 -62.9(14) . .
C18 C17 P1 C21 -170.9(12) . .
C18 C17 P1 Pt1 64.7(13) . .
C22 C21 P1 C19 65.5(16) . .
C22 C21 P1 C17 175.9(14) . .
C22 C21 P1 Pt1 -58.6(15) . .
C26 C25 P2 C27 -170.5(12) . .
C26 C25 P2 C23 -61.2(13) . .
C26 C25 P2 Pt1 64.0(12) . .
C28 C27 P2 C25 178.5(12) . .
C28 C27 P2 C23 65.9(14) . .
C28 C27 P2 Pt1 -58.2(14) . .
C24 C23 P2 C25 -62.0(14) . .
C24 C23 P2 C27 46.3(14) . .
C24 C23 P2 Pt1 172.7(11) . .
Pt1 C30 Cu2 C29 178.2(15) . .
C29 C30 Cu2 S2 14.3(15) . .
Pt1 C30 Cu2 S2 -167.5(3) . .
C29 C30 Cu2 I2 176.6(8) . .
Pt1 C30 Cu2 I2 -5.1(8) . .
C4 C29 Cu2 C30 -177.2(17) . .
C30 C29 Cu2 S2 -171.7(9) . .
C4 C29 Cu2 S2 11.2(11) . .
C30 C29 Cu2 I2 -5.7(14) . .
C4 C29 Cu2 I2 177.1(7) . .
C10 C9 Pt1 C30 7E1(4) . .
Cu1 C9 Pt1 C30 177(14) 1_656 .
C10 C9 Pt1 P1 -2E1(3) . .
Cu1 C9 Pt1 P1 89.6(6) 1_656 .
C10 C9 Pt1 P2 16E1(3) . .
Cu1 C9 Pt1 P2 -90.1(6) 1_656 .
C29 C30 Pt1 C9 178(10) . .
Cu2 C30 Pt1 C9 4(15) . .
C29 C30 Pt1 P1 -95(5) . .
Cu2 C30 Pt1 P1 91.2(7) . .
C29 C30 Pt1 P2 85(5) . .
Cu2 C30 Pt1 P2 -89.1(7) . .
C19 P1 Pt1 C9 144.7(8) . .
C17 P1 Pt1 C9 21.4(8) . .
C21 P1 Pt1 C9 -97.8(7) . .
C19 P1 Pt1 C30 -32.0(7) . .
C17 P1 Pt1 C30 -155.2(8) . .
C21 P1 Pt1 C30 85.5(7) . .
C19 P1 Pt1 P2 -16E1(3) . .
C17 P1 Pt1 P2 8E1(3) . .
C21 P1 Pt1 P2 -4E1(3) . .
C25 P2 Pt1 C9 -87.2(7) . .
C27 P2 Pt1 C9 155.1(8) . .
C23 P2 Pt1 C9 35.6(7) . .
C25 P2 Pt1 C30 89.5(6) . .
C27 P2 Pt1 C30 -28.2(8) . .
C23 P2 Pt1 C30 -147.7(7) . .
C25 P2 Pt1 P1 -14E1(3) . .
C27 P2 Pt1 P1 10E1(3) . .
C23 P2 Pt1 P1 -2E1(3) . .
C2 C1 S1 C7 166.1(9) . .
C6 C1 S1 C7 -7.7(13) . .
C2 C1 S1 Cu1 -76.1(9) . .
C6 C1 S1 Cu1 110.0(9) . .
C10 Cu1 S1 C1 11.2(6) 1_454 .
C9 Cu1 S1 C1 19.9(8) 1_454 .
I1 Cu1 S1 C1 -173.6(4) . .
C10 Cu1 S1 C7 128.5(7) 1_454 .
C9 Cu1 S1 C7 137.3(9) 1_454 .
I1 Cu1 S1 C7 -56.3(5) . .
C15 C14 S2 C8 6.6(13) . .
C13 C14 S2 C8 -166.0(9) 1_454 .
C15 C14 S2 Cu2 -109.4(10) . .
C13 C14 S2 Cu2 78.0(9) 1_454 .
C30 Cu2 S2 C8 -137.0(9) . .
C29 Cu2 S2 C8 -128.4(6) . .
I2 Cu2 S2 C8 59.2(5) . .
C30 Cu2 S2 C14 -24.2(9) . .
C29 Cu2 S2 C14 -15.5(6) . .
I2 Cu2 S2 C14 172.1(4) . .
