#------------------------------------------------------------------------------
#$Date: 2020-11-06 13:48:33 +0100 (vie 06 de nov de 2020) $
#$Revision: 258923 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/99/7059900.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_7059900
loop_
_publ_author_name
'Frąckowiak, Arkadiusz'
'Barszcz, Bolesław'
'Olejniczak, Iwona'
'Tomasik, Mikołaj'
'Jarzyniak, Natalia'
'Świetlik, Roman'
'Auban-Senzier, Pascale'
'Fourmigué, Marc'
'Jeannin, Olivier'
'Camerel, Franck'
_publ_section_title
;
 Mixed valence trimers in cation radical salts of TMTTF with the planar
 bis(6-sulfo-8-quinolato) platinum complex [Pt(qS)2]2−
;
_journal_issue                   36
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              15538
_journal_page_last               15548
_journal_paper_doi               10.1039/D0NJ03584J
_journal_volume                  44
_journal_year                    2020
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C20 H12 Pt1 S8'
_chemical_formula_sum            'C21 H20 Cl3 N O4 Pt0.5 S5'
_chemical_formula_weight         714.57
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2020-04-15T21:40:06-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2020-04-15 deposited with the CCDC.	2020-08-14 downloaded from the CCDC.
;
_cell_angle_alpha                90.2050(10)
_cell_angle_beta                 113.0050(10)
_cell_angle_gamma                109.1680(10)
_cell_formula_units_Z            2
_cell_length_a                   9.8814(4)
_cell_length_b                   12.1332(4)
_cell_length_c                   12.3986(5)
_cell_measurement_reflns_used    7787
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      2.33
_cell_measurement_wavelength     0.71073
_cell_volume                     1277.47(9)
_computing_cell_refinement       'Bruker APEX2 (Bruker, 2006)'
_computing_data_collection       'Bruker APEX2 (Bruker, 2006)'
_computing_data_reduction        'Bruker APEX2 (Bruker, 2006)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'APEXII, Bruker-AXS'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_UB_11      0.030204
_diffrn_orient_matrix_UB_12      0.018271
_diffrn_orient_matrix_UB_13      -0.067848
_diffrn_orient_matrix_UB_21      -0.102934
_diffrn_orient_matrix_UB_22      0.009685
_diffrn_orient_matrix_UB_23      -0.046192
_diffrn_orient_matrix_UB_31      0.048577
_diffrn_orient_matrix_UB_32      0.085821
_diffrn_orient_matrix_UB_33      0.033491
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0397
_diffrn_reflns_av_unetI/netI     0.0465
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            19611
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.525
_diffrn_reflns_theta_min         2.559
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.522
_exptl_absorpt_correction_T_max  0.869
_exptl_absorpt_correction_T_min  0.810
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2002). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.858
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             710
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.04
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     317
_refine_ls_number_reflns         5787
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0294
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0249P)²+0.0798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0569
_refine_ls_wR_factor_ref         0.0577
_reflns_Friedel_coverage         0
_reflns_number_gt                5510
_reflns_number_total             5787
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0nj03584j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7059900--7059901.cif.'
_cod_original_formula_sum        'C21 H20 Cl3 N O4 Pt0.50 S5'
_cod_database_code               7059900
loop_
_symmetry_equiv_pos_as_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
C1 C 0.9302(3) 0.6361(2) 0.9665(2) 0.0155(6) Uani 1 1 d . . . . .
C2 C 0.7610(3) 0.6610(2) 0.7574(2) 0.0181(6) Uani 1 1 d . . . . .
C3 C 0.9078(4) 0.7357(2) 0.7821(2) 0.0196(6) Uani 1 1 d . . . . .
C4 C 0.6193(4) 0.6471(3) 0.6458(3) 0.0255(7) Uani 1 1 d . . . . .
H4A H 0.6515 0.6905 0.59 0.038 Uiso 1 1 calc R U . . .
H4B H 0.55 0.6768 0.663 0.038 Uiso 1 1 calc R U . . .
H4C H 0.5654 0.565 0.6125 0.038 Uiso 1 1 calc R U . . .
C5 C 0.9554(4) 0.8188(3) 0.7030(3) 0.0276(7) Uani 1 1 d . . . . .
H5A H 0.9167 0.776 0.6253 0.041 Uiso 1 1 calc R U . . .
H5B H 1.0681 0.8539 0.7352 0.041 Uiso 1 1 calc R U . . .
H5C H 0.9117 0.8796 0.6978 0.041 Uiso 1 1 calc R U . . .
C6 C 0.9803(3) 0.5987(2) 1.0769(2) 0.0159(6) Uani 1 1 d . . . . .
C7 C 1.1360(3) 0.5787(2) 1.2924(2) 0.0180(6) Uani 1 1 d . . . . .
C8 C 0.9867(3) 0.5053(2) 1.2635(2) 0.0176(6) Uani 1 1 d . . . . .
C9 C 1.2739(3) 0.6071(3) 1.4099(2) 0.0238(7) Uani 1 1 d . . . . .
H9A H 1.2856 0.678 1.4529 0.036 Uiso 1 1 calc R U . . .
H9B H 1.3675 0.6184 1.3979 0.036 Uiso 1 1 calc R U . . .
H9C H 1.2571 0.5432 1.4542 0.036 Uiso 1 1 calc R U . . .
C10 C 0.9262(4) 0.4289(3) 1.3412(3) 0.0236(7) Uani 1 1 d . . . . .
H10A H 1.0134 0.4257 1.4102 0.035 Uiso 1 1 calc R U . . .
H10B H 0.8627 0.3507 1.2983 0.035 Uiso 1 1 calc R U . . .
H10C H 0.8638 0.4612 1.3649 0.035 Uiso 1 1 calc R U . . .
C11 C 0.6712(3) 0.8327(2) 0.9344(2) 0.0186(6) Uani 1 1 d . . . . .
H11 H 0.644 0.8591 0.8613 0.022 Uiso 1 1 calc R U . . .
C12 C 0.5550(3) 0.7454(3) 0.9572(3) 0.0225(7) Uani 1 1 d . . . . .
H12 H 0.4526 0.7137 0.8988 0.027 Uiso 1 1 calc R U . . .
O1 O 1.1173(2) 0.97001(16) 1.16341(16) 0.0186(4) Uani 1 1 d . . . . .
C13 C 0.5920(3) 0.7070(2) 1.0645(2) 0.0191(6) Uani 1 1 d . . . . .
H13 H 0.5148 0.6493 1.0793 0.023 Uiso 1 1 calc R U . . .
C14 C 0.7483(3) 0.7549(2) 1.1539(2) 0.0157(6) Uani 1 1 d . . . . .
C15 C 0.8592(3) 0.8401(2) 1.1235(2) 0.0133(6) Uani 1 1 d . . . . .
C16 C 1.0215(3) 0.8924(2) 1.2016(2) 0.0162(6) Uani 1 1 d . . . . .
C17 C 1.0691(3) 0.8601(2) 1.3129(2) 0.0194(6) Uani 1 1 d . . . . .
H17 H 1.174 0.8932 1.3667 0.023 Uiso 1 1 calc R U . . .
C18 C 0.9604(3) 0.7778(2) 1.3452(2) 0.0176(6) Uani 1 1 d . . . . .
H18 H 0.9954 0.7574 1.4209 0.021 Uiso 1 1 calc R U . . .
C19 C 0.8035(3) 0.7255(2) 1.2700(2) 0.0150(6) Uani 1 1 d . . . . .
N1 N 0.8173(3) 0.87771(19) 1.01422(19) 0.0150(5) Uani 1 1 d . . . . .
C20 C 0.5934(4) 0.9334(3) 1.2822(3) 0.0275(7) Uani 1 1 d . . . . .
H20 H 0.5592 0.8484 1.2575 0.033 Uiso 1 1 calc R U . . .
C21 C 0.4786(4) 0.9529(3) 1.3218(3) 0.0323(8) Uani 1 1 d . . . . .
H21A H 0.4703 0.9047 1.3828 0.039 Uiso 1 1 calc R U . . .
H21B H 0.3759 0.9271 1.2554 0.039 Uiso 1 1 calc R U . . .
S1 S 0.73714(8) 0.57797(6) 0.86679(6) 0.01815(15) Uani 1 1 d . . . . .
S2 S 1.05261(9) 0.73985(6) 0.91992(6) 0.01999(16) Uani 1 1 d . . . . .
S3 S 1.17197(8) 0.65304(6) 1.18048(6) 0.01770(15) Uani 1 1 d . . . . .
S4 S 0.84983(8) 0.49972(6) 1.12113(6) 0.01856(15) Uani 1 1 d . . . . .
S5 S 0.67219(8) 0.62195(6) 1.31772(6) 0.01700(15) Uani 1 1 d . . . . .
Pt1 Pt 1 1 1 0.01478(6) Uani 1 2 d S . P . .
Cl1 Cl 0.59750(11) 1.00474(8) 1.15677(7) 0.0377(2) Uani 1 1 d . . . . .
Cl2 Cl 0.78496(10) 0.97871(7) 1.39926(7) 0.03452(19) Uani 1 1 d . . . . .
Cl3 Cl 0.53046(12) 1.10282(8) 1.37846(7) 0.0418(2) Uani 1 1 d . . . . .
O2 O 0.7658(2) 0.61902(18) 1.44080(17) 0.0252(5) Uani 1 1 d . . . . .
O3 O 0.6143(2) 0.51044(16) 1.24097(17) 0.0216(4) Uani 1 1 d . . . . .
O4 O 0.5476(2) 0.66720(17) 1.30226(18) 0.0239(5) 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'
S S 0.1246 0.1234 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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'
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
C6 C1 S2 123.8(2) . . ?
C6 C1 S1 120.8(2) . . ?
S2 C1 S1 115.35(16) . . ?
C3 C2 C4 125.0(3) . . ?
C3 C2 S1 116.4(2) . . ?
C4 C2 S1 118.6(2) . . ?
C2 C3 C5 125.7(3) . . ?
C2 C3 S2 116.7(2) . . ?
C5 C3 S2 117.6(2) . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C3 C5 H5A 109.5 . . ?
C3 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C3 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C1 C6 S3 123.2(2) . . ?
C1 C6 S4 121.5(2) . . ?
S3 C6 S4 115.25(16) . . ?
C8 C7 C9 127.9(3) . . ?
C8 C7 S3 116.3(2) . . ?
C9 C7 S3 115.8(2) . . ?
C7 C8 C10 126.9(3) . . ?
C7 C8 S4 116.5(2) . . ?
C10 C8 S4 116.6(2) . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 121.4(3) . . ?
N1 C11 H11 119.3 . . ?
C12 C11 H11 119.3 . . ?
C13 C12 C11 120.2(3) . . ?
C13 C12 H12 119.9 . . ?
C11 C12 H12 119.9 . . ?
C16 O1 Pt1 111.82(17) . . ?
C12 C13 C14 120.1(3) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C15 C14 C19 117.1(2) . . ?
C15 C14 C13 116.4(2) . . ?
C19 C14 C13 126.5(2) . . ?
N1 C15 C14 121.9(2) . . ?
N1 C15 C16 115.1(2) . . ?
C14 C15 C16 123.0(2) . . ?
O1 C16 C17 124.2(3) . . ?
O1 C16 C15 118.3(2) . . ?
C17 C16 C15 117.5(2) . . ?
C16 C17 C18 120.2(3) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 122.8(3) . . ?
C19 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?
C18 C19 C14 119.3(2) . . ?
C18 C19 S5 120.2(2) . . ?
C14 C19 S5 120.5(2) . . ?
C11 N1 C15 120.0(2) . . ?
C11 N1 Pt1 127.97(19) . . ?
C15 N1 Pt1 112.04(18) . . ?
C21 C20 Cl2 111.6(2) . . ?
C21 C20 Cl1 111.8(2) . . ?
Cl2 C20 Cl1 110.71(17) . . ?
C21 C20 H20 107.5 . . ?
Cl2 C20 H20 107.5 . . ?
Cl1 C20 H20 107.5 . . ?
C20 C21 Cl3 113.3(2) . . ?
C20 C21 H21A 108.9 . . ?
Cl3 C21 H21A 108.9 . . ?
C20 C21 H21B 108.9 . . ?
Cl3 C21 H21B 108.9 . . ?
H21A C21 H21B 107.7 . . ?
C1 S1 C2 95.88(14) . . ?
C1 S2 C3 95.75(14) . . ?
C6 S3 C7 95.84(14) . . ?
C6 S4 C8 96.01(13) . . ?
O2 S5 O4 113.21(12) . . ?
O2 S5 O3 113.32(12) . . ?
O4 S5 O3 112.20(12) . . ?
O2 S5 C19 105.34(13) . . ?
O4 S5 C19 105.88(12) . . ?
O3 S5 C19 106.06(12) . . ?
N1 Pt1 N1 180 2_777 . ?
N1 Pt1 O1 97.38(8) 2_777 . ?
N1 Pt1 O1 82.62(8) . . ?
N1 Pt1 O1 82.62(8) 2_777 2_777 ?
N1 Pt1 O1 97.38(8) . 2_777 ?
O1 Pt1 O1 180 . 2_777 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.395(4) . ?
C1 S2 1.712(3) . ?
C1 S1 1.712(3) . ?
C2 C3 1.345(4) . ?
C2 C4 1.495(4) . ?
C2 S1 1.736(3) . ?
C3 C5 1.502(4) . ?
C3 S2 1.735(3) . ?
C4 H4A 0.96 . ?
C4 H4B 0.96 . ?
C4 H4C 0.96 . ?
C5 H5A 0.96 . ?
C5 H5B 0.96 . ?
C5 H5C 0.96 . ?
C6 S3 1.716(3) . ?
C6 S4 1.717(3) . ?
C7 C8 1.349(4) . ?
C7 C9 1.494(4) . ?
C7 S3 1.747(3) . ?
C8 C10 1.496(4) . ?
C8 S4 1.738(3) . ?
C9 H9A 0.96 . ?
C9 H9B 0.96 . ?
C9 H9C 0.96 . ?
C10 H10A 0.96 . ?
C10 H10B 0.96 . ?
C10 H10C 0.96 . ?
C11 N1 1.312(4) . ?
C11 C12 1.406(4) . ?
C11 H11 0.93 . ?
C12 C13 1.363(4) . ?
C12 H12 0.93 . ?
O1 C16 1.332(3) . ?
O1 Pt1 2.0067(19) . ?
C13 C14 1.421(4) . ?
C13 H13 0.93 . ?
C14 C15 1.412(4) . ?
C14 C19 1.419(4) . ?
C15 N1 1.380(3) . ?
C15 C16 1.423(4) . ?
C16 C17 1.377(4) . ?
C17 C18 1.395(4) . ?
C17 H17 0.93 . ?
C18 C19 1.377(4) . ?
C18 H18 0.93 . ?
C19 S5 1.774(3) . ?
N1 Pt1 1.996(2) . ?
C20 C21 1.481(4) . ?
C20 Cl2 1.777(3) . ?
C20 Cl1 1.790(3) . ?
C20 H20 0.98 . ?
C21 Cl3 1.778(3) . ?
C21 H21A 0.97 . ?
C21 H21B 0.97 . ?
S5 O2 1.451(2) . ?
S5 O4 1.454(2) . ?
S5 O3 1.456(2) . ?
Pt1 N1 1.996(2) 2_777 ?
Pt1 O1 2.0068(19) 2_777 ?
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
C4 C2 C3 C5 0.5(5) . . . . ?
S1 C2 C3 C5 -177.9(2) . . . . ?
C4 C2 C3 S2 177.9(2) . . . . ?
S1 C2 C3 S2 -0.5(3) . . . . ?
S2 C1 C6 S3 0.2(3) . . . . ?
S1 C1 C6 S3 179.82(14) . . . . ?
S2 C1 C6 S4 176.66(14) . . . . ?
S1 C1 C6 S4 -3.8(3) . . . . ?
C9 C7 C8 C10 -4.1(5) . . . . ?
S3 C7 C8 C10 177.9(2) . . . . ?
C9 C7 C8 S4 175.4(2) . . . . ?
S3 C7 C8 S4 -2.6(3) . . . . ?
N1 C11 C12 C13 1.1(4) . . . . ?
C11 C12 C13 C14 -0.1(4) . . . . ?
C12 C13 C14 C15 -1.4(4) . . . . ?
C12 C13 C14 C19 178.7(3) . . . . ?
C19 C14 C15 N1 -178.1(2) . . . . ?
C13 C14 C15 N1 2.0(4) . . . . ?
C19 C14 C15 C16 2.7(4) . . . . ?
C13 C14 C15 C16 -177.2(2) . . . . ?
Pt1 O1 C16 C17 -176.6(2) . . . . ?
Pt1 O1 C16 C15 2.7(3) . . . . ?
N1 C15 C16 O1 -0.8(3) . . . . ?
C14 C15 C16 O1 178.5(2) . . . . ?
N1 C15 C16 C17 178.5(2) . . . . ?
C14 C15 C16 C17 -2.2(4) . . . . ?
O1 C16 C17 C18 -179.9(2) . . . . ?
C15 C16 C17 C18 0.8(4) . . . . ?
C16 C17 C18 C19 0.0(4) . . . . ?
C17 C18 C19 C14 0.5(4) . . . . ?
C17 C18 C19 S5 -179.8(2) . . . . ?
C15 C14 C19 C18 -1.7(4) . . . . ?
C13 C14 C19 C18 178.1(3) . . . . ?
C15 C14 C19 S5 178.52(19) . . . . ?
C13 C14 C19 S5 -1.6(4) . . . . ?
C12 C11 N1 C15 -0.5(4) . . . . ?
C12 C11 N1 Pt1 179.2(2) . . . . ?
C14 C15 N1 C11 -1.1(4) . . . . ?
C16 C15 N1 C11 178.2(2) . . . . ?
C14 C15 N1 Pt1 179.17(19) . . . . ?
C16 C15 N1 Pt1 -1.6(3) . . . . ?
Cl2 C20 C21 Cl3 58.6(3) . . . . ?
Cl1 C20 C21 Cl3 -66.0(3) . . . . ?
C6 C1 S1 C2 179.9(2) . . . . ?
S2 C1 S1 C2 -0.51(17) . . . . ?
C3 C2 S1 C1 0.6(2) . . . . ?
C4 C2 S1 C1 -177.9(2) . . . . ?
C6 C1 S2 C3 179.9(2) . . . . ?
S1 C1 S2 C3 0.31(17) . . . . ?
C2 C3 S2 C1 0.1(2) . . . . ?
C5 C3 S2 C1 177.7(2) . . . . ?
C1 C6 S3 C7 174.2(2) . . . . ?
S4 C6 S3 C7 -2.39(17) . . . . ?
C8 C7 S3 C6 3.0(2) . . . . ?
C9 C7 S3 C6 -175.3(2) . . . . ?
C1 C6 S4 C8 -175.4(2) . . . . ?
S3 C6 S4 C8 1.30(17) . . . . ?
C7 C8 S4 C6 0.8(2) . . . . ?
C10 C8 S4 C6 -179.6(2) . . . . ?
C18 C19 S5 O2 3.5(3) . . . . ?
C14 C19 S5 O2 -176.8(2) . . . . ?
C18 C19 S5 O4 123.7(2) . . . . ?
C14 C19 S5 O4 -56.6(2) . . . . ?
C18 C19 S5 O3 -116.9(2) . . . . ?
C14 C19 S5 O3 62.8(2) . . . . ?
