#------------------------------------------------------------------------------
#$Date: 2022-06-10 01:37:35 +0300 (Fri, 10 Jun 2022) $
#$Revision: 275945 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/50/7245046.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_7245046
loop_
_publ_author_name
'Julve, Miguel'
'El Alouani Dahmouni, Nadia'
'Switlicka, Anna'
'Machura, B.'
'Moliner, Fernando Nicolás'
'Rabelo, Renato'
'Ruiz-Garcia, Rafael'
'Stiriba, Salah-Eddine'
'Cano, Joan'
_publ_section_title
;
 Bulky countercation effects on the crystal packing of anionic
 dithiooxalato-containing Ni(II), Pd(II) and Pt(II) complexes:
 spectroscopic-redox correlations
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D2CE00489E
_journal_year                    2022
_chemical_formula_moiety         'C52 H40 As2 O4 Pt S4'
_chemical_formula_sum            'C52 H40 As2 O4 Pt S4'
_chemical_formula_weight         1202.01
_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-2014/6
_audit_update_record
;
2022-03-28 deposited with the CCDC.	2022-06-08 downloaded from the CCDC.
;
_cell_angle_alpha                110.997(10)
_cell_angle_beta                 89.980(11)
_cell_angle_gamma                106.566(10)
_cell_formula_units_Z            2
_cell_length_a                   10.939(3)
_cell_length_b                   13.206(3)
_cell_length_c                   18.371(5)
_cell_measurement_reflns_used    105836
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      31.5
_cell_measurement_theta_min      2.27
_cell_volume                     2359.4(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics
'Mercury (Macrae, J.Appl.Cryst. 41 (2008) 466-470'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/6 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0332
_diffrn_reflns_av_unetI/netI     0.0164
_diffrn_reflns_Laue_measured_fraction_full 0.976
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            71968
_diffrn_reflns_point_group_measured_fraction_full 0.976
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.048
_diffrn_reflns_theta_min         2.274
_exptl_absorpt_coefficient_mu    4.588
_exptl_absorpt_correction_T_max  0.7462
_exptl_absorpt_correction_T_min  0.6362
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Blessing, Acta Cryst. A51 (1995) 33-38'
_exptl_crystal_colour            'orange brown'
_exptl_crystal_density_diffrn    1.692
_exptl_crystal_description       plate
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.328
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.050
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.921
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     568
_refine_ls_number_reflns         8333
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.921
_refine_ls_R_factor_all          0.0158
_refine_ls_R_factor_gt           0.0137
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0312P)²+0.4464P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0399
_refine_ls_wR_factor_ref         0.0409
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7849
_reflns_number_total             8333
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2ce00489e2.cif
_cod_data_source_block           PtAs
_cod_database_code               7245046
_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.
;
_shelxl_version_number           2014/6
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 0.46511(2) 0.60337(2) 0.26001(2) 0.01887(3) Uani 1 1 d . . . . .
S1 S 0.28436(5) 0.55582(5) 0.17621(3) 0.02921(12) Uani 1 1 d . . . . .
S2 S 0.37933(5) 0.43783(4) 0.28217(3) 0.02507(11) Uani 1 1 d . . . . .
S3 S 0.55320(5) 0.76118(5) 0.22983(3) 0.03035(12) Uani 1 1 d . . . . .
S4 S 0.64766(5) 0.65178(5) 0.34284(3) 0.02897(12) Uani 1 1 d . . . . .
O1 O 0.11694(17) 0.35612(13) 0.10758(9) 0.0436(4) Uani 1 1 d . . . . .
O2 O 0.20618(15) 0.25351(12) 0.18951(9) 0.0339(4) Uani 1 1 d . . . . .
O3 O 0.76925(16) 0.92290(13) 0.28779(11) 0.0425(4) Uani 1 1 d . . . . .
O4 O 0.85049(14) 0.83007(13) 0.37984(8) 0.0333(4) Uani 1 1 d . . . . .
C1 C 0.2090(2) 0.41272(18) 0.15615(11) 0.0264(5) Uani 1 1 d . . . . .
C2 C 0.2582(2) 0.35443(17) 0.20520(11) 0.0240(4) Uani 1 1 d . . . . .
C3 C 0.6988(2) 0.83337(18) 0.28850(12) 0.0277(5) Uani 1 1 d . . . . .
C4 C 0.7455(2) 0.78041(18) 0.34175(11) 0.0256(4) Uani 1 1 d . . . . .
As1 As -0.26213(2) 0.11696(2) -0.05925(2) 0.01728(5) Uani 1 1 d . . . . .
C5 C -0.12163(18) 0.18239(17) -0.10694(11) 0.0202(4) Uani 1 1 d . . . . .
C6 C -0.0281(2) 0.28142(18) -0.05994(12) 0.0264(4) Uani 1 1 d . . . . .
H6 H -0.0351 0.3165 -0.0057 0.032 Uiso 1 1 calc R U . . .
C7 C 0.0758(2) 0.32824(19) -0.09342(13) 0.0321(5) Uani 1 1 d . . . . .
H7 H 0.1408 0.3956 -0.0619 0.039 Uiso 1 1 calc R U . . .
C8 C 0.0850(2) 0.27733(19) -0.17235(13) 0.0315(5) Uani 1 1 d . . . . .
H8 H 0.1566 0.3099 -0.1947 0.038 Uiso 1 1 calc R U . . .
C9 C -0.0091(2) 0.17914(19) -0.21933(12) 0.0283(5) Uani 1 1 d . . . . .
H9 H -0.0023 0.1450 -0.2737 0.034 Uiso 1 1 calc R U . . .
C10 C -0.1133(2) 0.13103(18) -0.18661(11) 0.0238(4) Uani 1 1 d . . . . .
H10 H -0.1782 0.0637 -0.2183 0.029 Uiso 1 1 calc R U . . .
C11 C -0.1010(2) 0.10165(17) 0.05630(11) 0.0245(4) Uani 1 1 d . . . . .
H11 H -0.0512 0.1761 0.0612 0.029 Uiso 1 1 calc R U . . .
C12 C -0.0656(2) 0.04879(19) 0.10250(12) 0.0293(5) Uani 1 1 d . . . . .
H12 H 0.0082 0.0880 0.1400 0.035 Uiso 1 1 calc R U . . .
C13 C -0.1369(2) -0.06013(19) 0.09432(12) 0.0302(5) Uani 1 1 d . . . . .
H13 H -0.1119 -0.0954 0.1262 0.036 Uiso 1 1 calc R U . . .
C14 C -0.2447(2) -0.11822(19) 0.03978(13) 0.0308(5) Uani 1 1 d . . . . .
H14 H -0.2925 -0.1938 0.0335 0.037 Uiso 1 1 calc R U . . .
C15 C -0.2828(2) -0.06593(18) -0.00559(12) 0.0265(4) Uani 1 1 d . . . . .
H15 H -0.3577 -0.1048 -0.0423 0.032 Uiso 1 1 calc R U . . .
C16 C -0.21078(19) 0.04325(16) 0.00290(11) 0.0204(4) Uani 1 1 d . . . . .
C17 C -0.39780(18) 0.00975(16) -0.13857(10) 0.0194(4) Uani 1 1 d . . . . .
C18 C -0.3840(2) -0.09469(17) -0.18684(11) 0.0238(4) Uani 1 1 d . . . . .
H18 H -0.3084 -0.1136 -0.1799 0.029 Uiso 1 1 calc R U . . .
C19 C -0.4821(2) -0.16982(18) -0.24481(12) 0.0294(5) Uani 1 1 d . . . . .
H19 H -0.4742 -0.2412 -0.2781 0.035 Uiso 1 1 calc R U . . .
C20 C -0.5922(2) -0.14179(18) -0.25474(12) 0.0315(5) Uani 1 1 d . . . . .
H20 H -0.6594 -0.1943 -0.2946 0.038 Uiso 1 1 calc R U . . .
C21 C -0.6049(2) -0.03786(19) -0.20706(13) 0.0313(5) Uani 1 1 d . . . . .
H21 H -0.6803 -0.0189 -0.2145 0.038 Uiso 1 1 calc R U . . .
C22 C -0.5075(2) 0.03835(17) -0.14853(11) 0.0241(4) Uani 1 1 d . . . . .
H22 H -0.5157 0.1097 -0.1155 0.029 Uiso 1 1 calc R U . . .
C23 C -0.32306(18) 0.23877(16) 0.00390(10) 0.0198(4) Uani 1 1 d . . . . .
C24 C -0.3289(2) 0.32022(17) -0.02606(11) 0.0257(4) Uani 1 1 d . . . . .
H24 H -0.2983 0.3171 -0.0750 0.031 Uiso 1 1 calc R U . . .
C25 C -0.3796(2) 0.40603(18) 0.01583(13) 0.0304(5) Uani 1 1 d . . . . .
H25 H -0.3844 0.4618 -0.0045 0.036 Uiso 1 1 calc R U . . .
C26 C -0.4231(2) 0.41051(19) 0.08720(13) 0.0324(5) Uani 1 1 d . . . . .
H26 H -0.4575 0.4696 0.1160 0.039 Uiso 1 1 calc R U . . .
C27 C -0.4169(2) 0.32927(18) 0.11706(12) 0.0294(5) Uani 1 1 d . . . . .
H27 H -0.4468 0.3332 0.1663 0.035 Uiso 1 1 calc R U . . .
C28 C -0.36721(19) 0.24216(17) 0.07554(11) 0.0236(4) Uani 1 1 d . . . . .
H28 H -0.3634 0.1860 0.0956 0.028 Uiso 1 1 calc R U . . .
As2 As 0.87035(2) 1.27881(2) 0.54632(2) 0.01748(5) Uani 1 1 d . . . . .
C29 C 0.79489(19) 1.15069(17) 0.57481(11) 0.0214(4) Uani 1 1 d . . . . .
C30 C 0.8158(2) 1.04712(18) 0.53438(12) 0.0298(5) Uani 1 1 d . . . . .
H30 H 0.8716 1.0403 0.4944 0.036 Uiso 1 1 calc R U . . .
C31 C 0.7543(3) 0.95401(19) 0.55302(13) 0.0379(6) Uani 1 1 d . . . . .
H31 H 0.7682 0.8827 0.5260 0.046 Uiso 1 1 calc R U . . .
C32 C 0.6729(2) 0.96450(19) 0.61079(13) 0.0353(5) Uani 1 1 d . . . . .
H32 H 0.6297 0.8998 0.6226 0.042 Uiso 1 1 calc R U . . .
C33 C 0.6536(2) 1.0680(2) 0.65157(13) 0.0322(5) Uani 1 1 d . . . . .
H33 H 0.5978 1.0742 0.6915 0.039 Uiso 1 1 calc R U . . .
C34 C 0.7151(2) 1.16295(18) 0.63461(12) 0.0264(4) Uani 1 1 d . . . . .
H34 H 0.7031 1.2347 0.6630 0.032 Uiso 1 1 calc R U . . .
C35 C 0.74289(18) 1.31835(16) 0.49930(10) 0.0190(4) Uani 1 1 d . . . . .
C36 C 0.62099(19) 1.30529(18) 0.52383(12) 0.0260(4) Uani 1 1 d . . . . .
H36 H 0.5968 1.2712 0.5614 0.031 Uiso 1 1 calc R U . . .
C37 C 0.5355(2) 1.3428(2) 0.49263(12) 0.0316(5) Uani 1 1 d . . . . .
H37 H 0.4522 1.3348 0.5092 0.038 Uiso 1 1 calc R U . . .
C38 C 0.5700(2) 1.39181(17) 0.43772(11) 0.0258(4) Uani 1 1 d . . . . .
H38 H 0.5104 1.4170 0.4166 0.031 Uiso 1 1 calc R U . . .
C39 C 0.6913(2) 1.40428(17) 0.41345(11) 0.0246(4) Uani 1 1 d . . . . .
H39 H 0.7151 1.4380 0.3757 0.030 Uiso 1 1 calc R U . . .
C40 C 0.77804(19) 1.36742(17) 0.44444(11) 0.0229(4) Uani 1 1 d . . . . .
H40 H 0.8615 1.3759 0.4280 0.027 Uiso 1 1 calc R U . . .
C41 C 0.95728(18) 1.41083(16) 0.63613(10) 0.0192(4) Uani 1 1 d . . . . .
C42 C 0.93625(19) 1.51391(17) 0.64826(11) 0.0231(4) Uani 1 1 d . . . . .
H42 H 0.8758 1.5187 0.6135 0.028 Uiso 1 1 calc R U . . .
C43 C 1.0042(2) 1.61000(17) 0.71159(12) 0.0271(5) Uani 1 1 d . . . . .
H43 H 0.9909 1.6812 0.7202 0.033 Uiso 1 1 calc R U . . .
C44 C 1.0914(2) 1.60205(18) 0.76211(12) 0.0304(5) Uani 1 1 d . . . . .
H44 H 1.1380 1.6681 0.8054 0.037 Uiso 1 1 calc R U . . .
C45 C 1.1113(2) 1.49896(19) 0.75018(13) 0.0370(6) Uani 1 1 d . . . . .
H45 H 1.1711 1.4942 0.7854 0.044 Uiso 1 1 calc R U . . .
C46 C 1.0441(2) 1.40204(18) 0.68680(13) 0.0309(5) Uani 1 1 d . . . . .
H46 H 1.0574 1.3308 0.6783 0.037 Uiso 1 1 calc R U . . .
C47 C 0.98605(18) 1.24695(16) 0.46960(11) 0.0202(4) Uani 1 1 d . . . . .
C48 C 1.11217(19) 1.31781(17) 0.48403(12) 0.0244(4) Uani 1 1 d . . . . .
H48 H 1.1437 1.3770 0.5339 0.029 Uiso 1 1 calc R U . . .
C49 C 1.1911(2) 1.30082(19) 0.42465(13) 0.0284(5) Uani 1 1 d . . . . .
H49 H 1.2766 1.3502 0.4333 0.034 Uiso 1 1 calc R U . . .
C50 C 1.1463(2) 1.2124(2) 0.35303(13) 0.0317(5) Uani 1 1 d . . . . .
H50 H 1.2013 1.2009 0.3128 0.038 Uiso 1 1 calc R U . . .
C51 C 1.0214(2) 1.14048(19) 0.33944(12) 0.0297(5) Uani 1 1 d . . . . .
H51 H 0.9916 1.0789 0.2904 0.036 Uiso 1 1 calc R U . . .
C52 C 0.9399(2) 1.15834(17) 0.39741(11) 0.0260(4) Uani 1 1 d . . . . .
H52 H 0.8535 1.1106 0.3879 0.031 Uiso 1 1 calc R U . . .
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'
As As 0.0499 2.0058 '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'
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
_geom_angle_publ_flag
S3 Pt1 S1 89.87(2) . . ?
S3 Pt1 S4 89.55(2) . . ?
S1 Pt1 S4 179.276(18) . . ?
S3 Pt1 S2 176.184(19) . . ?
S1 Pt1 S2 89.06(2) . . ?
S4 Pt1 S2 91.49(2) . . ?
C1 S1 Pt1 105.25(7) . . ?
C2 S2 Pt1 104.60(7) . . ?
C3 S3 Pt1 106.05(8) . . ?
C4 S4 Pt1 106.11(8) . . ?
O1 C1 C2 117.91(19) . . ?
O1 C1 S1 123.34(17) . . ?
C2 C1 S1 118.70(15) . . ?
O2 C2 C1 118.06(18) . . ?
O2 C2 S2 123.27(16) . . ?
C1 C2 S2 118.60(15) . . ?
O3 C3 C4 117.84(19) . . ?
O3 C3 S3 122.76(18) . . ?
C4 C3 S3 119.35(15) . . ?
O4 C4 C3 118.24(19) . . ?
O4 C4 S4 122.99(17) . . ?
C3 C4 S4 118.75(15) . . ?
C23 As1 C17 108.17(8) . . ?
C23 As1 C5 106.60(8) . . ?
C17 As1 C5 109.73(8) . . ?
C23 As1 C16 110.99(8) . . ?
C17 As1 C16 109.68(8) . . ?
C5 As1 C16 111.57(8) . . ?
C6 C5 C10 121.08(18) . . ?
C6 C5 As1 118.40(14) . . ?
C10 C5 As1 120.51(15) . . ?
C7 C6 C5 118.96(19) . . ?
C7 C6 H6 120.5 . . ?
C5 C6 H6 120.5 . . ?
C8 C7 C6 120.2(2) . . ?
C8 C7 H7 119.9 . . ?
C6 C7 H7 119.9 . . ?
C7 C8 C9 120.7(2) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C10 C9 C8 119.71(19) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C5 119.28(19) . . ?
C9 C10 H10 120.4 . . ?
C5 C10 H10 120.4 . . ?
C16 C11 C12 118.56(19) . . ?
C16 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
C13 C12 C11 120.6(2) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C14 120.21(19) . . ?
C12 C13 H13 119.9 . . ?
C14 C13 H13 119.9 . . ?
C13 C14 C15 119.9(2) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 119.55(19) . . ?
C16 C15 H15 120.2 . . ?
C14 C15 H15 120.2 . . ?
C15 C16 C11 121.14(18) . . ?
C15 C16 As1 120.11(15) . . ?
C11 C16 As1 118.75(15) . . ?
C22 C17 C18 121.00(18) . . ?
C22 C17 As1 119.18(14) . . ?
C18 C17 As1 119.80(15) . . ?
C19 C18 C17 118.78(19) . . ?
C19 C18 H18 120.6 . . ?
C17 C18 H18 120.6 . . ?
C18 C19 C20 120.41(19) . . ?
C18 C19 H19 119.8 . . ?
C20 C19 H19 119.8 . . ?
C21 C20 C19 120.5(2) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 119.8(2) . . ?
C20 C21 H21 120.1 . . ?
C22 C21 H21 120.1 . . ?
C21 C22 C17 119.50(19) . . ?
C21 C22 H22 120.2 . . ?
C17 C22 H22 120.2 . . ?
C24 C23 C28 120.99(18) . . ?
C24 C23 As1 117.82(14) . . ?
C28 C23 As1 121.08(15) . . ?
C25 C24 C23 119.57(19) . . ?
C25 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C26 C25 C24 119.9(2) . . ?
C26 C25 H25 120.0 . . ?
C24 C25 H25 120.0 . . ?
C25 C26 C27 120.40(19) . . ?
C25 C26 H26 119.8 . . ?
C27 C26 H26 119.8 . . ?
C26 C27 C28 120.42(19) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C27 C28 C23 118.70(19) . . ?
C27 C28 H28 120.6 . . ?
C23 C28 H28 120.6 . . ?
C47 As2 C29 111.44(8) . . ?
C47 As2 C41 109.87(8) . . ?
C29 As2 C41 111.30(8) . . ?
C47 As2 C35 105.62(8) . . ?
C29 As2 C35 111.63(9) . . ?
C41 As2 C35 106.72(8) . . ?
C30 C29 C34 121.30(19) . . ?
C30 C29 As2 120.14(15) . . ?
C34 C29 As2 118.51(15) . . ?
C31 C30 C29 119.1(2) . . ?
C31 C30 H30 120.5 . . ?
C29 C30 H30 120.5 . . ?
C32 C31 C30 120.1(2) . . ?
C32 C31 H31 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C32 C33 120.7(2) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C34 120.4(2) . . ?
C32 C33 H33 119.8 . . ?
C34 C33 H33 119.8 . . ?
C33 C34 C29 118.42(19) . . ?
C33 C34 H34 120.8 . . ?
C29 C34 H34 120.8 . . ?
C40 C35 C36 120.65(18) . . ?
C40 C35 As2 118.36(14) . . ?
C36 C35 As2 120.84(14) . . ?
C37 C36 C35 118.87(19) . . ?
C37 C36 H36 120.6 . . ?
C35 C36 H36 120.6 . . ?
C38 C37 C36 120.8(2) . . ?
C38 C37 H37 119.6 . . ?
C36 C37 H37 119.6 . . ?
C37 C38 C39 120.05(19) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C38 C39 C40 119.79(19) . . ?
C38 C39 H39 120.1 . . ?
C40 C39 H39 120.1 . . ?
C35 C40 C39 119.87(19) . . ?
C35 C40 H40 120.1 . . ?
C39 C40 H40 120.1 . . ?
C42 C41 C46 121.04(18) . . ?
C42 C41 As2 119.98(14) . . ?
C46 C41 As2 118.95(15) . . ?
C41 C42 C43 119.38(19) . . ?
C41 C42 H42 120.3 . . ?
C43 C42 H42 120.3 . . ?
C44 C43 C42 119.92(19) . . ?
C44 C43 H43 120.0 . . ?
C42 C43 H43 120.0 . . ?
C45 C44 C43 120.5(2) . . ?
C45 C44 H44 119.7 . . ?
C43 C44 H44 119.7 . . ?
C44 C45 C46 120.1(2) . . ?
C44 C45 H45 119.9 . . ?
C46 C45 H45 119.9 . . ?
C41 C46 C45 119.0(2) . . ?
C41 C46 H46 120.5 . . ?
C45 C46 H46 120.5 . . ?
C52 C47 C48 120.88(18) . . ?
C52 C47 As2 119.15(15) . . ?
C48 C47 As2 119.77(15) . . ?
C49 C48 C47 119.07(19) . . ?
C49 C48 H48 120.5 . . ?
C47 C48 H48 120.5 . . ?
C50 C49 C48 120.3(2) . . ?
C50 C49 H49 119.8 . . ?
C48 C49 H49 119.8 . . ?
C49 C50 C51 120.4(2) . . ?
C49 C50 H50 119.8 . . ?
C51 C50 H50 119.8 . . ?
C50 C51 C52 120.0(2) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C51 C52 C47 119.3(2) . . ?
C51 C52 H52 120.4 . . ?
C47 C52 H52 120.4 . . ?
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 S3 2.2939(7) . ?
Pt1 S1 2.2967(8) . ?
Pt1 S4 2.2997(8) . ?
Pt1 S2 2.3007(7) . ?
S1 C1 1.732(2) . ?
S2 C2 1.738(2) . ?
S3 C3 1.733(2) . ?
S4 C4 1.737(2) . ?
O1 C1 1.209(3) . ?
O2 C2 1.215(2) . ?
O3 C3 1.218(3) . ?
O4 C4 1.217(3) . ?
C1 C2 1.558(3) . ?
C3 C4 1.550(3) . ?
As1 C23 1.9109(19) . ?
As1 C17 1.9119(19) . ?
As1 C5 1.9133(19) . ?
As1 C16 1.9171(19) . ?
C5 C6 1.390(3) . ?
C5 C10 1.391(3) . ?
C6 C7 1.386(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.380(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.387(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.387(3) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C16 1.389(3) . ?
C11 C12 1.391(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.380(3) . ?
C12 H12 0.9500 . ?
C13 C14 1.385(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.386(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.384(3) . ?
C15 H15 0.9500 . ?
C17 C22 1.387(3) . ?
C17 C18 1.398(3) . ?
C18 C19 1.381(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.387(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.385(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.385(3) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.388(3) . ?
C23 C28 1.392(3) . ?
C24 C25 1.384(3) . ?
C24 H24 0.9500 . ?
C25 C26 1.382(3) . ?
C25 H25 0.9500 . ?
C26 C27 1.386(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.388(3) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
As2 C47 1.9085(19) . ?
As2 C29 1.912(2) . ?
As2 C41 1.9132(19) . ?
As2 C35 1.9240(19) . ?
C29 C30 1.387(3) . ?
C29 C34 1.396(3) . ?
C30 C31 1.383(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.379(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.380(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.386(3) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C40 1.382(3) . ?
C35 C36 1.391(3) . ?
C36 C37 1.384(3) . ?
C36 H36 0.9500 . ?
C37 C38 1.381(3) . ?
C37 H37 0.9500 . ?
C38 C39 1.383(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.387(3) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C42 1.385(3) . ?
C41 C46 1.387(3) . ?
C42 C43 1.386(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.381(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.380(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.389(3) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C52 1.391(3) . ?
C47 C48 1.391(3) . ?
C48 C49 1.386(3) . ?
C48 H48 0.9500 . ?
C49 C50 1.381(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.386(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.387(3) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
