#------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/51/68/1516821.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_1516821
loop_
_publ_author_name
'Subhi A. Al-Jibori'
'Mohamed H.S. Al-Jibori'
'Graeme Hogarth'
_publ_section_title
;
 Thiosaccharinate binding to palladium(II) and platinum(II): Synthesis and
 molecular structures of sulfur-bound complexes
 [M(?1-tsac)2(?2-diphosphane)]
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              117
_journal_page_last               123
_journal_volume                  398
_journal_year                    2013
_chemical_formula_sum            'C41.25 H41 Cl1.5 N2 O7 P2 Pt S4'
_chemical_formula_weight         1115.21
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     heavy
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 105.325(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   29.031(5)
_cell_length_b                   20.477(4)
_cell_length_c                   15.281(3)
_cell_measurement_temperature    293(2)
_cell_volume                     8761(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.956
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0321
_diffrn_reflns_av_sigmaI/netI    0.0518
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            20889
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.99
_exptl_absorpt_coefficient_mu    3.610
_exptl_absorpt_correction_T_max  0.4907
_exptl_absorpt_correction_T_min  0.3565
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.691
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             4448
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.23
_refine_diff_density_max         1.896
_refine_diff_density_min         -2.736
_refine_diff_density_rms         0.177
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         9588
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.042
_refine_ls_R_factor_all          0.0588
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0728P)²+12.6539P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1110
_refine_ls_wR_factor_ref         0.1196
_reflns_number_gt                7705
_reflns_number_total             9588
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ICA-2013-398-117-123-2.cif
_cod_data_source_block           str0785
_cod_original_sg_symbol_H-M      C2/c
_cod_original_formula_sum        'C41.25 H41 Cl1.50 N2 O7 P2 Pt S4'
_cod_database_code               1516821
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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
Pt1 Pt 0.352094(6) 0.569935(9) 0.784398(13) 0.01418(8) Uani 1 1 d .
S1 S 0.33813(4) 0.63144(6) 0.65126(9) 0.0188(3) Uani 1 1 d .
S2 S 0.43354(4) 0.59934(6) 0.80832(9) 0.0164(3) Uani 1 1 d .
S3 S 0.19586(5) 0.60088(7) 0.52934(10) 0.0247(3) Uani 1 1 d .
S4 S 0.41086(5) 0.78633(6) 0.88321(10) 0.0239(3) Uani 1 1 d .
P1 P 0.28035(4) 0.52804(6) 0.78666(9) 0.0183(3) Uani 1 1 d .
P2 P 0.36524(4) 0.50757(6) 0.90931(9) 0.0174(3) Uani 1 1 d .
N1 N 0.24631(14) 0.5951(2) 0.6103(3) 0.0189(9) Uani 1 1 d .
N2 N 0.39613(14) 0.7117(2) 0.8467(3) 0.0200(9) Uani 1 1 d .
O1 O 0.18210(16) 0.5381(2) 0.4911(3) 0.0413(11) Uani 1 1 d .
O2 O 0.16143(13) 0.6367(2) 0.5623(3) 0.0402(11) Uani 1 1 d .
O3 O 0.40092(15) 0.7949(2) 0.9693(3) 0.0363(10) Uani 1 1 d .
O4 O 0.38961(14) 0.83236(19) 0.8136(3) 0.0359(10) Uani 1 1 d .
C1 C 0.28047(17) 0.6273(2) 0.5883(3) 0.0148(10) Uani 1 1 d .
C2 C 0.43444(16) 0.6795(2) 0.8408(3) 0.0142(10) Uani 1 1 d .
C3 C 0.30248(17) 0.4854(3) 0.8963(4) 0.0237(12) Uani 1 1 d .
H3B H 0.2897 0.5034 0.9438 0.028 Uiso 1 1 calc R
H3A H 0.2971 0.4386 0.8915 0.028 Uiso 1 1 calc R
C4 C 0.26620(17) 0.6615(2) 0.4983(3) 0.0149(10) Uani 1 1 d .
C5 C 0.21926(17) 0.6484(2) 0.4554(3) 0.0189(11) Uani 1 1 d .
C6 C 0.1970(2) 0.6722(3) 0.3697(4) 0.0248(12) Uani 1 1 d .
H6A H 0.1653 0.6627 0.3415 0.030 Uiso 1 1 calc R
C7 C 0.2243(2) 0.7108(3) 0.3280(4) 0.0299(14) Uani 1 1 d .
H7A H 0.2108 0.7272 0.2701 0.036 Uiso 1 1 calc R
C8 C 0.2715(2) 0.7254(3) 0.3721(4) 0.0249(12) Uani 1 1 d .
H8A H 0.2890 0.7521 0.3436 0.030 Uiso 1 1 calc R
C9 C 0.29282(19) 0.7007(2) 0.4576(3) 0.0197(11) Uani 1 1 d .
H9A H 0.3244 0.7105 0.4867 0.024 Uiso 1 1 calc R
C10 C 0.48021(16) 0.7166(2) 0.8650(3) 0.0144(10) Uani 1 1 d .
C11 C 0.47261(18) 0.7787(2) 0.8933(4) 0.0203(11) Uani 1 1 d .
C12 C 0.5086(2) 0.8233(3) 0.9204(4) 0.0330(14) Uani 1 1 d .
H12A H 0.5027 0.8651 0.9387 0.040 Uiso 1 1 calc R
C13 C 0.5540(2) 0.8039(3) 0.9194(4) 0.0340(15) Uani 1 1 d .
H13A H 0.5794 0.8328 0.9385 0.041 Uiso 1 1 calc R
C14 C 0.56200(19) 0.7421(3) 0.8903(4) 0.0294(13) Uani 1 1 d .
H14A H 0.5928 0.7305 0.8890 0.035 Uiso 1 1 calc R
C15 C 0.52526(17) 0.6966(3) 0.8628(4) 0.0194(11) Uani 1 1 d .
H15A H 0.5309 0.6549 0.8439 0.023 Uiso 1 1 calc R
C16 C 0.25842(18) 0.4638(2) 0.7059(4) 0.0237(12) Uani 1 1 d .
C17 C 0.2917(2) 0.4298(3) 0.6751(5) 0.0391(17) Uani 1 1 d .
H17A H 0.3238 0.4412 0.6954 0.047 Uiso 1 1 calc R
C18 C 0.2783(3) 0.3785(4) 0.6140(6) 0.056(2) Uani 1 1 d .
H18A H 0.3011 0.3559 0.5932 0.067 Uiso 1 1 calc R
C19 C 0.2313(2) 0.3617(3) 0.5852(5) 0.0438(18) Uani 1 1 d .
H19A H 0.2221 0.3268 0.5455 0.053 Uiso 1 1 calc R
C20 C 0.1978(2) 0.3956(3) 0.6138(5) 0.0457(19) Uani 1 1 d .
H20A H 0.1657 0.3847 0.5918 0.055 Uiso 1 1 calc R
C21 C 0.2109(2) 0.4465(3) 0.6753(5) 0.0369(16) Uani 1 1 d .
H21A H 0.1879 0.4687 0.6959 0.044 Uiso 1 1 calc R
C22 C 0.2348(2) 0.5811(3) 0.8071(4) 0.0257(12) Uani 1 1 d .
C23 C 0.1961(2) 0.5563(3) 0.8353(5) 0.0409(17) Uani 1 1 d .
H23A H 0.1923 0.5114 0.8399 0.049 Uiso 1 1 calc R
C24 C 0.1639(3) 0.5986(5) 0.8560(6) 0.060(2) Uani 1 1 d .
H24A H 0.1380 0.5824 0.8743 0.072 Uiso 1 1 calc R
C25 C 0.1698(3) 0.6658(4) 0.8498(5) 0.054(2) Uani 1 1 d .
H25A H 0.1474 0.6943 0.8625 0.064 Uiso 1 1 calc R
C26 C 0.2082(3) 0.6899(3) 0.8250(5) 0.0484(19) Uani 1 1 d .
H26A H 0.2125 0.7348 0.8227 0.058 Uiso 1 1 calc R
C27 C 0.2405(2) 0.6486(3) 0.8037(4) 0.0303(13) Uani 1 1 d .
H27A H 0.2666 0.6656 0.7867 0.036 Uiso 1 1 calc R
C28 C 0.40051(19) 0.4345(2) 0.9097(4) 0.0212(12) Uani 1 1 d .
C29 C 0.4498(2) 0.4401(3) 0.9346(4) 0.0262(13) Uani 1 1 d .
H29A H 0.4638 0.4808 0.9509 0.031 Uiso 1 1 calc R
C30 C 0.4784(2) 0.3866(3) 0.9356(4) 0.0335(14) Uani 1 1 d .
H30A H 0.5115 0.3908 0.9530 0.040 Uiso 1 1 calc R
C31 C 0.4576(2) 0.3265(3) 0.9105(4) 0.0374(15) Uani 1 1 d .
H31A H 0.4766 0.2898 0.9116 0.045 Uiso 1 1 calc R
C32 C 0.4086(2) 0.3210(3) 0.8837(4) 0.0345(14) Uani 1 1 d .
H32A H 0.3947 0.2806 0.8655 0.041 Uiso 1 1 calc R
C33 C 0.3801(2) 0.3741(3) 0.8834(4) 0.0280(13) Uani 1 1 d .
H33A H 0.3471 0.3698 0.8654 0.034 Uiso 1 1 calc R
C34 C 0.38949(18) 0.5488(3) 1.0159(4) 0.0214(11) Uani 1 1 d .
C35 C 0.4112(2) 0.5154(3) 1.0957(4) 0.0291(13) Uani 1 1 d .
H35A H 0.4127 0.4701 1.0957 0.035 Uiso 1 1 calc R
C36 C 0.4304(2) 0.5494(3) 1.1744(4) 0.0393(16) Uani 1 1 d .
H36A H 0.4458 0.5274 1.2273 0.047 Uiso 1 1 calc R
C37 C 0.4266(2) 0.6164(4) 1.1744(4) 0.0416(16) Uani 1 1 d .
H37A H 0.4391 0.6394 1.2279 0.050 Uiso 1 1 calc R
C38 C 0.4045(2) 0.6497(3) 1.0968(5) 0.0381(15) Uani 1 1 d .
H38A H 0.4019 0.6950 1.0980 0.046 Uiso 1 1 calc R
C39 C 0.38625(19) 0.6161(3) 1.0170(4) 0.0271(12) Uani 1 1 d .
H39A H 0.3718 0.6387 0.9641 0.033 Uiso 1 1 calc R
C40 C 0.5000 0.8580(15) 1.2500 0.088(9) Uiso 0.50 2 d SP
Cl1 Cl 0.4669(6) 0.8616(9) 1.3073(13) 0.299(8) Uiso 0.50 1 d P
Cl2 Cl 0.4615(2) 0.8010(3) 1.1937(5) 0.114(2) Uiso 0.50 1 d P
Cl3 Cl 0.46757(16) 0.8325(2) 1.1452(3) 0.0649(11) Uiso 0.50 1 d P
O10 O 0.4301(3) 0.8598(3) 1.3358(5) 0.089(2) Uiso 1 1 d .
O11 O 0.4579(3) 1.0052(4) 1.1927(6) 0.112(3) Uiso 1 1 d .
C41 C 0.4228(4) 1.0494(5) 1.2114(8) 0.086(3) Uiso 1 1 d .
O12 O 0.5773(6) 1.0145(8) 1.0373(11) 0.250(7) Uiso 1 1 d .
C42 C 0.5396(3) 0.9850(4) 0.9770(6) 0.063(2) Uiso 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 0.0000 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'
P P 0.1023 0.0942 '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'
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
P2 Pt1 P1 73.82(5) . .
P2 Pt1 S1 177.95(5) . .
P1 Pt1 S1 105.63(5) . .
P2 Pt1 S2 94.29(4) . .
P1 Pt1 S2 168.04(5) . .
S1 Pt1 S2 86.21(4) . .
C1 S1 Pt1 112.65(17) . .
C2 S2 Pt1 103.06(16) . .
O1 S3 O2 117.3(3) . .
O1 S3 N1 109.8(2) . .
O2 S3 N1 109.6(3) . .
O1 S3 C5 110.5(3) . .
O2 S3 C5 111.5(3) . .
N1 S3 C5 96.0(2) . .
O3 S4 O4 116.7(3) . .
O3 S4 N2 109.2(3) . .
O4 S4 N2 109.7(2) . .
O3 S4 C11 112.2(3) . .
O4 S4 C11 110.5(3) . .
N2 S4 C11 96.6(2) . .
C16 P1 C22 114.6(3) . .
C16 P1 C3 104.6(2) . .
C22 P1 C3 102.9(3) . .
C16 P1 Pt1 115.27(19) . .
C22 P1 Pt1 119.72(19) . .
C3 P1 Pt1 95.30(16) . .
C34 P2 C28 107.3(3) . .
C34 P2 C3 110.7(3) . .
C28 P2 C3 109.8(3) . .
C34 P2 Pt1 116.10(18) . .
C28 P2 Pt1 116.21(19) . .
C3 P2 Pt1 96.21(17) . .
C1 N1 S3 110.7(3) . .
C2 N2 S4 109.8(3) . .
N1 C1 C4 115.3(4) . .
N1 C1 S1 125.5(4) . .
C4 C1 S1 119.2(4) . .
N2 C2 C10 116.3(4) . .
N2 C2 S2 123.4(4) . .
C10 C2 S2 120.3(4) . .
P2 C3 P1 94.5(2) . .
C9 C4 C5 120.3(5) . .
C9 C4 C1 129.5(4) . .
C5 C4 C1 110.2(4) . .
C4 C5 C6 122.5(5) . .
C4 C5 S3 107.7(4) . .
C6 C5 S3 129.7(4) . .
C5 C6 C7 117.1(5) . .
C6 C7 C8 120.5(5) . .
C9 C8 C7 121.1(5) . .
C4 C9 C8 118.4(5) . .
C15 C10 C11 120.8(4) . .
C15 C10 C2 129.2(4) . .
C11 C10 C2 110.0(4) . .
C12 C11 C10 122.6(5) . .
C12 C11 S4 130.1(4) . .
C10 C11 S4 107.3(4) . .
C11 C12 C13 117.4(5) . .
C12 C13 C14 120.6(5) . .
C13 C14 C15 121.9(5) . .
C10 C15 C14 116.7(5) . .
C17 C16 C21 119.0(6) . .
C17 C16 P1 116.9(4) . .
C21 C16 P1 124.1(5) . .
C16 C17 C18 121.0(6) . .
C19 C18 C17 119.2(7) . .
C20 C19 C18 120.6(7) . .
C19 C20 C21 120.6(6) . .
C16 C21 C20 119.6(6) . .
C27 C22 C23 118.9(6) . .
C27 C22 P1 119.4(4) . .
C23 C22 P1 121.4(5) . .
C24 C23 C22 119.6(6) . .
C23 C24 C25 120.3(7) . .
C26 C25 C24 120.1(6) . .
C25 C26 C27 120.5(6) . .
C26 C27 C22 120.6(6) . .
C33 C28 C29 119.1(5) . .
C33 C28 P2 122.6(4) . .
C29 C28 P2 118.3(4) . .
C30 C29 C28 120.9(6) . .
C29 C30 C31 119.3(6) . .
C32 C31 C30 119.8(6) . .
C33 C32 C31 120.9(6) . .
C32 C33 C28 119.9(5) . .
C39 C34 C35 119.6(5) . .
C39 C34 P2 117.8(4) . .
C35 C34 P2 122.6(4) . .
C36 C35 C34 120.2(6) . .
C35 C36 C37 119.4(6) . .
C38 C37 C36 121.0(6) . .
C37 C38 C39 120.0(6) . .
C38 C39 C34 119.8(5) . .
Cl1 C40 Cl1 174(3) 2_657 .
Cl1 C40 Cl2 100.4(12) 2_657 .
Cl1 C40 Cl2 83.6(11) . .
Cl1 C40 Cl2 83.6(10) 2_657 2_657
Cl1 C40 Cl2 100.4(12) . 2_657
Cl2 C40 Cl2 92.3(16) . 2_657
Cl1 C40 Cl3 75.0(8) 2_657 .
Cl1 C40 Cl3 106.8(8) . .
Cl2 C40 Cl3 35.4(4) . .
Cl2 C40 Cl3 113.1(16) 2_657 .
Cl1 C40 Cl3 106.8(8) 2_657 2_657
Cl1 C40 Cl3 75.0(8) . 2_657
Cl2 C40 Cl3 113.1(16) . 2_657
Cl2 C40 Cl3 35.4(4) 2_657 2_657
Cl3 C40 Cl3 144.4(19) . 2_657
O10 Cl1 C40 163.6(17) . .
O10 Cl1 Cl3 134.5(14) . 2_657
C40 Cl1 Cl3 58.3(7) . 2_657
O10 Cl1 Cl2 112.6(12) . .
C40 Cl1 Cl2 52.7(11) . .
Cl3 Cl1 Cl2 88.8(8) 2_657 .
O10 Cl1 Cl2 142.8(13) . 2_657
C40 Cl1 Cl2 43.2(10) . 2_657
Cl3 Cl1 Cl2 24.3(3) 2_657 2_657
Cl2 Cl1 Cl2 64.5(6) . 2_657
Cl3 Cl2 C40 73.6(7) . .
Cl3 Cl2 Cl1 103.5(8) . .
C40 Cl2 Cl1 43.7(5) . .
Cl3 Cl2 Cl1 50.7(6) . 2_657
C40 Cl2 Cl1 36.4(5) . 2_657
Cl1 Cl2 Cl1 80.0(9) . 2_657
Cl3 Cl2 Cl2 102.1(6) . 2_657
C40 Cl2 Cl2 43.8(8) . 2_657
Cl1 Cl2 Cl2 64.1(5) . 2_657
Cl1 Cl2 Cl2 51.4(5) 2_657 2_657
Cl2 Cl3 C40 71.0(9) . .
Cl2 Cl3 Cl1 105.0(8) . 2_657
C40 Cl3 Cl1 46.7(6) . 2_657
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt1 P2 2.2438(13) .
Pt1 P1 2.2613(13) .
Pt1 S1 2.3353(13) .
Pt1 S2 2.3728(12) .
S1 C1 1.698(5) .
S2 C2 1.714(5) .
S3 O1 1.424(4) .
S3 O2 1.434(4) .
S3 N1 1.653(4) .
S3 C5 1.758(5) .
S4 O3 1.430(4) .
S4 O4 1.433(4) .
S4 N2 1.645(4) .
S4 C11 1.765(5) .
P1 C16 1.800(6) .
P1 C22 1.802(6) .
P1 C3 1.848(5) .
P2 C34 1.803(6) .
P2 C28 1.813(5) .
P2 C3 1.837(5) .
N1 C1 1.307(6) .
N2 C2 1.316(6) .
C1 C4 1.501(6) .
C2 C10 1.489(6) .
C4 C9 1.372(7) .
C4 C5 1.374(7) .
C5 C6 1.386(7) .
C6 C7 1.387(8) .
C7 C8 1.390(8) .
C8 C9 1.385(7) .
C10 C15 1.379(7) .
C10 C11 1.379(7) .
C11 C12 1.367(7) .
C12 C13 1.380(8) .
C13 C14 1.381(9) .
C14 C15 1.395(7) .
C16 C17 1.372(9) .
C16 C21 1.380(7) .
C17 C18 1.391(9) .
C18 C19 1.361(9) .
C19 C20 1.359(10) .
C20 C21 1.387(10) .
C22 C27 1.396(8) .
C22 C23 1.399(8) .
C23 C24 1.374(10) .
C24 C25 1.392(11) .
C25 C26 1.362(10) .
C26 C27 1.364(9) .
C28 C33 1.382(7) .
C28 C29 1.386(7) .
C29 C30 1.373(8) .
C30 C31 1.381(9) .
C31 C32 1.377(9) .
C32 C33 1.365(8) .
C34 C39 1.384(8) .
C34 C35 1.395(7) .
C35 C36 1.374(9) .
C36 C37 1.375(10) .
C37 C38 1.372(9) .
C38 C39 1.377(8) .
C40 Cl1 1.463(19) 2_657
C40 Cl1 1.463(19) .
C40 Cl2 1.69(2) .
C40 Cl2 1.69(2) 2_657
C40 Cl3 1.711(10) .
C40 Cl3 1.711(10) 2_657
Cl1 O10 1.255(17) .
Cl1 Cl3 1.942(17) 2_657
Cl1 Cl2 2.106(19) .
Cl1 Cl2 2.424(18) 2_657
Cl2 Cl3 1.032(7) .
Cl2 Cl1 2.424(18) 2_657
Cl2 Cl2 2.433(14) 2_657
Cl3 Cl1 1.942(17) 2_657
O11 C41 1.446(12) .
O12 C42 1.370(16) .
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
P2 Pt1 S1 C1 71.6(13) . .
P1 Pt1 S1 C1 -2.55(19) . .
S2 Pt1 S1 C1 175.71(19) . .
P2 Pt1 S2 C2 -107.76(17) . .
P1 Pt1 S2 C2 -113.9(3) . .
S1 Pt1 S2 C2 74.23(17) . .
P2 Pt1 P1 C16 -105.78(19) . .
S1 Pt1 P1 C16 72.16(19) . .
S2 Pt1 P1 C16 -99.4(3) . .
P2 Pt1 P1 C22 111.2(2) . .
S1 Pt1 P1 C22 -70.9(2) . .
S2 Pt1 P1 C22 117.5(3) . .
P2 Pt1 P1 C3 3.06(19) . .
S1 Pt1 P1 C3 -179.00(19) . .
S2 Pt1 P1 C3 9.4(3) . .
P1 Pt1 P2 C34 -119.7(2) . .
S1 Pt1 P2 C34 165.6(12) . .
S2 Pt1 P2 C34 61.60(19) . .
P1 Pt1 P2 C28 112.6(2) . .
S1 Pt1 P2 C28 37.9(13) . .
S2 Pt1 P2 C28 -66.1(2) . .
P1 Pt1 P2 C3 -3.08(19) . .
S1 Pt1 P2 C3 -77.8(12) . .
S2 Pt1 P2 C3 178.24(19) . .
O1 S3 N1 C1 115.6(4) . .
O2 S3 N1 C1 -114.1(4) . .
C5 S3 N1 C1 1.3(4) . .
O3 S4 N2 C2 -116.3(4) . .
O4 S4 N2 C2 114.6(4) . .
C11 S4 N2 C2 0.0(4) . .
S3 N1 C1 C4 0.7(5) . .
S3 N1 C1 S1 -177.8(3) . .
Pt1 S1 C1 N1 1.4(5) . .
Pt1 S1 C1 C4 -177.0(3) . .
S4 N2 C2 C10 -1.4(5) . .
S4 N2 C2 S2 178.0(3) . .
Pt1 S2 C2 N2 -1.0(5) . .
Pt1 S2 C2 C10 178.3(3) . .
C34 P2 C3 P1 124.6(3) . .
C28 P2 C3 P1 -117.1(3) . .
Pt1 P2 C3 P1 3.6(2) . .
C16 P1 C3 P2 114.2(3) . .
C22 P1 C3 P2 -125.7(3) . .
Pt1 P1 C3 P2 -3.6(2) . .
N1 C1 C4 C9 177.5(5) . .
S1 C1 C4 C9 -3.9(7) . .
N1 C1 C4 C5 -3.0(6) . .
S1 C1 C4 C5 175.6(4) . .
C9 C4 C5 C6 1.4(8) . .
C1 C4 C5 C6 -178.1(5) . .
C9 C4 C5 S3 -176.9(4) . .
C1 C4 C5 S3 3.6(5) . .
O1 S3 C5 C4 -116.8(4) . .
O2 S3 C5 C4 110.9(4) . .
N1 S3 C5 C4 -3.0(4) . .
O1 S3 C5 C6 65.1(6) . .
O2 S3 C5 C6 -67.3(6) . .
N1 S3 C5 C6 178.9(5) . .
C4 C5 C6 C7 -0.3(8) . .
S3 C5 C6 C7 177.6(4) . .
C5 C6 C7 C8 -1.1(8) . .
C6 C7 C8 C9 1.3(8) . .
C5 C4 C9 C8 -1.2(7) . .
C1 C4 C9 C8 178.2(5) . .
C7 C8 C9 C4 -0.1(8) . .
N2 C2 C10 C15 -177.9(5) . .
S2 C2 C10 C15 2.7(7) . .
N2 C2 C10 C11 2.5(6) . .
S2 C2 C10 C11 -176.9(4) . .
C15 C10 C11 C12 -0.1(8) . .
C2 C10 C11 C12 179.5(5) . .
C15 C10 C11 S4 178.2(4) . .
C2 C10 C11 S4 -2.2(5) . .
O3 S4 C11 C12 -66.7(6) . .
O4 S4 C11 C12 65.5(6) . .
N2 S4 C11 C12 179.5(6) . .
O3 S4 C11 C10 115.2(4) . .
O4 S4 C11 C10 -112.6(4) . .
N2 S4 C11 C10 1.4(4) . .
C10 C11 C12 C13 -0.5(9) . .
S4 C11 C12 C13 -178.4(5) . .
C11 C12 C13 C14 1.3(9) . .
C12 C13 C14 C15 -1.4(9) . .
C11 C10 C15 C14 0.0(7) . .
C2 C10 C15 C14 -179.6(5) . .
C13 C14 C15 C10 0.8(8) . .
C22 P1 C16 C17 168.2(5) . .
C3 P1 C16 C17 -80.0(5) . .
Pt1 P1 C16 C17 23.2(5) . .
C22 P1 C16 C21 -13.2(6) . .
C3 P1 C16 C21 98.7(5) . .
Pt1 P1 C16 C21 -158.1(5) . .
C21 C16 C17 C18 0.0(10) . .
P1 C16 C17 C18 178.7(6) . .
C16 C17 C18 C19 -0.5(12) . .
C17 C18 C19 C20 1.6(12) . .
C18 C19 C20 C21 -2.3(11) . .
C17 C16 C21 C20 -0.6(10) . .
P1 C16 C21 C20 -179.2(5) . .
C19 C20 C21 C16 1.7(10) . .
C16 P1 C22 C27 -130.9(5) . .
C3 P1 C22 C27 116.3(5) . .
Pt1 P1 C22 C27 12.4(6) . .
C16 P1 C22 C23 55.7(6) . .
C3 P1 C22 C23 -57.1(6) . .
Pt1 P1 C22 C23 -161.0(5) . .
C27 C22 C23 C24 2.2(10) . .
P1 C22 C23 C24 175.6(6) . .
C22 C23 C24 C25 -0.5(12) . .
C23 C24 C25 C26 -1.5(13) . .
C24 C25 C26 C27 1.9(12) . .
C25 C26 C27 C22 -0.2(11) . .
C23 C22 C27 C26 -1.8(9) . .
P1 C22 C27 C26 -175.4(5) . .
C34 P2 C28 C33 133.7(5) . .
C3 P2 C28 C33 13.3(6) . .
Pt1 P2 C28 C33 -94.5(5) . .
C34 P2 C28 C29 -48.6(5) . .
C3 P2 C28 C29 -168.9(4) . .
Pt1 P2 C28 C29 83.3(5) . .
C33 C28 C29 C30 -1.7(9) . .
P2 C28 C29 C30 -179.5(4) . .
C28 C29 C30 C31 0.7(9) . .
C29 C30 C31 C32 0.8(9) . .
C30 C31 C32 C33 -1.4(9) . .
C31 C32 C33 C28 0.4(9) . .
C29 C28 C33 C32 1.1(8) . .
P2 C28 C33 C32 178.9(5) . .
C28 P2 C34 C39 149.1(4) . .
C3 P2 C34 C39 -91.0(4) . .
Pt1 P2 C34 C39 17.2(5) . .
C28 P2 C34 C35 -30.6(5) . .
C3 P2 C34 C35 89.2(5) . .
Pt1 P2 C34 C35 -162.5(4) . .
C39 C34 C35 C36 -1.7(8) . .
P2 C34 C35 C36 178.0(5) . .
C34 C35 C36 C37 2.1(9) . .
C35 C36 C37 C38 -1.0(10) . .
C36 C37 C38 C39 -0.6(10) . .
C37 C38 C39 C34 1.0(9) . .
C35 C34 C39 C38 0.1(8) . .
P2 C34 C39 C38 -179.6(4) . .
Cl1 C40 Cl1 O10 106(7) 2_657 .
Cl2 C40 Cl1 O10 -29(8) . .
Cl2 C40 Cl1 O10 -120(7) 2_657 .
Cl3 C40 Cl1 O10 -2(8) . .
Cl3 C40 Cl1 O10 -145(7) 2_657 .
Cl1 C40 Cl1 Cl3 -109.3(7) 2_657 2_657
Cl2 C40 Cl1 Cl3 116.1(13) . 2_657
Cl2 C40 Cl1 Cl3 24.8(5) 2_657 2_657
Cl3 C40 Cl1 Cl3 143(2) . 2_657
Cl1 C40 Cl1 Cl2 134.7(7) 2_657 .
Cl2 C40 Cl1 Cl2 -91.2(16) 2_657 .
Cl3 C40 Cl1 Cl2 27.0(8) . .
Cl3 C40 Cl1 Cl2 -116.1(13) 2_657 .
Cl1 C40 Cl1 Cl2 -134.1(10) 2_657 2_657
Cl2 C40 Cl1 Cl2 91.2(16) . 2_657
Cl3 C40 Cl1 Cl2 118(2) . 2_657
Cl3 C40 Cl1 Cl2 -24.8(5) 2_657 2_657
Cl1 C40 Cl2 Cl3 -44.5(12) 2_657 .
Cl1 C40 Cl2 Cl3 131.4(13) . .
Cl2 C40 Cl2 Cl3 -128.4(6) 2_657 .
Cl3 C40 Cl2 Cl3 -158.0(8) 2_657 .
Cl1 C40 Cl2 Cl1 -176(2) 2_657 .
Cl2 C40 Cl2 Cl1 100.2(11) 2_657 .
Cl3 C40 Cl2 Cl1 -131.4(13) . .
Cl3 C40 Cl2 Cl1 70.7(8) 2_657 .
Cl1 C40 Cl2 Cl1 176(2) . 2_657
Cl2 C40 Cl2 Cl1 -83.9(13) 2_657 2_657
Cl3 C40 Cl2 Cl1 44.5(12) . 2_657
Cl3 C40 Cl2 Cl1 -113.5(18) 2_657 2_657
Cl1 C40 Cl2 Cl2 83.9(13) 2_657 2_657
Cl1 C40 Cl2 Cl2 -100.2(11) . 2_657
Cl3 C40 Cl2 Cl2 128.4(6) . 2_657
Cl3 C40 Cl2 Cl2 -29.5(7) 2_657 2_657
O10 Cl1 Cl2 Cl3 123.7(13) . .
C40 Cl1 Cl2 Cl3 -47.8(13) . .
Cl3 Cl1 Cl2 Cl3 -97.6(8) 2_657 .
Cl2 Cl1 Cl2 Cl3 -97.0(7) 2_657 .
O10 Cl1 Cl2 C40 172(2) . .
Cl3 Cl1 Cl2 C40 -49.9(11) 2_657 .
Cl2 Cl1 Cl2 C40 -49.3(12) 2_657 .
O10 Cl1 Cl2 Cl1 169.0(13) . 2_657
C40 Cl1 Cl2 Cl1 -2.5(13) . 2_657
Cl3 Cl1 Cl2 Cl1 -52.4(8) 2_657 2_657
Cl2 Cl1 Cl2 Cl1 -51.8(6) 2_657 2_657
O10 Cl1 Cl2 Cl2 -139.2(14) . 2_657
C40 Cl1 Cl2 Cl2 49.3(12) . 2_657
Cl3 Cl1 Cl2 Cl2 -0.6(4) 2_657 2_657
Cl1 Cl2 Cl3 C40 32.2(8) . .
Cl1 Cl2 Cl3 C40 -32.5(9) 2_657 .
Cl2 Cl2 Cl3 C40 -33.7(7) 2_657 .
C40 Cl2 Cl3 Cl1 32.5(9) . 2_657
Cl1 Cl2 Cl3 Cl1 64.7(9) . 2_657
Cl2 Cl2 Cl3 Cl1 -1.2(8) 2_657 2_657
Cl1 C40 Cl3 Cl2 134.5(15) 2_657 .
Cl1 C40 Cl3 Cl2 -51.2(16) . .
Cl2 C40 Cl3 Cl2 58.3(11) 2_657 .
Cl3 C40 Cl3 Cl2 36.4(5) 2_657 .
Cl1 C40 Cl3 Cl1 174(3) . 2_657
Cl2 C40 Cl3 Cl1 -134.5(15) . 2_657
Cl2 C40 Cl3 Cl1 -76.1(9) 2_657 2_657
Cl3 C40 Cl3 Cl1 -98.1(12) 2_657 2_657
