#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:01:37 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179227 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/47/4314797.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_4314797
loop_
_publ_author_name
'Alexander M. Spokoyny'
'Mari S. Rosen'
'Pirmin A. Ulmann'
'Charlotte Stern'
'Chad A. Mirkin'
_publ_section_title
;
 Selective Formation of Heteroligated Pt(II) Complexes with Bidentate
 Phosphine-Thioether (P,S) and Phosphine-Selenoether (P,Se) Ligands via
 the Halide-Induced Ligand Rearrangement Reaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1577
_journal_page_last               1586
_journal_paper_doi               10.1021/ic901991w
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C32 H35 Cl4 F3 P2 Pt S2'
_chemical_formula_weight         939.55
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                108.108(2)
_cell_angle_beta                 90.6480(10)
_cell_angle_gamma                100.0850(10)
_cell_formula_units_Z            2
_cell_length_a                   9.5260(3)
_cell_length_b                   12.7111(3)
_cell_length_c                   15.8835(4)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.562
_cell_measurement_theta_min      2.48
_cell_volume                     1795.32(9)
_computing_cell_refinement       'SAINT V7.23A (Bruker, 2005)'
_computing_data_collection       'APEX2 V2.1-4 (Bruker, 2007)'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.972
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0884
_diffrn_reflns_av_sigmaI/netI    0.0803
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            37308
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         30.68
_diffrn_reflns_theta_min         1.72
_exptl_absorpt_coefficient_mu    4.449
_exptl_absorpt_correction_T_max  0.8969
_exptl_absorpt_correction_T_min  0.1907
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   face-indexed
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.56
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.03
_refine_diff_density_max         4.087
_refine_diff_density_min         -2.785
_refine_diff_density_rms         0.223
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.115
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     399
_refine_ls_number_reflns         10835
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0633
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0290P)²+15.8869P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1251
_refine_ls_wR_factor_ref         0.1293
_reflns_number_gt                8956
_reflns_number_total             10835
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic901991w_si_001_5.cif
_cod_data_source_block           compund_9
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        1795.32(8)
_cod_database_code               4314797
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.75617(3) 0.78842(2) 0.650671(16) 0.01411(7) Uani 1 1 d . . .
Cl1 Cl 0.04843(19) 0.83653(14) 0.31960(11) 0.0253(3) Uani 1 1 d . . .
Cl2 Cl 0.1434(3) 0.4907(2) 0.68728(17) 0.0529(6) Uani 1 1 d . . .
Cl3 Cl 0.2896(3) 0.4603(2) 0.8365(2) 0.0608(8) Uani 1 1 d . . .
Cl4 Cl 0.96441(17) 0.73845(14) 0.69430(11) 0.0235(3) Uani 1 1 d . . .
S1 S 0.85938(17) 0.76642(13) 0.51474(10) 0.0177(3) Uani 1 1 d . . .
S2 S 1.0153(2) 1.10906(15) 0.92875(12) 0.0265(4) Uani 1 1 d . . .
P1 P 0.57789(17) 0.84490(14) 0.59322(11) 0.0161(3) Uani 1 1 d . . .
P2 P 0.68832(17) 0.80799(13) 0.79088(11) 0.0163(3) Uani 1 1 d . . .
F1 F 0.9392(7) 1.3373(5) 1.0489(4) 0.0552(15) Uani 1 1 d . . .
F2 F 0.7779(6) 1.2505(5) 0.9419(5) 0.0633(17) Uani 1 1 d . . .
F3 F 0.9198(8) 1.4020(5) 0.9409(5) 0.0686(19) Uani 1 1 d . . .
C1 C 1.0063(7) 0.8844(6) 0.5445(5) 0.0228(13) Uani 1 1 d . . .
H1A H 1.0494 0.8926 0.4906 0.034 Uiso 1 1 calc R . .
H1B H 1.0781 0.8716 0.5830 0.034 Uiso 1 1 calc R . .
H1C H 0.9714 0.9532 0.5760 0.034 Uiso 1 1 calc R . .
C2 C 0.7390(7) 0.8094(6) 0.4482(4) 0.0205(12) Uani 1 1 d . . .
H2A H 0.7941 0.8414 0.4064 0.025 Uiso 1 1 calc R . .
H2B H 0.6686 0.7428 0.4128 0.025 Uiso 1 1 calc R . .
C3 C 0.6604(7) 0.8972(6) 0.5066(4) 0.0208(13) Uani 1 1 d . . .
H3A H 0.5859 0.9118 0.4701 0.025 Uiso 1 1 calc R . .
H3B H 0.7285 0.9688 0.5343 0.025 Uiso 1 1 calc R . .
C4 C 0.4309(7) 0.7323(5) 0.5372(4) 0.0169(11) Uani 1 1 d . . .
C5 C 0.4151(7) 0.6288(6) 0.5509(5) 0.0224(13) Uani 1 1 d . . .
H5 H 0.4836 0.6155 0.5886 0.027 Uiso 1 1 calc R . .
C6 C 0.2994(8) 0.5441(6) 0.5099(5) 0.0290(15) Uani 1 1 d . . .
H6 H 0.2893 0.4729 0.5192 0.035 Uiso 1 1 calc R . .
C7 C 0.1996(8) 0.5632(6) 0.4558(5) 0.0291(16) Uani 1 1 d . . .
H7 H 0.1197 0.5054 0.4290 0.035 Uiso 1 1 calc R . .
C8 C 0.2140(7) 0.6653(6) 0.4401(5) 0.0262(14) Uani 1 1 d . . .
H8 H 0.1452 0.6773 0.4020 0.031 Uiso 1 1 calc R . .
C9 C 0.3296(7) 0.7504(5) 0.4802(4) 0.0200(12) Uani 1 1 d . . .
H9 H 0.3404 0.8207 0.4693 0.024 Uiso 1 1 calc R . .
C10 C 0.5033(6) 0.9647(4) 0.6565(4) 0.0101(10) Uani 1 1 d U . .
C11 C 0.5836(8) 1.0681(5) 0.6914(5) 0.0251(14) Uani 1 1 d . . .
H11 H 0.6832 1.0790 0.6836 0.030 Uiso 1 1 calc R . .
C12 C 0.5243(9) 1.1594(6) 0.7384(5) 0.0304(16) Uani 1 1 d . . .
H12 H 0.5834 1.2317 0.7624 0.037 Uiso 1 1 calc R . .
C13 C 0.3788(9) 1.1455(7) 0.7505(5) 0.0329(17) Uani 1 1 d . . .
H13 H 0.3376 1.2088 0.7803 0.040 Uiso 1 1 calc R . .
C14 C 0.2943(9) 1.0397(7) 0.7193(5) 0.0295(16) Uani 1 1 d . . .
H14 H 0.1951 1.0301 0.7284 0.035 Uiso 1 1 calc R . .
C15 C 0.3534(7) 0.9467(5) 0.6745(4) 0.0197(12) Uani 1 1 d . . .
H15 H 0.2968 0.8730 0.6560 0.024 Uiso 1 1 calc R . .
C16 C 0.8245(7) 0.9125(5) 0.8705(4) 0.0178(12) Uani 1 1 d . . .
H17A H 0.7832 0.9373 0.9288 0.021 Uiso 1 1 calc R . .
H17B H 0.9054 0.8761 0.8782 0.021 Uiso 1 1 calc R . .
C17 C 0.8817(7) 1.0167(6) 0.8426(4) 0.0224(13) Uani 1 1 d . . .
H18A H 0.8030 1.0559 0.8364 0.027 Uiso 1 1 calc R . .
H18B H 0.9251 0.9941 0.7849 0.027 Uiso 1 1 calc R . .
C18 C 1.0196(8) 1.2415(6) 0.9094(5) 0.0300(16) Uani 1 1 d . . .
H19A H 1.1170 1.2875 0.9260 0.036 Uiso 1 1 calc R . .
H19B H 0.9984 1.2275 0.8452 0.036 Uiso 1 1 calc R . .
C19 C 0.9142(10) 1.3063(7) 0.9612(6) 0.040(2) Uani 1 1 d . . .
C20 C 0.6791(7) 0.6821(6) 0.8239(5) 0.0208(13) Uani 1 1 d . . .
C21 C 0.7017(9) 0.5810(6) 0.7663(6) 0.0341(17) Uani 1 1 d . . .
H22 H 0.7238 0.5754 0.7071 0.041 Uiso 1 1 calc R . .
C22 C 0.6922(11) 0.4874(8) 0.7948(7) 0.049(3) Uani 1 1 d . . .
H23 H 0.7062 0.4177 0.7546 0.059 Uiso 1 1 calc R . .
C23 C 0.6626(9) 0.4948(8) 0.8809(7) 0.042(2) Uani 1 1 d . . .
H24 H 0.6575 0.4306 0.9001 0.050 Uiso 1 1 calc R . .
C24 C 0.6405(9) 0.5943(7) 0.9385(6) 0.0350(18) Uani 1 1 d . . .
H25 H 0.6202 0.5994 0.9979 0.042 Uiso 1 1 calc R . .
C25 C 0.6478(8) 0.6891(6) 0.9103(5) 0.0286(15) Uani 1 1 d . . .
H26 H 0.6313 0.7581 0.9503 0.034 Uiso 1 1 calc R . .
C26 C 0.5195(7) 0.8484(5) 0.8239(4) 0.0171(12) Uani 1 1 d . . .
C27 C 0.5075(7) 0.9569(6) 0.8740(4) 0.0229(13) Uani 1 1 d . . .
H28 H 0.5899 1.0151 0.8895 0.027 Uiso 1 1 calc R . .
C28 C 0.3757(8) 0.9805(7) 0.9014(5) 0.0280(15) Uani 1 1 d . . .
H29 H 0.3680 1.0550 0.9356 0.034 Uiso 1 1 calc R . .
C29 C 0.2546(8) 0.8960(7) 0.8793(5) 0.0302(16) Uani 1 1 d . . .
H30 H 0.1650 0.9126 0.8995 0.036 Uiso 1 1 calc R . .
C30 C 0.2640(8) 0.7882(7) 0.8281(5) 0.0286(15) Uani 1 1 d . . .
H31 H 0.1808 0.7308 0.8119 0.034 Uiso 1 1 calc R . .
C31 C 0.3953(7) 0.7641(6) 0.8003(5) 0.0222(13) Uani 1 1 d . . .
H32 H 0.4018 0.6898 0.7650 0.027 Uiso 1 1 calc R . .
C32 C 0.1233(9) 0.4446(7) 0.7802(6) 0.0354(18) Uani 1 1 d . . .
H33A H 0.0760 0.3643 0.7611 0.042 Uiso 1 1 calc R . .
H33B H 0.0613 0.4885 0.8211 0.042 Uiso 1 1 calc R . .
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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'
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
P1 Pt1 P2 101.19(6) . . ?
P1 Pt1 S1 87.12(6) . . ?
P2 Pt1 S1 171.41(6) . . ?
P1 Pt1 Cl4 170.97(6) . . ?
P2 Pt1 Cl4 86.93(6) . . ?
S1 Pt1 Cl4 84.63(6) . . ?
C1 S1 C2 102.1(3) . . ?
C1 S1 Pt1 101.3(2) . . ?
C2 S1 Pt1 105.2(2) . . ?
C18 S2 C17 101.0(3) . . ?
C10 P1 C4 107.9(3) . . ?
C10 P1 C3 101.0(3) . . ?
C4 P1 C3 105.9(3) . . ?
C10 P1 Pt1 121.85(18) . . ?
C4 P1 Pt1 114.3(2) . . ?
C3 P1 Pt1 103.7(2) . . ?
C26 P2 C20 101.6(3) . . ?
C26 P2 C16 105.5(3) . . ?
C20 P2 C16 103.6(3) . . ?
C26 P2 Pt1 120.9(2) . . ?
C20 P2 Pt1 114.5(2) . . ?
C16 P2 Pt1 109.1(2) . . ?
S1 C1 H1A 109.5 . . ?
S1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
S1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
C3 C2 S1 111.0(5) . . ?
C3 C2 H2A 109.4 . . ?
S1 C2 H2A 109.4 . . ?
C3 C2 H2B 109.4 . . ?
S1 C2 H2B 109.4 . . ?
H2A C2 H2B 108.0 . . ?
C2 C3 P1 109.3(4) . . ?
C2 C3 H3A 109.8 . . ?
P1 C3 H3A 109.8 . . ?
C2 C3 H3B 109.8 . . ?
P1 C3 H3B 109.8 . . ?
H3A C3 H3B 108.3 . . ?
C5 C4 C9 119.4(6) . . ?
C5 C4 P1 120.6(5) . . ?
C9 C4 P1 120.0(5) . . ?
C4 C5 C6 120.2(6) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C7 C6 C5 120.1(7) . . ?
C7 C6 H6 120.0 . . ?
C5 C6 H6 120.0 . . ?
C6 C7 C8 120.8(7) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C7 C8 C9 119.7(6) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C8 C9 C4 119.8(6) . . ?
C8 C9 H9 120.1 . . ?
C4 C9 H9 120.1 . . ?
C11 C10 C15 119.0(6) . . ?
C11 C10 P1 122.3(5) . . ?
C15 C10 P1 118.6(4) . . ?
C10 C11 C12 121.5(7) . . ?
C10 C11 H11 119.2 . . ?
C12 C11 H11 119.2 . . ?
C11 C12 C13 120.2(7) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C14 C13 C12 119.9(7) . . ?
C14 C13 H13 120.1 . . ?
C12 C13 H13 120.1 . . ?
C13 C14 C15 120.5(7) . . ?
C13 C14 H14 119.8 . . ?
C15 C14 H14 119.8 . . ?
C14 C15 C10 118.6(6) . . ?
C14 C15 H15 120.7 . . ?
C10 C15 H15 120.7 . . ?
C17 C16 P2 113.8(4) . . ?
C17 C16 H17A 108.8 . . ?
P2 C16 H17A 108.8 . . ?
C17 C16 H17B 108.8 . . ?
P2 C16 H17B 108.8 . . ?
H17A C16 H17B 107.7 . . ?
C16 C17 S2 107.3(4) . . ?
C16 C17 H18A 110.3 . . ?
S2 C17 H18A 110.3 . . ?
C16 C17 H18B 110.3 . . ?
S2 C17 H18B 110.3 . . ?
H18A C17 H18B 108.5 . . ?
C19 C18 S2 112.4(6) . . ?
C19 C18 H19A 109.1 . . ?
S2 C18 H19A 109.1 . . ?
C19 C18 H19B 109.1 . . ?
S2 C18 H19B 109.1 . . ?
H19A C18 H19B 107.9 . . ?
F1 C19 F3 106.2(7) . . ?
F1 C19 F2 107.1(8) . . ?
F3 C19 F2 106.4(8) . . ?
F1 C19 C18 114.3(7) . . ?
F3 C19 C18 109.0(8) . . ?
F2 C19 C18 113.3(7) . . ?
C21 C20 C25 119.3(7) . . ?
C21 C20 P2 122.5(6) . . ?
C25 C20 P2 118.2(5) . . ?
C20 C21 C22 120.1(8) . . ?
C20 C21 H22 120.0 . . ?
C22 C21 H22 120.0 . . ?
C23 C22 C21 120.5(9) . . ?
C23 C22 H23 119.7 . . ?
C21 C22 H23 119.7 . . ?
C24 C23 C22 120.0(7) . . ?
C24 C23 H24 120.0 . . ?
C22 C23 H24 120.0 . . ?
C23 C24 C25 120.1(8) . . ?
C23 C24 H25 119.9 . . ?
C25 C24 H25 119.9 . . ?
C20 C25 C24 120.0(7) . . ?
C20 C25 H26 120.0 . . ?
C24 C25 H26 120.0 . . ?
C27 C26 C31 118.8(6) . . ?
C27 C26 P2 123.2(5) . . ?
C31 C26 P2 118.0(5) . . ?
C28 C27 C26 120.1(7) . . ?
C28 C27 H28 119.9 . . ?
C26 C27 H28 119.9 . . ?
C27 C28 C29 120.5(7) . . ?
C27 C28 H29 119.8 . . ?
C29 C28 H29 119.8 . . ?
C30 C29 C28 120.2(7) . . ?
C30 C29 H30 119.9 . . ?
C28 C29 H30 119.9 . . ?
C29 C30 C31 119.6(7) . . ?
C29 C30 H31 120.2 . . ?
C31 C30 H31 120.2 . . ?
C30 C31 C26 120.8(7) . . ?
C30 C31 H32 119.6 . . ?
C26 C31 H32 119.6 . . ?
Cl2 C32 Cl3 111.3(5) . . ?
Cl2 C32 H33A 109.4 . . ?
Cl3 C32 H33A 109.4 . . ?
Cl2 C32 H33B 109.4 . . ?
Cl3 C32 H33B 109.4 . . ?
H33A C32 H33B 108.0 . . ?
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 P1 2.2430(16) . ?
Pt1 P2 2.2767(16) . ?
Pt1 S1 2.3400(16) . ?
Pt1 Cl4 2.3458(15) . ?
Cl2 C32 1.751(9) . ?
Cl3 C32 1.759(9) . ?
S1 C1 1.800(7) . ?
S1 C2 1.812(6) . ?
S2 C18 1.797(8) . ?
S2 C17 1.819(7) . ?
P1 C10 1.811(5) . ?
P1 C4 1.811(6) . ?
P1 C3 1.833(7) . ?
P2 C26 1.807(6) . ?
P2 C20 1.821(7) . ?
P2 C16 1.833(6) . ?
F1 C19 1.332(11) . ?
F2 C19 1.348(11) . ?
F3 C19 1.344(10) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 C3 1.527(9) . ?
C2 H2A 0.9900 . ?
C2 H2B 0.9900 . ?
C3 H3A 0.9900 . ?
C3 H3B 0.9900 . ?
C4 C5 1.382(9) . ?
C4 C9 1.412(9) . ?
C5 C6 1.390(10) . ?
C5 H5 0.9500 . ?
C6 C7 1.376(11) . ?
C6 H6 0.9500 . ?
C7 C8 1.381(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.388(10) . ?
C8 H8 0.9500 . ?
C9 H9 0.9500 . ?
C10 C11 1.344(8) . ?
C10 C15 1.452(9) . ?
C11 C12 1.387(10) . ?
C11 H11 0.9500 . ?
C12 C13 1.390(12) . ?
C12 H12 0.9500 . ?
C13 C14 1.379(12) . ?
C13 H13 0.9500 . ?
C14 C15 1.393(9) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.539(9) . ?
C16 H17A 0.9900 . ?
C16 H17B 0.9900 . ?
C17 H18A 0.9900 . ?
C17 H18B 0.9900 . ?
C18 C19 1.500(12) . ?
C18 H19A 0.9900 . ?
C18 H19B 0.9900 . ?
C20 C21 1.381(10) . ?
C20 C25 1.386(10) . ?
C21 C22 1.388(11) . ?
C21 H22 0.9500 . ?
C22 C23 1.376(14) . ?
C22 H23 0.9500 . ?
C23 C24 1.364(13) . ?
C23 H24 0.9500 . ?
C24 C25 1.401(10) . ?
C24 H25 0.9500 . ?
C25 H26 0.9500 . ?
C26 C27 1.386(10) . ?
C26 C31 1.409(9) . ?
C27 C28 1.386(10) . ?
C27 H28 0.9500 . ?
C28 C29 1.389(11) . ?
C28 H29 0.9500 . ?
C29 C30 1.378(11) . ?
C29 H30 0.9500 . ?
C30 C31 1.384(10) . ?
C30 H31 0.9500 . ?
C31 H32 0.9500 . ?
C32 H33A 0.9900 . ?
C32 H33B 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
P1 Pt1 S1 C1 107.0(2) . . . . ?
P2 Pt1 S1 C1 -58.4(5) . . . . ?
Cl4 Pt1 S1 C1 -69.3(2) . . . . ?
P1 Pt1 S1 C2 1.1(2) . . . . ?
P2 Pt1 S1 C2 -164.3(4) . . . . ?
Cl4 Pt1 S1 C2 -175.3(2) . . . . ?
P2 Pt1 P1 C10 40.9(2) . . . . ?
S1 Pt1 P1 C10 -136.9(2) . . . . ?
Cl4 Pt1 P1 C10 -112.9(4) . . . . ?
P2 Pt1 P1 C4 -91.8(2) . . . . ?
S1 Pt1 P1 C4 90.4(2) . . . . ?
Cl4 Pt1 P1 C4 114.4(4) . . . . ?
P2 Pt1 P1 C3 153.4(2) . . . . ?
S1 Pt1 P1 C3 -24.4(2) . . . . ?
Cl4 Pt1 P1 C3 -0.4(5) . . . . ?
P1 Pt1 P2 C26 4.6(3) . . . . ?
S1 Pt1 P2 C26 169.7(4) . . . . ?
Cl4 Pt1 P2 C26 -179.4(3) . . . . ?
P1 Pt1 P2 C20 126.6(2) . . . . ?
S1 Pt1 P2 C20 -68.3(5) . . . . ?
Cl4 Pt1 P2 C20 -57.3(2) . . . . ?
P1 Pt1 P2 C16 -117.8(2) . . . . ?
S1 Pt1 P2 C16 47.3(5) . . . . ?
Cl4 Pt1 P2 C16 58.2(2) . . . . ?
C1 S1 C2 C3 -76.5(5) . . . . ?
Pt1 S1 C2 C3 28.9(5) . . . . ?
S1 C2 C3 P1 -51.7(6) . . . . ?
C10 P1 C3 C2 176.5(4) . . . . ?
C4 P1 C3 C2 -71.1(5) . . . . ?
Pt1 P1 C3 C2 49.5(5) . . . . ?
C10 P1 C4 C5 -122.4(5) . . . . ?
C3 P1 C4 C5 130.1(6) . . . . ?
Pt1 P1 C4 C5 16.6(6) . . . . ?
C10 P1 C4 C9 56.4(6) . . . . ?
C3 P1 C4 C9 -51.1(6) . . . . ?
Pt1 P1 C4 C9 -164.6(4) . . . . ?
C9 C4 C5 C6 -0.9(10) . . . . ?
P1 C4 C5 C6 177.9(6) . . . . ?
C4 C5 C6 C7 -0.4(11) . . . . ?
C5 C6 C7 C8 1.4(12) . . . . ?
C6 C7 C8 C9 -0.9(11) . . . . ?
C7 C8 C9 C4 -0.4(10) . . . . ?
C5 C4 C9 C8 1.3(10) . . . . ?
P1 C4 C9 C8 -177.5(5) . . . . ?
C4 P1 C10 C11 -166.7(5) . . . . ?
C3 P1 C10 C11 -55.8(6) . . . . ?
Pt1 P1 C10 C11 58.1(6) . . . . ?
C4 P1 C10 C15 17.0(5) . . . . ?
C3 P1 C10 C15 127.8(5) . . . . ?
Pt1 P1 C10 C15 -118.3(4) . . . . ?
C15 C10 C11 C12 -4.8(10) . . . . ?
P1 C10 C11 C12 178.9(6) . . . . ?
C10 C11 C12 C13 0.0(12) . . . . ?
C11 C12 C13 C14 3.0(11) . . . . ?
C12 C13 C14 C15 -0.9(11) . . . . ?
C13 C14 C15 C10 -3.8(10) . . . . ?
C11 C10 C15 C14 6.7(9) . . . . ?
P1 C10 C15 C14 -176.8(5) . . . . ?
C26 P2 C16 C17 -89.1(5) . . . . ?
C20 P2 C16 C17 164.5(5) . . . . ?
Pt1 P2 C16 C17 42.2(5) . . . . ?
P2 C16 C17 S2 -179.6(3) . . . . ?
C18 S2 C17 C16 -159.3(5) . . . . ?
C17 S2 C18 C19 89.8(6) . . . . ?
S2 C18 C19 F1 63.6(8) . . . . ?
S2 C18 C19 F3 -177.8(6) . . . . ?
S2 C18 C19 F2 -59.5(9) . . . . ?
C26 P2 C20 C21 127.7(7) . . . . ?
C16 P2 C20 C21 -123.0(7) . . . . ?
Pt1 P2 C20 C21 -4.4(7) . . . . ?
C26 P2 C20 C25 -52.1(6) . . . . ?
C16 P2 C20 C25 57.2(6) . . . . ?
Pt1 P2 C20 C25 175.8(5) . . . . ?
C25 C20 C21 C22 0.4(12) . . . . ?
P2 C20 C21 C22 -179.5(7) . . . . ?
C20 C21 C22 C23 -1.1(15) . . . . ?
C21 C22 C23 C24 0.8(15) . . . . ?
C22 C23 C24 C25 0.1(14) . . . . ?
C21 C20 C25 C24 0.5(11) . . . . ?
P2 C20 C25 C24 -179.6(6) . . . . ?
C23 C24 C25 C20 -0.7(12) . . . . ?
C20 P2 C26 C27 130.3(5) . . . . ?
C16 P2 C26 C27 22.5(6) . . . . ?
Pt1 P2 C26 C27 -101.6(5) . . . . ?
C20 P2 C26 C31 -47.0(5) . . . . ?
C16 P2 C26 C31 -154.9(5) . . . . ?
Pt1 P2 C26 C31 81.0(5) . . . . ?
C31 C26 C27 C28 1.2(9) . . . . ?
P2 C26 C27 C28 -176.2(5) . . . . ?
C26 C27 C28 C29 0.2(11) . . . . ?
C27 C28 C29 C30 -1.5(11) . . . . ?
C28 C29 C30 C31 1.3(11) . . . . ?
C29 C30 C31 C26 0.0(10) . . . . ?
C27 C26 C31 C30 -1.3(9) . . . . ?
P2 C26 C31 C30 176.2(5) . . . . ?
