#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:55:11 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179870 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/66/7016651.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_7016651
loop_
_publ_author_name
'Martínez-Salvador, Sonia'
'Alonso, Pablo J.'
'Forniés, Juan'
'Martín, Antonio'
'Menjón, Babil'
_publ_section_title
;
 Efficient and stereoselective syntheses of isomeric
 trifluoromethyl-platinum(iv) chlorides.
;
_journal_issue                   40
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10440
_journal_page_last               10447
_journal_paper_doi               10.1039/c1dt10557d
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C76 H60 Cl2 F12 N2 O P4 Pt S'
_chemical_formula_weight         1667.19
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.253(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.9437(5)
_cell_length_b                   13.5615(7)
_cell_length_c                   23.7495(8)
_cell_measurement_reflns_used    12095
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.8356
_cell_measurement_theta_min      4.1496
_cell_volume                     3468.4(3)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.904
_diffrn_measurement_details
;
1 omega -83.00 -51.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 -77.0000 90.0000 32

2 omega 42.00 79.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 179.0000 30.0000 37

3 omega -40.00 35.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 -72.0000 -2.0000 75

4 omega 11.00 94.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 77.0000 120.0000 83

5 omega -52.00 54.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- -19.9615 37.0000 -180.0000 106

6 omega -11.00 45.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 77.0000 30.0000 56

7 omega -6.00 93.00 1.0000 15.0000
omega____ theta____ kappa____ phi______ frames
- 22.1490 68.0000 -103.0000 99

;
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'w scans'
_diffrn_orient_matrix_UB_11      -0.0302147079
_diffrn_orient_matrix_UB_12      0.0397550132
_diffrn_orient_matrix_UB_13      0.0112210865
_diffrn_orient_matrix_UB_21      -0.0529968237
_diffrn_orient_matrix_UB_22      -0.0069621504
_diffrn_orient_matrix_UB_23      -0.0217104285
_diffrn_orient_matrix_UB_31      -0.0251394530
_diffrn_orient_matrix_UB_32      -0.0331277760
_diffrn_orient_matrix_UB_33      0.0180216490
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            31175
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.91
_diffrn_reflns_theta_min         4.16
_exptl_absorpt_coefficient_mu    2.302
_exptl_absorpt_correction_T_max  0.7239
_exptl_absorpt_correction_T_min  0.4671
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov 6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.596
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       bloc
_exptl_crystal_F_000             1668
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.044
_refine_diff_density_min         -1.722
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.018
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         8259
_refine_ls_number_restraints     31
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0764
_refine_ls_R_factor_gt           0.0479
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0700P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1234
_reflns_number_gt                5723
_reflns_number_total             8259
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10557d.txt
_cod_data_source_block           4
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7016651
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt Pt 0.0000 0.5000 0.5000 0.02405(10) Uani 1 2 d S . .
Cl1 Cl -0.0856(18) 0.5159(12) 0.3922(4) 0.0427(16) Uani 0.50 1 d P A 1
S S -0.0724(19) 0.5132(13) 0.4069(4) 0.0427(16) Uani 0.50 1 d PD A 2
Cl2 Cl 0.0777(3) 0.4618(2) 0.36562(10) 0.0314(6) Uani 0.50 1 d P A 2
O O -0.1760(10) 0.4727(8) 0.3856(5) 0.024(2) Uani 0.30 1 d PDU A 2
O' O -0.1375(14) 0.5839(12) 0.3901(6) 0.024(2) Uani 0.20 1 d PD A 2
C1 C 0.1648(5) 0.5736(3) 0.4903(2) 0.0372(14) Uani 1 1 d D A .
F1 F 0.2084(5) 0.6377(3) 0.53484(17) 0.0940(18) Uani 1 1 d D . .
F2 F 0.1520(3) 0.6375(3) 0.44690(15) 0.0723(14) Uani 1 1 d D . .
F3 F 0.2661(3) 0.5191(3) 0.4900(2) 0.0678(12) Uani 1 1 d D . .
C2 C 0.0812(4) 0.3617(3) 0.49087(19) 0.0328(13) Uani 1 1 d D A .
F4 F 0.1209(7) 0.3620(5) 0.4382(2) 0.0388(9) Uani 0.40 1 d PD A 1
F5 F 0.0028(5) 0.2844(4) 0.4807(3) 0.0388(9) Uani 0.40 1 d PD A 1
F6 F 0.1837(6) 0.3327(5) 0.5260(3) 0.0388(9) Uani 0.40 1 d PD A 1
F4' F 0.0551(7) 0.3126(5) 0.4387(2) 0.0388(9) Uani 0.40 1 d PD A 2
F5' F 0.0475(6) 0.2909(4) 0.5252(3) 0.0388(9) Uani 0.40 1 d PD A 2
F6' F 0.2059(4) 0.3606(5) 0.5002(4) 0.0388(9) Uani 0.40 1 d PD A 2
F4" F 0.1925(8) 0.3480(10) 0.4711(6) 0.0388(9) Uani 0.20 1 d PD A 3
F5" F 0.0088(10) 0.2990(8) 0.4554(5) 0.0388(9) Uani 0.20 1 d PD A 3
F6" F 0.1086(15) 0.3155(8) 0.5416(3) 0.0388(9) Uani 0.20 1 d PD A 3
P1 P 0.45020(11) 0.54513(9) 0.21287(5) 0.0177(2) Uani 1 1 d . . .
P2 P 0.21427(11) 0.55889(8) 0.12813(5) 0.0184(3) Uani 1 1 d . . .
N1 N 0.3215(4) 0.5865(3) 0.17915(15) 0.0228(9) Uani 1 1 d . . .
C3 C 0.4696(4) 0.4137(3) 0.20807(18) 0.0191(10) Uani 1 1 d . . .
C4 C 0.5147(5) 0.3725(4) 0.1620(2) 0.0291(12) Uani 1 1 d . . .
H4 H 0.5409 0.4143 0.1343 0.035 Uiso 1 1 calc R . .
C5 C 0.5215(5) 0.2715(4) 0.1563(2) 0.0360(13) Uani 1 1 d . . .
H5 H 0.5519 0.2438 0.1247 0.043 Uiso 1 1 calc R . .
C6 C 0.4837(5) 0.2110(4) 0.1968(2) 0.0328(12) Uani 1 1 d . . .
H6 H 0.4890 0.1414 0.1933 0.039 Uiso 1 1 calc R . .
C7 C 0.4385(5) 0.2514(4) 0.2422(2) 0.0314(12) Uani 1 1 d . . .
H7 H 0.4119 0.2093 0.2696 0.038 Uiso 1 1 calc R . .
C8 C 0.4316(4) 0.3520(3) 0.24816(19) 0.0234(10) Uani 1 1 d . . .
H8 H 0.4007 0.3792 0.2797 0.028 Uiso 1 1 calc R . .
C9 C 0.4594(4) 0.5760(3) 0.28728(18) 0.0184(9) Uani 1 1 d . . .
C10 C 0.3590(5) 0.6200(4) 0.3053(2) 0.0306(12) Uani 1 1 d . . .
H10 H 0.2861 0.6348 0.2784 0.037 Uiso 1 1 calc R . .
C11 C 0.3650(6) 0.6425(4) 0.3626(2) 0.0387(14) Uani 1 1 d . . .
H11 H 0.2958 0.6720 0.3751 0.046 Uiso 1 1 calc R . .
C12 C 0.4712(6) 0.6219(4) 0.4016(2) 0.0351(14) Uani 1 1 d . . .
H12 H 0.4746 0.6373 0.4408 0.042 Uiso 1 1 calc R . .
C13 C 0.5713(6) 0.5797(4) 0.3841(2) 0.0334(13) Uani 1 1 d . . .
H13 H 0.6442 0.5662 0.4113 0.040 Uiso 1 1 calc R . .
C14 C 0.5671(5) 0.5562(4) 0.32662(19) 0.0260(11) Uani 1 1 d . . .
H14 H 0.6369 0.5270 0.3144 0.031 Uiso 1 1 calc R . .
C15 C 0.5807(4) 0.6027(3) 0.18950(17) 0.0186(9) Uani 1 1 d . . .
C16 C 0.5658(5) 0.6952(4) 0.16377(18) 0.0241(11) Uani 1 1 d . . .
H16 H 0.4859 0.7248 0.1555 0.029 Uiso 1 1 calc R . .
C17 C 0.6677(5) 0.7437(4) 0.1504(2) 0.0298(12) Uani 1 1 d . . .
H17 H 0.6572 0.8069 0.1329 0.036 Uiso 1 1 calc R . .
C18 C 0.7836(5) 0.7024(4) 0.1619(2) 0.0316(12) Uani 1 1 d . . .
H18 H 0.8530 0.7370 0.1528 0.038 Uiso 1 1 calc R . .
C19 C 0.7990(5) 0.6101(4) 0.1867(2) 0.0337(12) Uani 1 1 d . . .
H19 H 0.8791 0.5807 0.1939 0.040 Uiso 1 1 calc R . .
C20 C 0.6998(5) 0.5605(4) 0.2008(2) 0.0274(11) Uani 1 1 d . . .
H20 H 0.7115 0.4975 0.2184 0.033 Uiso 1 1 calc R . .
C21 C 0.1293(4) 0.6703(3) 0.10744(17) 0.0166(9) Uani 1 1 d . . .
C22 C 0.0176(4) 0.6669(3) 0.06796(18) 0.0208(10) Uani 1 1 d . . .
H22 H -0.0176 0.6050 0.0552 0.025 Uiso 1 1 calc R . .
C23 C -0.0410(5) 0.7525(4) 0.0477(2) 0.0266(11) Uani 1 1 d . . .
H23 H -0.1172 0.7497 0.0214 0.032 Uiso 1 1 calc R . .
C24 C 0.0111(5) 0.8435(3) 0.06566(18) 0.0229(10) Uani 1 1 d . . .
H24 H -0.0293 0.9028 0.0514 0.028 Uiso 1 1 calc R . .
C25 C 0.1215(5) 0.8474(3) 0.10417(19) 0.0223(10) Uani 1 1 d . . .
H25 H 0.1571 0.9093 0.1164 0.027 Uiso 1 1 calc R . .
C26 C 0.1802(4) 0.7612(3) 0.12491(18) 0.0203(10) Uani 1 1 d . . .
H26 H 0.2562 0.7642 0.1514 0.024 Uiso 1 1 calc R . .
C27 C 0.2633(4) 0.5159(3) 0.0640(2) 0.0198(10) Uani 1 1 d . . .
C28 C 0.2808(5) 0.4153(4) 0.0540(2) 0.0279(11) Uani 1 1 d . . .
H28 H 0.2629 0.3671 0.0804 0.034 Uiso 1 1 calc R . .
C29 C 0.3247(5) 0.3870(4) 0.0048(2) 0.0324(12) Uani 1 1 d . . .
H29 H 0.3368 0.3190 -0.0022 0.039 Uiso 1 1 calc R . .
C30 C 0.3507(5) 0.4558(4) -0.0336(2) 0.0330(12) Uani 1 1 d . . .
H30 H 0.3802 0.4355 -0.0671 0.040 Uiso 1 1 calc R . .
C31 C 0.3340(5) 0.5550(4) -0.0235(2) 0.0333(12) Uani 1 1 d . . .
H31 H 0.3528 0.6029 -0.0499 0.040 Uiso 1 1 calc R . .
C32 C 0.2902(4) 0.5842(3) 0.0244(2) 0.0248(11) Uani 1 1 d . . .
H32 H 0.2780 0.6524 0.0307 0.030 Uiso 1 1 calc R . .
C33 C 0.1075(5) 0.4687(4) 0.1490(2) 0.0320(13) Uani 1 1 d . . .
C34 C 0.1079(6) 0.4547(5) 0.2067(3) 0.0439(15) Uani 1 1 d . . .
H34 H 0.1659 0.4883 0.2346 0.053 Uiso 1 1 calc R . .
C35 C 0.0202(7) 0.3892(6) 0.2231(4) 0.070(2) Uani 1 1 d . . .
H35 H 0.0197 0.3778 0.2626 0.084 Uiso 1 1 calc R . .
C36 C -0.0647(7) 0.3419(6) 0.1821(5) 0.083(3) Uani 1 1 d . . .
H36 H -0.1244 0.2988 0.1934 0.099 Uiso 1 1 calc R . .
C37 C -0.0634(6) 0.3567(4) 0.1255(4) 0.061(2) Uani 1 1 d . . .
H37 H -0.1223 0.3233 0.0978 0.073 Uiso 1 1 calc R . .
C38 C 0.0212(5) 0.4189(4) 0.1076(3) 0.0385(14) Uani 1 1 d . . .
H38 H 0.0215 0.4281 0.0680 0.046 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'
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'
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
C2 Pt C2 180.000(1) . 3_566
C2 Pt C1 88.54(17) . 3_566
C2 Pt C1 91.46(17) 3_566 3_566
C2 Pt C1 91.46(17) . .
C2 Pt C1 88.54(17) 3_566 .
C1 Pt C1 180.0 3_566 .
C2 Pt S 87.0(5) . 3_566
C2 Pt S 93.0(5) 3_566 3_566
C1 Pt S 90.7(5) 3_566 3_566
C1 Pt S 89.3(5) . 3_566
C2 Pt S 93.0(5) . .
C2 Pt S 87.0(5) 3_566 .
C1 Pt S 89.3(5) 3_566 .
C1 Pt S 90.7(5) . .
S Pt S 180.000(3) 3_566 .
C2 Pt Cl1 86.7(4) . 3_566
C2 Pt Cl1 93.3(4) 3_566 3_566
C1 Pt Cl1 91.0(4) 3_566 3_566
C1 Pt Cl1 89.0(4) . 3_566
S Pt Cl1 0.5(10) 3_566 3_566
S Pt Cl1 179.5(10) . 3_566
C2 Pt Cl1 93.3(4) . .
C2 Pt Cl1 86.7(4) 3_566 .
C1 Pt Cl1 89.0(4) 3_566 .
C1 Pt Cl1 91.0(4) . .
S Pt Cl1 179.5(10) 3_566 .
S Pt Cl1 0.5(10) . .
Cl1 Pt Cl1 180.000(3) 3_566 .
O' S O 77.5(14) . .
O' S Cl2 123.4(12) . .
O S Cl2 111.8(11) . .
O' S Pt 118.3(12) . .
O S Pt 119.5(10) . .
Cl2 S Pt 105.0(8) . .
S O O' 49.5(8) . .
S O' O 53.0(9) . .
F2 C1 F3 109.2(4) . .
F2 C1 F1 99.1(4) . .
F3 C1 F1 100.2(4) . .
F2 C1 Pt 114.7(3) . .
F3 C1 Pt 117.8(3) . .
F1 C1 Pt 113.4(3) . .
F6 C2 F6' 34.5(4) . .
F6 C2 F6" 43.3(5) . .
F6' C2 F6" 77.8(6) . .
F6 C2 F5 108.7(5) . .
F6' C2 F5 128.0(6) . .
F6" C2 F5 80.3(6) . .
F6 C2 F5" 122.7(8) . .
F6' C2 F5" 124.2(6) . .
F6" C2 F5" 106.2(5) . .
F5 C2 F5" 27.7(5) . .
F6 C2 F5' 72.7(5) . .
F6' C2 F5' 105.7(5) . .
F6" C2 F5' 33.9(6) . .
F5 C2 F5' 47.4(3) . .
F5" C2 F5' 74.7(6) . .
F6 C2 F4' 115.6(5) . .
F6' C2 F4' 100.6(4) . .
F6" C2 F4' 123.5(7) . .
F5 C2 F4' 56.2(5) . .
F5" C2 F4' 30.4(6) . .
F5' C2 F4' 99.3(4) . .
F6 C2 F4" 58.8(6) . .
F6' C2 F4" 29.6(6) . .
F6" C2 F4" 99.8(5) . .
F5 C2 F4" 113.7(7) . .
F5" C2 F4" 99.0(5) . .
F5' C2 F4" 117.1(7) . .
F4' C2 F4" 71.9(6) . .
F6 C2 F4 101.6(4) . .
F6' C2 F4 71.3(5) . .
F6" C2 F4 138.6(7) . .
F5 C2 F4 97.5(4) . .
F5" C2 F4 71.5(6) . .
F5' C2 F4 134.7(5) . .
F4' C2 F4 41.4(3) . .
F4" C2 F4 43.0(5) . .
F6 C2 Pt 121.5(4) . .
F6' C2 Pt 115.4(4) . .
F6" C2 Pt 110.8(6) . .
F5 C2 Pt 116.4(4) . .
F5" C2 Pt 114.5(6) . .
F5' C2 Pt 113.9(4) . .
F4' C2 Pt 119.7(4) . .
F4" C2 Pt 124.4(6) . .
F4 C2 Pt 107.1(4) . .
N1 P1 C15 111.8(2) . .
N1 P1 C3 114.9(2) . .
C15 P1 C3 107.5(2) . .
N1 P1 C9 107.5(2) . .
C15 P1 C9 107.0(2) . .
C3 P1 C9 107.8(2) . .
N1 P2 C21 106.8(2) . .
N1 P2 C27 115.8(2) . .
C21 P2 C27 105.0(2) . .
N1 P2 C33 112.1(2) . .
C21 P2 C33 108.3(2) . .
C27 P2 C33 108.4(2) . .
P2 N1 P1 140.7(3) . .
C8 C3 C4 119.2(4) . .
C8 C3 P1 120.1(3) . .
C4 C3 P1 120.6(4) . .
C5 C4 C3 120.5(5) . .
C5 C4 H4 119.8 . .
C3 C4 H4 119.8 . .
C4 C5 C6 119.6(5) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C7 C6 C5 120.1(5) . .
C7 C6 H6 119.9 . .
C5 C6 H6 119.9 . .
C8 C7 C6 120.6(5) . .
C8 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
C7 C8 C3 120.0(4) . .
C7 C8 H8 120.0 . .
C3 C8 H8 120.0 . .
C10 C9 C14 119.9(4) . .
C10 C9 P1 119.7(4) . .
C14 C9 P1 120.4(3) . .
C11 C10 C9 119.8(5) . .
C11 C10 H10 120.1 . .
C9 C10 H10 120.1 . .
C12 C11 C10 120.2(5) . .
C12 C11 H11 119.9 . .
C10 C11 H11 119.9 . .
C13 C12 C11 120.5(5) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C12 C13 C14 120.3(5) . .
C12 C13 H13 119.8 . .
C14 C13 H13 119.8 . .
C9 C14 C13 119.3(5) . .
C9 C14 H14 120.4 . .
C13 C14 H14 120.4 . .
C16 C15 C20 118.9(4) . .
C16 C15 P1 119.2(4) . .
C20 C15 P1 121.7(4) . .
C17 C16 C15 119.6(5) . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C18 C17 C16 121.2(5) . .
C18 C17 H17 119.4 . .
C16 C17 H17 119.4 . .
C17 C18 C19 119.7(5) . .
C17 C18 H18 120.2 . .
C19 C18 H18 120.2 . .
C20 C19 C18 120.5(5) . .
C20 C19 H19 119.8 . .
C18 C19 H19 119.8 . .
C19 C20 C15 120.2(5) . .
C19 C20 H20 119.9 . .
C15 C20 H20 119.9 . .
C26 C21 C22 119.1(4) . .
C26 C21 P2 120.3(3) . .
C22 C21 P2 120.1(3) . .
C23 C22 C21 120.2(4) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
C22 C23 C24 120.2(4) . .
C22 C23 H23 119.9 . .
C24 C23 H23 119.9 . .
C25 C24 C23 119.8(4) . .
C25 C24 H24 120.1 . .
C23 C24 H24 120.1 . .
C24 C25 C26 120.1(4) . .
C24 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C25 C26 C21 120.6(4) . .
C25 C26 H26 119.7 . .
C21 C26 H26 119.7 . .
C32 C27 C28 118.8(4) . .
C32 C27 P2 119.2(3) . .
C28 C27 P2 121.9(4) . .
C29 C28 C27 119.1(5) . .
C29 C28 H28 120.4 . .
C27 C28 H28 120.4 . .
C30 C29 C28 120.9(5) . .
C30 C29 H29 119.5 . .
C28 C29 H29 119.5 . .
C29 C30 C31 119.8(5) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C32 C31 C30 120.1(5) . .
C32 C31 H31 120.0 . .
C30 C31 H31 120.0 . .
C31 C32 C27 121.2(4) . .
C31 C32 H32 119.4 . .
C27 C32 H32 119.4 . .
C34 C33 C38 120.7(5) . .
C34 C33 P2 118.3(5) . .
C38 C33 P2 120.9(4) . .
C33 C34 C35 118.6(7) . .
C33 C34 H34 120.7 . .
C35 C34 H34 120.7 . .
C36 C35 C34 120.1(7) . .
C36 C35 H35 119.9 . .
C34 C35 H35 119.9 . .
C37 C36 C35 120.3(7) . .
C37 C36 H36 119.8 . .
C35 C36 H36 119.8 . .
C36 C37 C38 121.5(7) . .
C36 C37 H37 119.3 . .
C38 C37 H37 119.3 . .
C37 C38 C33 118.8(6) . .
C37 C38 H38 120.6 . .
C33 C38 H38 120.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pt C2 2.103(5) .
Pt C2 2.103(5) 3_566
Pt C1 2.110(5) 3_566
Pt C1 2.110(5) .
Pt S 2.220(10) 3_566
Pt S 2.220(10) .
Pt Cl1 2.574(9) 3_566
Pt Cl1 2.574(9) .
S O' 1.22(2) .
S O 1.28(2) .
S Cl2 2.17(2) .
O O' 1.565(19) .
C1 F2 1.333(5) .
C1 F3 1.333(5) .
C1 F1 1.387(5) .
C2 F6 1.333(5) .
C2 F6' 1.343(5) .
C2 F6" 1.343(5) .
C2 F5 1.349(5) .
C2 F5" 1.351(5) .
C2 F5' 1.353(5) .
C2 F4' 1.390(5) .
C2 F4" 1.393(5) .
C2 F4 1.396(5) .
P1 N1 1.593(4) .
P1 C15 1.800(5) .
P1 C3 1.801(5) .
P1 C9 1.801(4) .
P2 N1 1.575(4) .
P2 C21 1.797(4) .
P2 C27 1.800(5) .
P2 C33 1.821(5) .
C3 C8 1.387(6) .
C3 C4 1.395(6) .
C4 C5 1.379(7) .
C4 H4 0.9500 .
C5 C6 1.382(7) .
C5 H5 0.9500 .
C6 C7 1.378(7) .
C6 H6 0.9500 .
C7 C8 1.375(7) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C10 1.384(6) .
C9 C14 1.393(6) .
C10 C11 1.383(7) .
C10 H10 0.9500 .
C11 C12 1.379(8) .
C11 H11 0.9500 .
C12 C13 1.364(8) .
C12 H12 0.9500 .
C13 C14 1.395(6) .
C13 H13 0.9500 .
C14 H14 0.9500 .
C15 C16 1.393(6) .
C15 C20 1.404(6) .
C16 C17 1.379(7) .
C16 H16 0.9500 .
C17 C18 1.369(7) .
C17 H17 0.9500 .
C18 C19 1.381(7) .
C18 H18 0.9500 .
C19 C20 1.369(7) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C26 1.385(6) .
C21 C22 1.403(6) .
C22 C23 1.371(6) .
C22 H22 0.9500 .
C23 C24 1.394(7) .
C23 H23 0.9500 .
C24 C25 1.380(7) .
C24 H24 0.9500 .
C25 C26 1.382(6) .
C25 H25 0.9500 .
C26 H26 0.9500 .
C27 C32 1.388(6) .
C27 C28 1.404(6) .
C28 C29 1.394(7) .
C28 H28 0.9500 .
C29 C30 1.371(8) .
C29 H29 0.9500 .
C30 C31 1.384(8) .
C30 H30 0.9500 .
C31 C32 1.370(7) .
C31 H31 0.9500 .
C32 H32 0.9500 .
C33 C34 1.381(8) .
C33 C38 1.409(8) .
C34 C35 1.412(9) .
C34 H34 0.9500 .
C35 C36 1.380(11) .
C35 H35 0.9500 .
C36 C37 1.360(11) .
C36 H36 0.9500 .
C37 C38 1.375(8) .
C37 H37 0.9500 .
C38 H38 0.9500 .
