#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:25:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179245 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/65/4316514.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_4316514
loop_
_publ_author_name
'Mehdi Rashidi'
'S. Masoud Nabavizadeh'
'Ahad Zare'
'Sirous Jamali'
'Richard J. Puddephatt'
_publ_contact_author_address     'University of Western Ontario'
_publ_contact_author_email       pudd@uwo.ca
_publ_contact_author_fax         519-661-3022
_publ_contact_author_name        Puddephatt
_publ_contact_author_phone       519-661-2111
_publ_section_title
;
 Associative and Dissociative Mechanisms in the Formation of Phthalazine
 Bridged Organodiplatinum(II) Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8435
_journal_page_last               8443
_journal_paper_doi               10.1021/ic1010067
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C31 H40 P2 Pt2 S, C H2 Cl2'
_chemical_formula_sum            'C32 H42 Cl2 P2 Pt2 S'
_chemical_formula_weight         981.74
_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                108.76(3)
_cell_angle_beta                 93.82(3)
_cell_angle_gamma                108.33(3)
_cell_formula_units_Z            2
_cell_length_a                   9.5833(19)
_cell_length_b                   13.409(3)
_cell_length_c                   14.552(3)
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.04
_cell_volume                     1651.2(8)
_computing_cell_refinement       'DENZO-SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1997-2001)'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL/PC (Sheldrick, 2001)'
_computing_publication_material  SHELXTL/PC
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius Kappa-CCD'
_diffrn_measurement_method       'φ scans, and ω scans with κ offsets'
_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  0.0373
_diffrn_reflns_av_sigmaI/netI    0.0536
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            14332
_diffrn_reflns_theta_full        27.68
_diffrn_reflns_theta_max         27.68
_diffrn_reflns_theta_min         1.50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.806
_exptl_absorpt_correction_T_max  0.3517
_exptl_absorpt_correction_T_min  0.2366
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.998
_refine_diff_density_min         -3.110
_refine_diff_density_rms         0.478
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     354
_refine_ls_number_reflns         7626
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0596
_refine_ls_R_factor_gt           0.0392
_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)+(0.0872P)²+1.1195P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1116
_refine_ls_wR_factor_ref         0.1437
_reflns_number_gt                6003
_reflns_number_total             7626
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic1010067_si_001_1.cif
_cod_data_source_block           complex_1a
_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        1651.2(6)
_cod_database_code               4316514
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 0.76052(3) 0.00108(2) 0.37011(2) 0.01973(11) Uani 1 1 d . . .
S1 S 0.8379(2) 0.02012(17) 0.22329(15) 0.0215(4) Uani 1 1 d . . .
P1 P 0.8393(2) 0.19123(17) 0.44692(15) 0.0186(4) Uani 1 1 d . . .
C1 C 1.0282(9) 0.2654(7) 0.4339(6) 0.0201(16) Uani 1 1 d . . .
Cl1 Cl 0.1924(4) 0.4161(3) 0.9997(2) 0.0614(9) Uani 1 1 d . . .
Pt2 Pt 0.87097(3) 0.18673(2) 0.18763(2) 0.01932(11) Uani 1 1 d . . .
P2 P 0.6811(2) 0.21670(17) 0.26634(15) 0.0182(4) Uani 1 1 d . . .
C2 C 1.0764(9) 0.3715(7) 0.4245(6) 0.0257(18) Uani 1 1 d . . .
H2 H 1.0080 0.4094 0.4227 0.031 Uiso 1 1 calc R . .
Cl2 Cl 0.4109(4) 0.6384(3) 1.0452(3) 0.0712(10) Uani 1 1 d . . .
C3 C 1.2255(11) 0.4213(8) 0.4176(7) 0.036(2) Uani 1 1 d . . .
H3 H 1.2571 0.4924 0.4102 0.043 Uiso 1 1 calc R . .
C4 C 1.3270(10) 0.3691(8) 0.4215(6) 0.031(2) Uani 1 1 d . . .
H4 H 1.4279 0.4044 0.4171 0.037 Uiso 1 1 calc R . .
C5 C 1.2831(10) 0.2661(8) 0.4318(7) 0.031(2) Uani 1 1 d . . .
H5 H 1.3537 0.2307 0.4357 0.038 Uiso 1 1 calc R . .
C6 C 1.1325(10) 0.2130(8) 0.4364(7) 0.030(2) Uani 1 1 d . . .
H6 H 1.1017 0.1406 0.4414 0.036 Uiso 1 1 calc R . .
C7 C 0.8550(9) 0.2520(7) 0.5831(6) 0.0232(17) Uani 1 1 d . . .
C8 C 0.9661(9) 0.2433(7) 0.6413(6) 0.0265(18) Uani 1 1 d . . .
H8 H 1.0264 0.2024 0.6116 0.032 Uiso 1 1 calc R . .
C9 C 0.9909(10) 0.2945(7) 0.7446(6) 0.0270(19) Uani 1 1 d . . .
H9 H 1.0689 0.2893 0.7845 0.032 Uiso 1 1 calc R . .
C10 C 0.9020(9) 0.3523(7) 0.7877(6) 0.0271(19) Uani 1 1 d . . .
H10 H 0.9205 0.3888 0.8574 0.032 Uiso 1 1 calc R . .
C11 C 0.7859(11) 0.3575(8) 0.7301(7) 0.034(2) Uani 1 1 d . . .
H11 H 0.7219 0.3946 0.7601 0.041 Uiso 1 1 calc R . .
C12 C 0.7630(10) 0.3077(8) 0.6271(6) 0.0289(19) Uani 1 1 d . . .
H12 H 0.6842 0.3120 0.5872 0.035 Uiso 1 1 calc R . .
C13 C 0.7177(9) 0.2558(7) 0.4023(6) 0.0220(17) Uani 1 1 d . . .
H13A H 0.7650 0.3388 0.4335 0.026 Uiso 1 1 calc R . .
H13B H 0.6209 0.2332 0.4242 0.026 Uiso 1 1 calc R . .
C14 C 0.5123(8) 0.0913(6) 0.2221(6) 0.0194(16) Uani 1 1 d . . .
C15 C 0.4478(9) 0.0296(7) 0.2793(6) 0.0224(17) Uani 1 1 d . . .
H15 H 0.4838 0.0578 0.3484 0.027 Uiso 1 1 calc R . .
C16 C 0.3320(9) -0.0724(7) 0.2352(7) 0.0274(19) Uani 1 1 d . . .
H16 H 0.2924 -0.1156 0.2741 0.033 Uiso 1 1 calc R . .
C17 C 0.2721(9) -0.1131(7) 0.1356(6) 0.0260(18) Uani 1 1 d . . .
H17 H 0.1912 -0.1830 0.1063 0.031 Uiso 1 1 calc R . .
C18 C 0.3318(9) -0.0506(7) 0.0797(6) 0.0266(19) Uani 1 1 d . . .
H18 H 0.2889 -0.0763 0.0117 0.032 Uiso 1 1 calc R . .
C19 C 0.4519(9) 0.0480(7) 0.1203(6) 0.0238(17) Uani 1 1 d . . .
H19 H 0.4949 0.0877 0.0795 0.029 Uiso 1 1 calc R . .
C20 C 0.6169(9) 0.3312(7) 0.2616(6) 0.0201(16) Uani 1 1 d . . .
C21 C 0.4772(9) 0.3122(7) 0.2114(6) 0.0240(17) Uani 1 1 d . . .
H21 H 0.4096 0.2372 0.1775 0.029 Uiso 1 1 calc R . .
C22 C 0.4360(10) 0.4021(8) 0.2104(7) 0.031(2) Uani 1 1 d . . .
H22 H 0.3406 0.3882 0.1752 0.037 Uiso 1 1 calc R . .
C23 C 0.5304(10) 0.5098(8) 0.2592(7) 0.031(2) Uani 1 1 d . . .
H23 H 0.5001 0.5706 0.2588 0.037 Uiso 1 1 calc R . .
C24 C 0.6709(10) 0.5312(7) 0.3095(7) 0.030(2) Uani 1 1 d . . .
H24 H 0.7378 0.6064 0.3435 0.036 Uiso 1 1 calc R . .
C25 C 0.7113(10) 0.4419(7) 0.3093(6) 0.0257(18) Uani 1 1 d . . .
H25 H 0.8079 0.4566 0.3433 0.031 Uiso 1 1 calc R . .
C26 C 0.9047(12) 0.3248(8) 0.1453(7) 0.037(2) Uani 1 1 d . . .
H26A H 0.8783 0.3823 0.1943 0.055 Uiso 1 1 calc R . .
H26B H 0.8417 0.3014 0.0808 0.055 Uiso 1 1 calc R . .
H26C H 1.0101 0.3561 0.1408 0.055 Uiso 1 1 calc R . .
C27 C 1.0427(10) 0.1621(8) 0.1107(7) 0.032(2) Uani 1 1 d . . .
H27A H 1.0812 0.2230 0.0854 0.048 Uiso 1 1 calc R . .
H27B H 1.0031 0.0896 0.0554 0.048 Uiso 1 1 calc R . .
H27C H 1.1238 0.1621 0.1554 0.048 Uiso 1 1 calc R . .
C28 C 0.6822(10) -0.1758(6) 0.3055(7) 0.0286(19) Uani 1 1 d . . .
H28A H 0.6408 -0.2084 0.3535 0.043 Uiso 1 1 calc R . .
H28B H 0.7653 -0.2004 0.2854 0.043 Uiso 1 1 calc R . .
H28C H 0.6042 -0.2012 0.2474 0.043 Uiso 1 1 calc R . .
C29 C 0.6877(10) -0.0216(8) 0.4952(6) 0.0279(19) Uani 1 1 d . . .
H29A H 0.7090 0.0520 0.5471 0.042 Uiso 1 1 calc R . .
H29B H 0.7400 -0.0637 0.5183 0.042 Uiso 1 1 calc R . .
H29C H 0.5798 -0.0639 0.4794 0.042 Uiso 1 1 calc R . .
C30 C 1.0003(10) -0.0209(9) 0.2120(8) 0.036(2) Uani 1 1 d . . .
H30A H 0.9841 -0.0877 0.2298 0.054 Uiso 1 1 calc R . .
H30B H 1.0884 0.0410 0.2564 0.054 Uiso 1 1 calc R . .
H30C H 1.0166 -0.0383 0.1437 0.054 Uiso 1 1 calc R . .
C31 C 0.7142(10) -0.0938(7) 0.1158(7) 0.031(2) Uani 1 1 d . . .
H31A H 0.7486 -0.0850 0.0560 0.047 Uiso 1 1 calc R . .
H31B H 0.6125 -0.0923 0.1146 0.047 Uiso 1 1 calc R . .
H31C H 0.7143 -0.1658 0.1185 0.047 Uiso 1 1 calc R . .
C32 C 0.3022(15) 0.5115(10) 0.9519(8) 0.056(3) Uani 1 1 d . . .
H32A H 0.3684 0.4780 0.9137 0.068 Uiso 1 1 calc R . .
H32B H 0.2365 0.5261 0.9064 0.068 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'
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
_geom_angle_publ_flag
C29 Pt1 C28 86.2(4) . . ?
C29 Pt1 P1 90.7(3) . . ?
C28 Pt1 P1 176.9(3) . . ?
C29 Pt1 S1 177.9(3) . . ?
C28 Pt1 S1 91.7(3) . . ?
P1 Pt1 S1 91.28(8) . . ?
C31 S1 C30 97.3(5) . . ?
C31 S1 Pt1 110.7(3) . . ?
C30 S1 Pt1 106.7(3) . . ?
C31 S1 Pt2 105.2(3) . . ?
C30 S1 Pt2 111.9(3) . . ?
Pt1 S1 Pt2 122.25(9) . . ?
C1 P1 C13 106.0(4) . . ?
C1 P1 C7 100.6(4) . . ?
C13 P1 C7 102.0(4) . . ?
C1 P1 Pt1 113.8(3) . . ?
C13 P1 Pt1 113.4(3) . . ?
C7 P1 Pt1 119.2(3) . . ?
C6 C1 C2 118.2(7) . . ?
C6 C1 P1 116.7(6) . . ?
C2 C1 P1 125.1(6) . . ?
C26 Pt2 C27 85.0(4) . . ?
C26 Pt2 P2 92.8(3) . . ?
C27 Pt2 P2 177.5(3) . . ?
C26 Pt2 S1 175.1(3) . . ?
C27 Pt2 S1 90.8(3) . . ?
P2 Pt2 S1 91.28(7) . . ?
C14 P2 C20 104.5(3) . . ?
C14 P2 C13 104.9(4) . . ?
C20 P2 C13 98.4(4) . . ?
C14 P2 Pt2 111.4(3) . . ?
C20 P2 Pt2 119.8(3) . . ?
C13 P2 Pt2 116.0(3) . . ?
C3 C2 C1 119.8(8) . . ?
C3 C2 H2 120.1 . . ?
C1 C2 H2 120.1 . . ?
C4 C3 C2 121.2(9) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
C5 C4 C3 120.1(8) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 119.8(9) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C1 C6 C5 120.9(8) . . ?
C1 C6 H6 119.6 . . ?
C5 C6 H6 119.6 . . ?
C8 C7 C12 119.6(8) . . ?
C8 C7 P1 117.5(7) . . ?
C12 C7 P1 122.9(6) . . ?
C7 C8 C9 120.3(8) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C10 C9 C8 119.8(8) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 120.3(8) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C12 119.6(9) . . ?
C10 C11 H11 120.2 . . ?
C12 C11 H11 120.2 . . ?
C7 C12 C11 120.3(8) . . ?
C7 C12 H12 119.8 . . ?
C11 C12 H12 119.8 . . ?
P1 C13 P2 114.4(4) . . ?
P1 C13 H13A 108.7 . . ?
P2 C13 H13A 108.7 . . ?
P1 C13 H13B 108.7 . . ?
P2 C13 H13B 108.7 . . ?
H13A C13 H13B 107.6 . . ?
C15 C14 C19 118.0(7) . . ?
C15 C14 P2 124.8(6) . . ?
C19 C14 P2 116.9(6) . . ?
C16 C15 C14 119.9(8) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 121.4(8) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C18 C17 C16 118.8(8) . . ?
C18 C17 H17 120.6 . . ?
C16 C17 H17 120.6 . . ?
C19 C18 C17 121.1(8) . . ?
C19 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C18 C19 C14 120.6(8) . . ?
C18 C19 H19 119.7 . . ?
C14 C19 H19 119.7 . . ?
C25 C20 C21 117.5(8) . . ?
C25 C20 P2 119.3(6) . . ?
C21 C20 P2 123.2(6) . . ?
C22 C21 C20 120.3(8) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 120.8(8) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 120.2(8) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C25 C24 C23 118.7(8) . . ?
C25 C24 H24 120.7 . . ?
C23 C24 H24 120.7 . . ?
C24 C25 C20 122.5(8) . . ?
C24 C25 H25 118.7 . . ?
C20 C25 H25 118.7 . . ?
Pt2 C26 H26A 109.5 . . ?
Pt2 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Pt2 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Pt2 C27 H27A 109.5 . . ?
Pt2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Pt2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Pt1 C28 H28A 109.5 . . ?
Pt1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Pt1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Pt1 C29 H29A 109.5 . . ?
Pt1 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Pt1 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
S1 C30 H30A 109.5 . . ?
S1 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
S1 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
S1 C31 H31A 109.5 . . ?
S1 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
S1 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Cl2 C32 Cl1 111.7(6) . . ?
Cl2 C32 H32A 109.3 . . ?
Cl1 C32 H32A 109.3 . . ?
Cl2 C32 H32B 109.3 . . ?
Cl1 C32 H32B 109.3 . . ?
H32A C32 H32B 107.9 . . ?
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 C29 2.070(8) . ?
Pt1 C28 2.104(8) . ?
Pt1 P1 2.272(2) . ?
Pt1 S1 2.371(2) . ?
S1 C31 1.806(9) . ?
S1 C30 1.808(9) . ?
S1 Pt2 2.384(2) . ?
P1 C1 1.826(8) . ?
P1 C13 1.851(8) . ?
P1 C7 1.860(8) . ?
C1 C6 1.396(11) . ?
C1 C2 1.407(11) . ?
Cl1 C32 1.745(12) . ?
Pt2 C26 2.072(8) . ?
Pt2 C27 2.102(8) . ?
Pt2 P2 2.286(2) . ?
P2 C14 1.820(8) . ?
P2 C20 1.843(8) . ?
P2 C13 1.854(8) . ?
C2 C3 1.399(13) . ?
C2 H2 0.9500 . ?
Cl2 C32 1.742(12) . ?
C3 C4 1.373(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.371(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.412(12) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.374(12) . ?
C7 C12 1.387(12) . ?
C8 C9 1.404(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.377(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(12) . ?
C10 H10 0.9500 . ?
C11 C12 1.400(13) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.396(11) . ?
C14 C19 1.410(11) . ?
C15 C16 1.378(11) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(12) . ?
C16 H16 0.9500 . ?
C17 C18 1.376(12) . ?
C17 H17 0.9500 . ?
C18 C19 1.368(12) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C25 1.384(11) . ?
C20 C21 1.387(11) . ?
C21 C22 1.385(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.357(13) . ?
C22 H22 0.9500 . ?
C23 C24 1.386(13) . ?
C23 H23 0.9500 . ?
C24 C25 1.369(12) . ?
C24 H24 0.9500 . ?
C25 H25 0.9500 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9900 . ?
C32 H32B 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
C29 Pt1 S1 C31 13(7) . . . . ?
C28 Pt1 S1 C31 33.2(4) . . . . ?
P1 Pt1 S1 C31 -146.3(3) . . . . ?
C29 Pt1 S1 C30 -92(7) . . . . ?
C28 Pt1 S1 C30 -71.5(4) . . . . ?
P1 Pt1 S1 C30 108.9(4) . . . . ?
C29 Pt1 S1 Pt2 138(7) . . . . ?
C28 Pt1 S1 Pt2 158.0(3) . . . . ?
P1 Pt1 S1 Pt2 -21.55(10) . . . . ?
C29 Pt1 P1 C1 132.3(4) . . . . ?
C28 Pt1 P1 C1 140(5) . . . . ?
S1 Pt1 P1 C1 -48.4(3) . . . . ?
C29 Pt1 P1 C13 -106.4(4) . . . . ?
C28 Pt1 P1 C13 -99(5) . . . . ?
S1 Pt1 P1 C13 72.8(3) . . . . ?
C29 Pt1 P1 C7 13.8(4) . . . . ?
C28 Pt1 P1 C7 22(5) . . . . ?
S1 Pt1 P1 C7 -167.0(3) . . . . ?
C13 P1 C1 C6 -162.7(6) . . . . ?
C7 P1 C1 C6 91.3(7) . . . . ?
Pt1 P1 C1 C6 -37.4(7) . . . . ?
C13 P1 C1 C2 19.1(8) . . . . ?
C7 P1 C1 C2 -86.8(8) . . . . ?
Pt1 P1 C1 C2 144.5(6) . . . . ?
C31 S1 Pt2 C26 -52(4) . . . . ?
C30 S1 Pt2 C26 52(4) . . . . ?
Pt1 S1 Pt2 C26 -179(47) . . . . ?
C31 S1 Pt2 C27 -84.5(4) . . . . ?
C30 S1 Pt2 C27 20.1(5) . . . . ?
Pt1 S1 Pt2 C27 148.4(3) . . . . ?
C31 S1 Pt2 P2 94.1(3) . . . . ?
C30 S1 Pt2 P2 -161.4(4) . . . . ?
Pt1 S1 Pt2 P2 -33.11(10) . . . . ?
C26 Pt2 P2 C14 126.0(4) . . . . ?
C27 Pt2 P2 C14 94(6) . . . . ?
S1 Pt2 P2 C14 -51.3(3) . . . . ?
C26 Pt2 P2 C20 3.7(4) . . . . ?
C27 Pt2 P2 C20 -29(6) . . . . ?
S1 Pt2 P2 C20 -173.6(3) . . . . ?
C26 Pt2 P2 C13 -114.2(4) . . . . ?
C27 Pt2 P2 C13 -146(6) . . . . ?
S1 Pt2 P2 C13 68.6(3) . . . . ?
C6 C1 C2 C3 0.2(12) . . . . ?
P1 C1 C2 C3 178.3(7) . . . . ?
C1 C2 C3 C4 -1.0(13) . . . . ?
C2 C3 C4 C5 0.3(14) . . . . ?
C3 C4 C5 C6 1.2(14) . . . . ?
C2 C1 C6 C5 1.3(13) . . . . ?
P1 C1 C6 C5 -176.9(7) . . . . ?
C4 C5 C6 C1 -2.1(14) . . . . ?
C1 P1 C7 C8 -55.8(7) . . . . ?
C13 P1 C7 C8 -164.8(6) . . . . ?
Pt1 P1 C7 C8 69.4(7) . . . . ?
C1 P1 C7 C12 122.3(7) . . . . ?
C13 P1 C7 C12 13.3(8) . . . . ?
Pt1 P1 C7 C12 -112.5(7) . . . . ?
C12 C7 C8 C9 -2.8(12) . . . . ?
P1 C7 C8 C9 175.4(6) . . . . ?
C7 C8 C9 C10 1.0(13) . . . . ?
C8 C9 C10 C11 1.8(13) . . . . ?
C9 C10 C11 C12 -2.7(14) . . . . ?
C8 C7 C12 C11 1.8(13) . . . . ?
P1 C7 C12 C11 -176.2(7) . . . . ?
C10 C11 C12 C7 0.9(14) . . . . ?
C1 P1 C13 P2 73.4(5) . . . . ?
C7 P1 C13 P2 178.3(4) . . . . ?
Pt1 P1 C13 P2 -52.1(5) . . . . ?
C14 P2 C13 P1 90.5(5) . . . . ?
C20 P2 C13 P1 -162.1(5) . . . . ?
Pt2 P2 C13 P1 -32.9(5) . . . . ?
C20 P2 C14 C15 -114.3(7) . . . . ?
C13 P2 C14 C15 -11.3(8) . . . . ?
Pt2 P2 C14 C15 115.0(7) . . . . ?
C20 P2 C14 C19 72.3(7) . . . . ?
C13 P2 C14 C19 175.2(6) . . . . ?
Pt2 P2 C14 C19 -58.5(6) . . . . ?
C19 C14 C15 C16 2.2(11) . . . . ?
P2 C14 C15 C16 -171.2(6) . . . . ?
C14 C15 C16 C17 -3.3(13) . . . . ?
C15 C16 C17 C18 1.0(13) . . . . ?
C16 C17 C18 C19 2.5(13) . . . . ?
C17 C18 C19 C14 -3.6(13) . . . . ?
C15 C14 C19 C18 1.2(12) . . . . ?
P2 C14 C19 C18 175.1(7) . . . . ?
C14 P2 C20 C25 166.7(7) . . . . ?
C13 P2 C20 C25 58.9(7) . . . . ?
Pt2 P2 C20 C25 -67.7(7) . . . . ?
C14 P2 C20 C21 -13.8(8) . . . . ?
C13 P2 C20 C21 -121.6(7) . . . . ?
Pt2 P2 C20 C21 111.9(7) . . . . ?
C25 C20 C21 C22 -0.3(12) . . . . ?
P2 C20 C21 C22 -179.8(7) . . . . ?
C20 C21 C22 C23 -0.7(13) . . . . ?
C21 C22 C23 C24 1.0(14) . . . . ?
C22 C23 C24 C25 -0.4(14) . . . . ?
C23 C24 C25 C20 -0.6(14) . . . . ?
C21 C20 C25 C24 0.9(13) . . . . ?
P2 C20 C25 C24 -179.6(7) . . . . ?
