#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:44:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179260 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/80/4318058.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_4318058
loop_
_publ_author_name
'Rubén Mas-Ballesté'
'Mercè Capdevila'
'Paul A. Champkin'
'William Clegg'
'Robert A. Coxall'
'Agustí Lledós'
'Claire Mégret'
'Pilar González-Duarte'
_publ_section_title
;
 Diverse Evolution of [{Ph2P(CH2)nPPh2}Pt(μ-S)2Pt{Ph2P(CH2)nPPh2}] (n= 2,
 3) Metalloligands in CH2Cl2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3218
_journal_page_last               3229
_journal_paper_doi               10.1021/ic0107173
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C57 H58 O P4 Pt2 S2'
_chemical_formula_weight         1337.21
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 101.470(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.025(8)
_cell_length_b                   14.753(5)
_cell_length_c                   16.502(5)
_cell_measurement_temperature    160(2)
_cell_volume                     5255(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.879
_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  0.0758
_diffrn_reflns_av_sigmaI/netI    0.1065
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29847
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.53
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    5.559
_exptl_absorpt_correction_T_max  0.4027
_exptl_absorpt_correction_T_min  0.1121
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.835
_refine_diff_density_min         -1.554
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.765
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     597
_refine_ls_number_reflns         11754
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.765
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0305
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0118P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0543
_reflns_number_gt                7867
_reflns_number_total             11754
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0107173_1.cif
_cod_data_source_block           compound_1
_cod_database_code               4318058
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Pt1 Pt 0.278754(9) 0.667115(13) 0.148620(11) 0.01639(5) Uani 1 1 d . . .
Pt2 Pt 0.231990(9) 0.522002(14) 0.269831(11) 0.01647(5) Uani 1 1 d . . .
S1 S 0.32800(6) 0.58692(9) 0.26657(7) 0.0189(3) Uani 1 1 d . . .
S2 S 0.19432(6) 0.66183(9) 0.21494(7) 0.0203(3) Uani 1 1 d . . .
P1 P 0.22303(6) 0.74723(9) 0.04171(8) 0.0209(3) Uani 1 1 d . . .
C1 C 0.1754(2) 0.6748(4) -0.0367(3) 0.0217(12) Uani 1 1 d . . .
C2 C 0.1493(2) 0.5954(4) -0.0134(3) 0.0249(13) Uani 1 1 d . . .
H2 H 0.1556 0.5796 0.0434 0.030 Uiso 1 1 calc R . .
C3 C 0.1145(2) 0.5396(4) -0.0717(3) 0.0319(14) Uani 1 1 d . . .
H3 H 0.0960 0.4864 -0.0549 0.038 Uiso 1 1 calc R . .
C4 C 0.1064(2) 0.5610(4) -0.1550(3) 0.0350(15) Uani 1 1 d . . .
H4 H 0.0835 0.5216 -0.1954 0.042 Uiso 1 1 calc R . .
C5 C 0.1318(3) 0.6399(4) -0.1787(3) 0.0402(17) Uani 1 1 d . . .
H5 H 0.1252 0.6554 -0.2357 0.048 Uiso 1 1 calc R . .
C6 C 0.1665(2) 0.6962(4) -0.1213(3) 0.0311(14) Uani 1 1 d . . .
H6 H 0.1844 0.7496 -0.1386 0.037 Uiso 1 1 calc R . .
C7 C 0.1655(2) 0.8295(4) 0.0636(3) 0.0272(13) Uani 1 1 d . . .
C8 C 0.0651(3) 0.8607(5) 0.0930(3) 0.0418(17) Uani 1 1 d . . .
H8 H 0.0268 0.8391 0.1036 0.050 Uiso 1 1 calc R . .
C9 C 0.1092(2) 0.7999(4) 0.0781(3) 0.0311(14) Uani 1 1 d . . .
H9 H 0.1006 0.7368 0.0777 0.037 Uiso 1 1 calc R . .
C10 C 0.0763(3) 0.9533(5) 0.0928(4) 0.0499(19) Uani 1 1 d . . .
H10 H 0.0457 0.9953 0.1022 0.060 Uiso 1 1 calc R . .
C11 C 0.1317(3) 0.9829(5) 0.0789(4) 0.0566(19) Uani 1 1 d . . .
H11 H 0.1398 1.0462 0.0791 0.068 Uiso 1 1 calc R . .
C12 C 0.1772(3) 0.9224(4) 0.0644(3) 0.0407(16) Uani 1 1 d . . .
H12 H 0.2158 0.9444 0.0551 0.049 Uiso 1 1 calc R . .
C13 C 0.2701(2) 0.8160(3) -0.0143(3) 0.0220(12) Uani 1 1 d . . .
H13A H 0.2425 0.8453 -0.0617 0.026 Uiso 1 1 calc R . .
H13B H 0.2902 0.8647 0.0229 0.026 Uiso 1 1 calc R . .
C14 C 0.3193(2) 0.7645(4) -0.0460(3) 0.0253(13) Uani 1 1 d . . .
H14A H 0.3326 0.8005 -0.0900 0.030 Uiso 1 1 calc R . .
H14B H 0.3014 0.7070 -0.0710 0.030 Uiso 1 1 calc R . .
C15 C 0.3765(2) 0.7429(4) 0.0218(3) 0.0260(13) Uani 1 1 d . . .
H15A H 0.3887 0.7980 0.0553 0.031 Uiso 1 1 calc R . .
H15B H 0.4114 0.7259 -0.0047 0.031 Uiso 1 1 calc R . .
P2 P 0.36235(6) 0.65089(9) 0.08999(7) 0.0193(3) Uani 1 1 d . . .
C16 C 0.4377(2) 0.6328(4) 0.1580(3) 0.0210(12) Uani 1 1 d . . .
C17 C 0.4790(2) 0.7033(4) 0.1803(3) 0.0341(15) Uani 1 1 d . . .
H17 H 0.4693 0.7623 0.1585 0.041 Uiso 1 1 calc R . .
C18 C 0.5352(2) 0.6872(5) 0.2354(3) 0.0377(16) Uani 1 1 d . . .
H18 H 0.5638 0.7355 0.2503 0.045 Uiso 1 1 calc R . .
C19 C 0.5492(3) 0.6033(5) 0.2677(3) 0.0405(17) Uani 1 1 d . . .
H19 H 0.5869 0.5934 0.3059 0.049 Uiso 1 1 calc R . .
C20 C 0.5086(2) 0.5330(4) 0.2450(3) 0.0359(15) Uani 1 1 d . . .
H20 H 0.5190 0.4739 0.2662 0.043 Uiso 1 1 calc R . .
C21 C 0.4524(2) 0.5476(4) 0.1911(3) 0.0291(14) Uani 1 1 d . . .
H21 H 0.4240 0.4989 0.1769 0.035 Uiso 1 1 calc R . .
C22 C 0.3562(2) 0.5535(3) 0.0207(3) 0.0156(11) Uani 1 1 d . . .
C23 C 0.3012(2) 0.5090(4) -0.0050(3) 0.0236(12) Uani 1 1 d . . .
H23 H 0.2664 0.5254 0.0177 0.028 Uiso 1 1 calc R . .
C24 C 0.2952(3) 0.4404(4) -0.0636(3) 0.0320(14) Uani 1 1 d . . .
H24 H 0.2562 0.4119 -0.0819 0.038 Uiso 1 1 calc R . .
C25 C 0.3460(3) 0.4134(4) -0.0955(3) 0.0357(15) Uani 1 1 d . . .
H25 H 0.3422 0.3657 -0.1349 0.043 Uiso 1 1 calc R . .
C26 C 0.4020(3) 0.4560(4) -0.0697(3) 0.0325(14) Uani 1 1 d . . .
H26 H 0.4368 0.4382 -0.0919 0.039 Uiso 1 1 calc R . .
C27 C 0.4080(2) 0.5241(4) -0.0118(3) 0.0281(13) Uani 1 1 d . . .
H27 H 0.4472 0.5519 0.0066 0.034 Uiso 1 1 calc R . .
P3 P 0.13513(6) 0.46935(10) 0.25199(8) 0.0207(3) Uani 1 1 d . . .
C28 C 0.0747(2) 0.5515(4) 0.2591(3) 0.0236(12) Uani 1 1 d . . .
C29 C 0.0357(2) 0.5875(4) 0.1917(3) 0.0329(14) Uani 1 1 d . . .
H29 H 0.0398 0.5698 0.1377 0.039 Uiso 1 1 calc R . .
C30 C -0.0094(3) 0.6486(4) 0.2011(3) 0.0405(16) Uani 1 1 d . . .
H30 H -0.0362 0.6722 0.1535 0.049 Uiso 1 1 calc R . .
C31 C -0.0162(2) 0.6762(4) 0.2782(4) 0.0363(15) Uani 1 1 d . . .
H31 H -0.0481 0.7173 0.2847 0.044 Uiso 1 1 calc R . .
C32 C 0.0246(3) 0.6425(4) 0.3464(3) 0.0405(16) Uani 1 1 d . . .
H32 H 0.0218 0.6628 0.4002 0.049 Uiso 1 1 calc R . .
C33 C 0.0688(2) 0.5807(4) 0.3376(3) 0.0310(14) Uani 1 1 d . . .
H33 H 0.0958 0.5573 0.3852 0.037 Uiso 1 1 calc R . .
C34 C 0.1105(2) 0.4094(4) 0.1537(3) 0.0235(12) Uani 1 1 d . . .
C35 C 0.1557(3) 0.3806(4) 0.1114(3) 0.0340(15) Uani 1 1 d . . .
H35 H 0.1970 0.4020 0.1284 0.041 Uiso 1 1 calc R . .
C36 C 0.1420(3) 0.3214(4) 0.0452(3) 0.0387(15) Uani 1 1 d . . .
H36 H 0.1739 0.3004 0.0187 0.046 Uiso 1 1 calc R . .
C37 C 0.0824(3) 0.2935(4) 0.0183(3) 0.0456(18) Uani 1 1 d . . .
H37 H 0.0727 0.2520 -0.0264 0.055 Uiso 1 1 calc R . .
C38 C 0.0365(3) 0.3253(4) 0.0557(3) 0.0401(16) Uani 1 1 d . . .
H38 H -0.0053 0.3084 0.0346 0.048 Uiso 1 1 calc R . .
C39 C 0.0502(2) 0.3818(4) 0.1240(3) 0.0326(14) Uani 1 1 d . . .
H39 H 0.0180 0.4017 0.1504 0.039 Uiso 1 1 calc R . .
C40 C 0.1204(2) 0.3816(4) 0.3260(3) 0.0287(14) Uani 1 1 d . . .
H40A H 0.1259 0.4088 0.3818 0.034 Uiso 1 1 calc R . .
H40B H 0.0769 0.3611 0.3100 0.034 Uiso 1 1 calc R . .
C41 C 0.1636(2) 0.2988(4) 0.3295(3) 0.0251(12) Uani 1 1 d . . .
H41A H 0.1646 0.2792 0.2724 0.030 Uiso 1 1 calc R . .
H41B H 0.1466 0.2482 0.3575 0.030 Uiso 1 1 calc R . .
C42 C 0.2304(2) 0.3188(4) 0.3756(3) 0.0267(13) Uani 1 1 d . . .
H42A H 0.2524 0.2605 0.3889 0.032 Uiso 1 1 calc R . .
H42B H 0.2285 0.3490 0.4287 0.032 Uiso 1 1 calc R . .
P4 P 0.27621(6) 0.39005(9) 0.31906(8) 0.0187(3) Uani 1 1 d . . .
C43 C 0.2938(2) 0.3159(4) 0.2372(3) 0.0205(12) Uani 1 1 d . . .
C44 C 0.2756(2) 0.2269(4) 0.2267(3) 0.0280(13) Uani 1 1 d . . .
H44 H 0.2536 0.1997 0.2644 0.034 Uiso 1 1 calc R . .
C45 C 0.2892(2) 0.1759(4) 0.1611(3) 0.0359(15) Uani 1 1 d . . .
H45 H 0.2767 0.1143 0.1543 0.043 Uiso 1 1 calc R . .
C46 C 0.3211(3) 0.2162(4) 0.1059(3) 0.0388(16) Uani 1 1 d . . .
H46 H 0.3299 0.1820 0.0609 0.047 Uiso 1 1 calc R . .
C47 C 0.3400(3) 0.3051(4) 0.1159(3) 0.0361(16) Uani 1 1 d . . .
H47 H 0.3628 0.3318 0.0788 0.043 Uiso 1 1 calc R . .
C48 C 0.3254(2) 0.3557(4) 0.1807(3) 0.0293(14) Uani 1 1 d . . .
H48 H 0.3370 0.4177 0.1866 0.035 Uiso 1 1 calc R . .
C49 C 0.3487(2) 0.3979(3) 0.3952(3) 0.0200(12) Uani 1 1 d . . .
C50 C 0.3931(2) 0.3313(4) 0.4037(3) 0.0295(13) Uani 1 1 d . . .
H50 H 0.3881 0.2816 0.3663 0.035 Uiso 1 1 calc R . .
C51 C 0.4448(2) 0.3361(4) 0.4657(3) 0.0378(15) Uani 1 1 d . . .
H51 H 0.4757 0.2905 0.4704 0.045 Uiso 1 1 calc R . .
C52 C 0.4519(2) 0.4074(4) 0.5213(3) 0.0336(15) Uani 1 1 d . . .
H52 H 0.4872 0.4098 0.5649 0.040 Uiso 1 1 calc R . .
C53 C 0.4086(2) 0.4734(4) 0.5137(3) 0.0317(14) Uani 1 1 d . . .
H53 H 0.4140 0.5228 0.5514 0.038 Uiso 1 1 calc R . .
C54 C 0.3559(2) 0.4693(4) 0.4509(3) 0.0261(12) Uani 1 1 d . . .
H54 H 0.3252 0.5152 0.4463 0.031 Uiso 1 1 calc R . .
O1 O 0.3543(3) 0.5847(4) 0.6687(3) 0.103(2) Uani 1 1 d . . .
C56 C 0.3435(4) 0.6125(5) 0.7329(4) 0.065(2) Uani 1 1 d . . .
C57 C 0.3913(3) 0.6645(5) 0.7926(4) 0.065(2) Uani 1 1 d . . .
H57A H 0.4314 0.6600 0.7758 0.097 Uiso 1 1 calc R . .
H57B H 0.3947 0.6392 0.8483 0.097 Uiso 1 1 calc R . .
H57C H 0.3789 0.7283 0.7928 0.097 Uiso 1 1 calc R . .
C55 C 0.2832(4) 0.6000(5) 0.7584(4) 0.067(2) Uani 1 1 d . . .
H55A H 0.2604 0.6576 0.7525 0.100 Uiso 1 1 calc R . .
H55B H 0.2903 0.5803 0.8162 0.100 Uiso 1 1 calc R . .
H55C H 0.2588 0.5540 0.7232 0.100 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'
O O 0.0106 0.0060 '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
P2 Pt1 P1 94.77(5) . . ?
P2 Pt1 S2 171.68(5) . . ?
P1 Pt1 S2 91.35(5) . . ?
P2 Pt1 S1 91.15(5) . . ?
P1 Pt1 S1 174.05(5) . . ?
S2 Pt1 S1 82.80(5) . . ?
P2 Pt1 Pt2 125.60(4) . . ?
P1 Pt1 Pt2 129.46(4) . . ?
S2 Pt1 Pt2 46.22(3) . . ?
S1 Pt1 Pt2 46.06(3) . . ?
P3 Pt2 P4 94.59(5) . . ?
P3 Pt2 S1 170.52(4) . . ?
P4 Pt2 S1 91.96(5) . . ?
P3 Pt2 S2 89.98(5) . . ?
P4 Pt2 S2 174.92(5) . . ?
S1 Pt2 S2 83.24(5) . . ?
P3 Pt2 Pt1 124.18(4) . . ?
P4 Pt2 Pt1 128.78(4) . . ?
S1 Pt2 Pt1 46.54(3) . . ?
S2 Pt2 Pt1 46.26(3) . . ?
Pt2 S1 Pt1 87.40(4) . . ?
Pt2 S2 Pt1 87.52(4) . . ?
C13 P1 C1 105.6(2) . . ?
C13 P1 C7 102.4(2) . . ?
C1 P1 C7 101.7(2) . . ?
C13 P1 Pt1 114.09(16) . . ?
C1 P1 Pt1 112.88(17) . . ?
C7 P1 Pt1 118.50(16) . . ?
C2 C1 C6 118.6(5) . . ?
C2 C1 P1 120.3(4) . . ?
C6 C1 P1 121.1(4) . . ?
C3 C2 C1 120.9(5) . . ?
C2 C3 C4 120.0(5) . . ?
C5 C4 C3 119.5(5) . . ?
C6 C5 C4 121.0(5) . . ?
C5 C6 C1 119.9(5) . . ?
C9 C7 C12 118.6(5) . . ?
C9 C7 P1 120.2(4) . . ?
C12 C7 P1 121.1(5) . . ?
C9 C8 C10 120.5(6) . . ?
C8 C9 C7 120.9(6) . . ?
C11 C10 C8 118.9(6) . . ?
C10 C11 C12 121.5(7) . . ?
C7 C12 C11 119.5(6) . . ?
C14 C13 P1 114.6(3) . . ?
C13 C14 C15 113.2(4) . . ?
C14 C15 P2 112.6(3) . . ?
C22 P2 C16 102.4(2) . . ?
C22 P2 C15 101.5(2) . . ?
C16 P2 C15 104.0(2) . . ?
C22 P2 Pt1 112.74(16) . . ?
C16 P2 Pt1 118.07(16) . . ?
C15 P2 Pt1 116.01(18) . . ?
C17 C16 C21 119.2(5) . . ?
C17 C16 P2 121.5(4) . . ?
C21 C16 P2 119.2(4) . . ?
C16 C17 C18 119.7(6) . . ?
C19 C18 C17 120.7(5) . . ?
C18 C19 C20 119.8(5) . . ?
C19 C20 C21 120.4(6) . . ?
C16 C21 C20 120.1(5) . . ?
C23 C22 C27 117.6(5) . . ?
C23 C22 P2 121.6(4) . . ?
C27 C22 P2 120.7(4) . . ?
C22 C23 C24 121.4(5) . . ?
C25 C24 C23 120.1(5) . . ?
C26 C25 C24 119.6(5) . . ?
C27 C26 C25 120.4(5) . . ?
C26 C27 C22 120.8(5) . . ?
C28 P3 C34 106.6(2) . . ?
C28 P3 C40 101.4(2) . . ?
C34 P3 C40 100.7(2) . . ?
C28 P3 Pt2 116.80(17) . . ?
C34 P3 Pt2 113.03(17) . . ?
C40 P3 Pt2 116.36(16) . . ?
C29 C28 C33 118.3(5) . . ?
C29 C28 P3 123.7(4) . . ?
C33 C28 P3 118.0(4) . . ?
C28 C29 C30 120.9(5) . . ?
C29 C30 C31 121.0(5) . . ?
C30 C31 C32 118.2(5) . . ?
C33 C32 C31 121.0(5) . . ?
C32 C33 C28 120.4(5) . . ?
C39 C34 C35 117.7(5) . . ?
C39 C34 P3 123.4(4) . . ?
C35 C34 P3 118.4(4) . . ?
C36 C35 C34 121.5(5) . . ?
C37 C36 C35 119.6(6) . . ?
C36 C37 C38 119.9(6) . . ?
C37 C38 C39 120.9(5) . . ?
C34 C39 C38 120.3(5) . . ?
C41 C40 P3 113.0(3) . . ?
C40 C41 C42 112.8(4) . . ?
C41 C42 P4 115.1(3) . . ?
C49 P4 C42 100.4(2) . . ?
C49 P4 C43 105.0(2) . . ?
C42 P4 C43 104.5(2) . . ?
C49 P4 Pt2 116.63(17) . . ?
C42 P4 Pt2 115.87(17) . . ?
C43 P4 Pt2 112.82(16) . . ?
C44 C43 C48 119.2(5) . . ?
C44 C43 P4 124.2(4) . . ?
C48 C43 P4 116.5(4) . . ?
C43 C44 C45 120.7(5) . . ?
C46 C45 C44 119.4(5) . . ?
C47 C46 C45 120.7(5) . . ?
C46 C47 C48 119.4(6) . . ?
C47 C48 C43 120.6(5) . . ?
C50 C49 C54 119.3(4) . . ?
C50 C49 P4 122.1(4) . . ?
C54 C49 P4 118.3(4) . . ?
C51 C50 C49 120.5(5) . . ?
C50 C51 C52 120.0(5) . . ?
C53 C52 C51 120.1(5) . . ?
C52 C53 C54 120.3(5) . . ?
C49 C54 C53 119.7(5) . . ?
O1 C56 C55 123.6(9) . . ?
O1 C56 C57 121.1(9) . . ?
C55 C56 C57 115.3(6) . . ?
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 P2 2.2566(15) . ?
Pt1 P1 2.2704(14) . ?
Pt1 S2 2.3392(14) . ?
Pt1 S1 2.3505(13) . ?
Pt1 Pt2 3.2349(7) . ?
Pt2 P3 2.2342(15) . ?
Pt2 P4 2.2546(15) . ?
Pt2 S1 2.3318(14) . ?
Pt2 S2 2.3379(14) . ?
P1 C13 1.828(5) . ?
P1 C1 1.837(5) . ?
P1 C7 1.841(5) . ?
C1 C2 1.391(7) . ?
C1 C6 1.406(6) . ?
C2 C3 1.379(7) . ?
C3 C4 1.386(7) . ?
C4 C5 1.382(8) . ?
C5 C6 1.372(7) . ?
C7 C9 1.381(7) . ?
C7 C12 1.395(8) . ?
C8 C9 1.380(7) . ?
C8 C10 1.388(9) . ?
C10 C11 1.360(9) . ?
C11 C12 1.397(8) . ?
C13 C14 1.500(6) . ?
C14 C15 1.543(6) . ?
C15 P2 1.830(5) . ?
P2 C22 1.824(5) . ?
P2 C16 1.828(5) . ?
C16 C17 1.383(7) . ?
C16 C21 1.383(7) . ?
C17 C18 1.403(7) . ?
C18 C19 1.359(8) . ?
C19 C20 1.372(8) . ?
C20 C21 1.391(6) . ?
C22 C23 1.369(6) . ?
C22 C27 1.423(7) . ?
C23 C24 1.387(7) . ?
C24 C25 1.386(7) . ?
C25 C26 1.374(7) . ?
C26 C27 1.374(7) . ?
P3 C28 1.820(5) . ?
P3 C34 1.832(5) . ?
P3 C40 1.852(5) . ?
C28 C29 1.370(7) . ?
C28 C33 1.396(7) . ?
C29 C30 1.373(7) . ?
C30 C31 1.373(7) . ?
C31 C32 1.386(7) . ?
C32 C33 1.363(7) . ?
C34 C39 1.384(7) . ?
C34 C35 1.392(7) . ?
C35 C36 1.384(7) . ?
C36 C37 1.363(8) . ?
C37 C38 1.368(8) . ?
C38 C39 1.385(7) . ?
C40 C41 1.543(7) . ?
C41 C42 1.545(6) . ?
C42 P4 1.835(5) . ?
P4 C49 1.828(5) . ?
P4 C43 1.839(5) . ?
C43 C44 1.374(7) . ?
C43 C48 1.398(7) . ?
C44 C45 1.398(7) . ?
C45 C46 1.389(8) . ?
C46 C47 1.377(8) . ?
C47 C48 1.393(7) . ?
C49 C50 1.374(7) . ?
C49 C54 1.385(7) . ?
C50 C51 1.372(6) . ?
C51 C52 1.385(7) . ?
C52 C53 1.351(7) . ?
C53 C54 1.395(6) . ?
O1 C56 1.202(7) . ?
C56 C55 1.483(10) . ?
C56 C57 1.502(10) . ?
