#------------------------------------------------------------------------------
#$Date: 2018-08-11 17:04:49 +0200 (Sat 11 de Aug de 2018) $
#$Revision: 209574 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/06/7000689.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_7000689
loop_
_publ_author_name
'Shin, Kyong-Soon'
'Son, Kyung-In'
'Kim, Jae Il'
'Hong, Chang Seop'
'Suh, Myungkoo'
'Noh, Dong-Youn'
_publ_section_title
;
 Heteroleptic binuclear palladium(II) and platinum(II) complexes
 containing 1,2-bis(diphenylphosphino)acetylene and
 1,2-benzenedithiolates: syntheses, crystal structures,
 electrochemistry and photoluminescence properties
;
_journal_coden_ASTM              DTARAF
_journal_issue                   10
_journal_name_full               'Dalton Transactions'
_journal_page_first              1767
_journal_page_last               1775
_journal_paper_doi               10.1039/b815013c
_journal_year                    2009
_chemical_formula_sum            'C64 H46 Cl4 O P4 Pt2 S4'
_chemical_formula_weight         1615.11
_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     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.554(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   42.3763(16)
_cell_length_b                   11.0230(4)
_cell_length_c                   31.0144(12)
_cell_measurement_temperature    293(2)
_cell_volume                     12725.1(9)
_computing_cell_refinement       'Bruker SMART APEXll'
_computing_data_collection       'Bruker SMART APEXll'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    WingX
_computing_publication_material  WingX
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXTL
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'omega & phi scan'
_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  0.0665
_diffrn_reflns_av_sigmaI/netI    0.0961
_diffrn_reflns_limit_h_max       51
_diffrn_reflns_limit_h_min       -56
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            59345
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    4.833
_exptl_absorpt_correction_T_max  0.7537
_exptl_absorpt_correction_T_min  0.6017
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.686
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             6288
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         2.192
_refine_diff_density_min         -1.591
_refine_diff_density_rms         0.143
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     764
_refine_ls_number_reflns         15807
_refine_ls_number_restraints     41
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.1235
_refine_ls_R_factor_gt           0.0517
_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)+(0.0454P)²+25.8902P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0963
_refine_ls_wR_factor_ref         0.1187
_reflns_number_gt                8828
_reflns_number_total             15807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B815013c.txt
_cod_data_source_block           pt_cdt_[Pt(Cl2bdt)]2(u-dppa)2
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        12725.1(8)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7000689
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 0.106513(7) 1.01100(2) 0.087086(10) 0.03938(9) Uani 1 1 d . . .
Pt2 Pt 0.139929(8) 0.67754(3) 0.306970(10) 0.04449(9) Uani 1 1 d . A .
S1 S 0.08345(6) 1.19347(18) 0.04908(7) 0.0526(5) Uani 1 1 d . . .
S2 S 0.13280(5) 0.98756(17) 0.03777(7) 0.0487(5) Uani 1 1 d . . .
S3 S 0.10744(5) 0.55314(18) 0.33150(7) 0.0525(5) Uani 1 1 d . . .
S4 S 0.19106(6) 0.5819(2) 0.36367(8) 0.0631(6) Uani 1 1 d . . .
P1 P 0.08312(5) 1.05865(17) 0.13774(7) 0.0427(5) Uani 1 1 d . A .
P2 P 0.12485(5) 0.81978(17) 0.11544(7) 0.0410(4) Uani 1 1 d . A .
P3 P 0.08791(5) 0.77886(18) 0.25644(7) 0.0435(5) Uani 1 1 d . . .
P4 P 0.17609(5) 0.79071(19) 0.28725(7) 0.0474(5) Uani 1 1 d . . .
C1 C 0.08571(19) 0.9492(7) 0.1813(3) 0.0464(18) Uani 1 1 d . . .
C2 C 0.08798(18) 0.8788(7) 0.2118(3) 0.0448(18) Uani 1 1 d . A .
C3 C 0.14797(19) 0.8050(6) 0.1802(3) 0.0452(18) Uani 1 1 d . . .
C4 C 0.16081(19) 0.8004(7) 0.2232(3) 0.0480(19) Uani 1 1 d . A .
C5 C 0.10223(19) 1.2154(7) 0.0102(3) 0.0467(18) Uani 1 1 d . . .
C6 C 0.0967(2) 1.3213(7) -0.0164(3) 0.054(2) Uani 1 1 d . . .
C7 C 0.1115(3) 1.3398(9) -0.0467(3) 0.079(3) Uani 1 1 d . . .
H7 H 0.1075 1.4127 -0.0637 0.094 Uiso 1 1 calc R . .
C8 C 0.1318(3) 1.2530(9) -0.0520(3) 0.084(3) Uani 1 1 d . . .
H8 H 0.1420 1.2656 -0.0724 0.101 Uiso 1 1 calc R . .
C9 C 0.1373(2) 1.1447(8) -0.0267(3) 0.065(2) Uani 1 1 d . . .
C10 C 0.12349(18) 1.1243(7) 0.0052(2) 0.0457(18) Uani 1 1 d . . .
C11 C 0.1403(2) 0.4640(7) 0.3786(3) 0.056(2) Uani 1 1 d . . .
C12 C 0.1306(2) 0.3750(8) 0.4026(3) 0.065(2) Uani 1 1 d . . .
C13 C 0.1557(3) 0.3063(8) 0.4408(4) 0.078(3) Uani 1 1 d . . .
H13 H 0.1486 0.2484 0.4562 0.094 Uiso 1 1 calc R . .
C14 C 0.1915(3) 0.3250(9) 0.4556(4) 0.085(3) Uani 1 1 d . . .
H14 H 0.2087 0.2804 0.4816 0.103 Uiso 1 1 calc R . .
C15 C 0.2020(3) 0.4078(8) 0.4326(3) 0.076(3) Uani 1 1 d . . .
C16 C 0.1769(2) 0.4802(7) 0.3938(3) 0.061(2) Uani 1 1 d . . .
C17 C 0.1042(2) 1.1889(7) 0.1771(3) 0.053(2) Uani 1 1 d . . .
C18 C 0.1303(2) 1.2537(7) 0.1737(3) 0.060(2) Uani 1 1 d . A .
H18 H 0.1376 1.2304 0.1510 0.072 Uiso 1 1 calc R . .
C19 C 0.1460(3) 1.3533(8) 0.2032(4) 0.082(3) Uani 1 1 d . . .
H19 H 0.1641 1.3956 0.2008 0.099 Uiso 1 1 calc R A .
C20 C 0.1351(3) 1.3892(10) 0.2353(5) 0.108(5) Uani 1 1 d . A .
H20 H 0.1451 1.4578 0.2545 0.130 Uiso 1 1 calc R . .
C21 C 0.1096(4) 1.3254(12) 0.2396(4) 0.116(4) Uani 1 1 d . . .
H21 H 0.1021 1.3502 0.2620 0.139 Uiso 1 1 calc R A .
C22 C 0.0943(3) 1.2233(9) 0.2111(3) 0.078(3) Uani 1 1 d . A .
H22 H 0.0773 1.1785 0.2151 0.094 Uiso 1 1 calc R . .
C23 C 0.03519(19) 1.0911(7) 0.1069(2) 0.0461(18) Uani 1 1 d . . .
C24 C 0.0220(2) 1.2058(8) 0.1007(3) 0.068(3) Uani 1 1 d . A .
H24 H 0.0379 1.2708 0.1130 0.082 Uiso 1 1 calc R . .
C25 C -0.0149(2) 1.2276(10) 0.0761(4) 0.079(3) Uani 1 1 d . . .
H25 H -0.0233 1.3067 0.0732 0.095 Uiso 1 1 calc R A .
C26 C -0.0383(3) 1.1372(11) 0.0565(3) 0.075(3) Uani 1 1 d . A .
H26 H -0.0628 1.1528 0.0399 0.090 Uiso 1 1 calc R . .
C27 C -0.0258(3) 1.0219(11) 0.0612(4) 0.088(3) Uani 1 1 d . . .
H27 H -0.0420 0.9585 0.0468 0.106 Uiso 1 1 calc R A .
C28 C 0.0112(2) 0.9969(8) 0.0875(4) 0.075(3) Uani 1 1 d . A .
H28 H 0.0194 0.9173 0.0918 0.090 Uiso 1 1 calc R . .
C29 C 0.1564(2) 0.7437(7) 0.0999(3) 0.0503(19) Uani 1 1 d . . .
C30 C 0.1911(2) 0.7855(11) 0.1220(4) 0.089(3) Uani 1 1 d . A .
H30 H 0.1982 0.8496 0.1442 0.107 Uiso 1 1 calc R . .
C31 C 0.2154(4) 0.7281(18) 0.1100(6) 0.143(6) Uani 1 1 d . . .
H31 H 0.2389 0.7570 0.1233 0.171 Uiso 1 1 calc R A .
C32 C 0.2056(5) 0.6329(18) 0.0798(7) 0.147(7) Uani 1 1 d . A .
H32 H 0.2227 0.5919 0.0746 0.176 Uiso 1 1 calc R . .
C33 C 0.1709(5) 0.5952(12) 0.0565(5) 0.126(5) Uani 1 1 d . . .
H33 H 0.1638 0.5328 0.0336 0.151 Uiso 1 1 calc R A .
C34 C 0.1461(3) 0.6513(9) 0.0673(4) 0.086(3) Uani 1 1 d . A .
H34 H 0.1224 0.6251 0.0521 0.103 Uiso 1 1 calc R . .
C35 C 0.08843(19) 0.7146(6) 0.0978(3) 0.0451(18) Uani 1 1 d . . .
C36 C 0.0548(2) 0.7429(7) 0.0598(3) 0.056(2) Uani 1 1 d . A .
H36 H 0.0510 0.8179 0.0444 0.068 Uiso 1 1 calc R . .
C37 C 0.0267(2) 0.6597(8) 0.0443(3) 0.071(3) Uani 1 1 d . . .
H37 H 0.0039 0.6796 0.0192 0.086 Uiso 1 1 calc R A .
C38 C 0.0328(3) 0.5512(9) 0.0659(4) 0.087(3) Uani 1 1 d . A .
H38 H 0.0142 0.4952 0.0554 0.105 Uiso 1 1 calc R . .
C39 C 0.0665(3) 0.5201(9) 0.1037(4) 0.101(4) Uani 1 1 d . . .
H39 H 0.0705 0.4434 0.1179 0.122 Uiso 1 1 calc R A .
C40 C 0.0938(2) 0.6035(7) 0.1200(4) 0.076(3) Uani 1 1 d . A .
H40 H 0.1161 0.5846 0.1464 0.091 Uiso 1 1 calc R . .
C41 C 0.1809(2) 0.9466(7) 0.3069(3) 0.053(2) Uani 1 1 d . A .
C42 C 0.1895(2) 1.0370(9) 0.2840(3) 0.076(3) Uani 1 1 d . . .
H42 H 0.1925 1.0183 0.2569 0.091 Uiso 1 1 calc R A .
C43 C 0.1936(3) 1.1543(10) 0.3001(4) 0.097(4) Uani 1 1 d . A .
H43 H 0.1995 1.2138 0.2839 0.116 Uiso 1 1 calc R . .
C44 C 0.1894(3) 1.1854(10) 0.3391(5) 0.101(4) Uani 1 1 d . . .
H44 H 0.1921 1.2653 0.3499 0.121 Uiso 1 1 calc R A .
C45 C 0.1810(3) 1.0954(13) 0.3618(5) 0.128(5) Uani 1 1 d . A .
H45 H 0.1782 1.1142 0.3890 0.154 Uiso 1 1 calc R . .
C47A C 0.0496(2) 0.6956(9) 0.2160(4) 0.052(5) Uani 0.582(9) 1 d PGU A 1
C48A C 0.0497(2) 0.5709(9) 0.2094(4) 0.068(4) Uani 0.582(9) 1 d PGU A 1
H48A H 0.0707 0.5267 0.2270 0.082 Uiso 0.582(9) 1 calc PR A 1
C49A C 0.0183(3) 0.5123(8) 0.1764(4) 0.100(7) Uani 0.582(9) 1 d PGU A 1
H49A H 0.0184 0.4288 0.1719 0.121 Uiso 0.582(9) 1 calc PR A 1
C50A C -0.0131(2) 0.5783(10) 0.1500(4) 0.103(7) Uani 0.582(9) 1 d PGU A 1
H50A H -0.0341 0.5391 0.1279 0.123 Uiso 0.582(9) 1 calc PR A 1
C51A C -0.0132(2) 0.7030(10) 0.1566(4) 0.097(6) Uani 0.582(9) 1 d PGU A 1
H51A H -0.0342 0.7472 0.1390 0.116 Uiso 0.582(9) 1 calc PR A 1
C52A C 0.0182(3) 0.7616(7) 0.1896(4) 0.069(5) Uani 0.582(9) 1 d PGU A 1
H52A H 0.0181 0.8451 0.1941 0.083 Uiso 0.582(9) 1 calc PR A 1
C46 C 0.1764(3) 0.9750(10) 0.3453(4) 0.103(4) Uani 1 1 d . . .
H46 H 0.1702 0.9152 0.3611 0.123 Uiso 1 1 calc R A .
C47B C 0.0470(3) 0.6885(13) 0.2206(6) 0.044(7) Uani 0.418(9) 1 d PGU A 2
C48B C 0.0283(4) 0.6332(13) 0.2420(4) 0.057(5) Uani 0.418(9) 1 d PGU A 2
H48B H 0.0355 0.6459 0.2750 0.068 Uiso 0.418(9) 1 calc PR A 2
C49B C -0.0009(3) 0.5589(13) 0.2140(6) 0.063(6) Uani 0.418(9) 1 d PGU A 2
H49B H -0.0133 0.5218 0.2283 0.076 Uiso 0.418(9) 1 calc PR A 2
C50B C -0.0115(4) 0.5399(17) 0.1646(6) 0.18(2) Uiso 0.418(9) 1 d PG A 2
H50B H -0.0311 0.4902 0.1459 0.213 Uiso 0.418(9) 1 calc PR A 2
C51B C 0.0071(5) 0.595(2) 0.1433(5) 0.179(18) Uiso 0.418(9) 1 d PG A 2
H51B H 0.0000 0.5826 0.1102 0.214 Uiso 0.418(9) 1 calc PR A 2
C52B C 0.0363(5) 0.6696(17) 0.1713(6) 0.115(13) Uani 0.418(9) 1 d PGU A 2
H52B H 0.0488 0.7066 0.1570 0.138 Uiso 0.418(9) 1 calc PR A 2
C60 C 0.2282(3) 0.6491(12) 0.2836(4) 0.111(4) Uani 1 1 d . . .
H60 H 0.2095 0.6213 0.2541 0.134 Uiso 1 1 calc R A .
C53B C 0.0780(3) 0.8797(10) 0.2922(4) 0.054(5) Uani 0.506(8) 1 d PGU A 1
C54B C 0.0614(3) 0.8339(9) 0.3182(4) 0.066(5) Uani 0.506(8) 1 d PGU A 1
H54B H 0.0548 0.7527 0.3151 0.079 Uiso 0.506(8) 1 calc PR A 1
C55B C 0.0548(3) 0.9097(12) 0.3487(4) 0.082(6) Uani 0.506(8) 1 d PGU A 1
H55B H 0.0437 0.8791 0.3661 0.098 Uiso 0.506(8) 1 calc PR A 1
C56B C 0.0646(4) 1.0312(11) 0.3534(4) 0.093(9) Uani 0.506(8) 1 d PGU A 1
H56B H 0.0602 1.0819 0.3738 0.112 Uiso 0.506(8) 1 calc PR A 1
C57B C 0.0812(4) 1.0769(9) 0.3274(5) 0.096(7) Uani 0.506(8) 1 d PGU A 1
H57B H 0.0878 1.1582 0.3305 0.115 Uiso 0.506(8) 1 calc PR A 1
C58B C 0.0879(3) 1.0012(11) 0.2969(4) 0.078(6) Uani 0.506(8) 1 d PGU A 1
H58B H 0.0989 1.0317 0.2795 0.094 Uiso 0.506(8) 1 calc PR A 1
C59 C 0.2217(2) 0.7359(9) 0.3090(3) 0.064(2) Uani 1 1 d . A .
C53A C 0.0696(3) 0.8845(10) 0.2856(4) 0.042(5) Uani 0.494(8) 1 d PGU A 2
C54A C 0.0872(3) 0.8989(11) 0.3363(4) 0.063(5) Uani 0.494(8) 1 d PGU A 2
H54A H 0.1077 0.8535 0.3557 0.075 Uiso 0.494(8) 1 calc PR A 2
C55A C 0.0743(3) 0.9813(12) 0.3580(3) 0.084(7) Uani 0.494(8) 1 d PGU A 2
H55A H 0.0861 0.9910 0.3919 0.101 Uiso 0.494(8) 1 calc PR A 2
C56A C 0.0437(3) 1.0493(11) 0.3290(5) 0.078(6) Uani 0.494(8) 1 d PGU A 2
H56A H 0.0351 1.1044 0.3436 0.094 Uiso 0.494(8) 1 calc PR A 2
C57A C 0.0261(3) 1.0348(11) 0.2783(5) 0.079(6) Uani 0.494(8) 1 d PGU A 2
H57A H 0.0057 1.0803 0.2590 0.095 Uiso 0.494(8) 1 calc PR A 2
C58A C 0.0391(3) 0.9525(12) 0.2566(3) 0.071(5) Uani 0.494(8) 1 d PGU A 2
H58A H 0.0273 0.9428 0.2227 0.086 Uiso 0.494(8) 1 calc PR A 2
C61 C 0.2629(4) 0.6001(18) 0.3014(7) 0.179(8) Uani 1 1 d . A .
H61 H 0.2676 0.5400 0.2842 0.215 Uiso 1 1 calc R . .
C62 C 0.2895(4) 0.644(2) 0.3447(9) 0.171(10) Uani 1 1 d . . .
H62 H 0.3128 0.6143 0.3566 0.205 Uiso 1 1 calc R A .
C63 C 0.2832(4) 0.7279(18) 0.3704(8) 0.169(9) Uani 1 1 d . A .
H63 H 0.3017 0.7542 0.4003 0.202 Uiso 1 1 calc R . .
C64 C 0.2486(3) 0.7770(11) 0.3524(5) 0.122(5) Uani 1 1 d . . .
H64 H 0.2441 0.8367 0.3700 0.146 Uiso 1 1 calc R A .
Cl1 Cl 0.07022(7) 1.4363(2) -0.01049(9) 0.0768(7) Uani 1 1 d . . .
Cl2 Cl 0.16356(8) 1.0342(2) -0.03434(11) 0.0968(9) Uani 1 1 d . . .
Cl3 Cl 0.08538(8) 0.3510(2) 0.38460(11) 0.0976(9) Uani 1 1 d . . .
Cl4 Cl 0.24682(7) 0.4257(3) 0.45084(11) 0.1138(11) Uani 1 1 d . . .
O1 O 0.2338(4) 0.3197(12) 0.0176(4) 0.228(6) Uani 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'
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'
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 97.34(7) . . ?
P2 Pt1 S2 88.19(7) . . ?
P1 Pt1 S2 172.79(7) . . ?
P2 Pt1 S1 172.86(7) . . ?
P1 Pt1 S1 86.19(7) . . ?
S2 Pt1 S1 88.83(7) . . ?
P4 Pt2 S4 86.98(8) . . ?
P4 Pt2 P3 95.75(7) . . ?
S4 Pt2 P3 174.48(8) . . ?
P4 Pt2 S3 175.12(7) . . ?
S4 Pt2 S3 88.16(8) . . ?
P3 Pt2 S3 89.13(7) . . ?
C5 S1 Pt1 104.6(3) . . ?
C10 S2 Pt1 103.9(2) . . ?
C11 S3 Pt2 104.1(3) . . ?
C16 S4 Pt2 105.5(3) . . ?
C1 P1 C17 101.1(4) . . ?
C1 P1 C23 100.5(3) . . ?
C17 P1 C23 105.3(4) . . ?
C1 P1 Pt1 118.5(2) . . ?
C17 P1 Pt1 114.1(3) . . ?
C23 P1 Pt1 115.2(2) . . ?
C3 P2 C35 102.4(3) . . ?
C3 P2 C29 100.2(3) . . ?
C35 P2 C29 104.8(4) . . ?
C3 P2 Pt1 115.2(2) . . ?
C35 P2 Pt1 113.3(2) . . ?
C29 P2 Pt1 118.8(2) . . ?
C53B P3 C47A 111.2(6) . . ?
C53B P3 C2 101.0(5) . . ?
C47A P3 C2 96.5(4) . . ?
C53B P3 C47B 106.3(6) . . ?
C47A P3 C47B 7.0(7) . . ?
C2 P3 C47B 102.6(5) . . ?
C53B P3 C53A 9.6(6) . . ?
C47A P3 C53A 102.5(5) . . ?
C2 P3 C53A 98.5(5) . . ?
C47B P3 C53A 98.1(6) . . ?
C53B P3 Pt2 108.6(4) . . ?
C47A P3 Pt2 119.4(3) . . ?
C2 P3 Pt2 118.5(2) . . ?
C47B P3 Pt2 118.0(5) . . ?
C53A P3 Pt2 117.5(4) . . ?
C4 P4 C41 104.0(4) . . ?
C4 P4 C59 100.9(4) . . ?
C41 P4 C59 105.3(4) . . ?
C4 P4 Pt2 113.7(3) . . ?
C41 P4 Pt2 114.5(3) . . ?
C59 P4 Pt2 116.8(3) . . ?
C2 C1 P1 177.7(8) . . ?
C1 C2 P3 175.3(7) . . ?
C4 C3 P2 174.1(7) . . ?
C3 C4 P4 174.7(7) . . ?
C6 C5 C10 118.2(7) . . ?
C6 C5 S1 121.5(6) . . ?
C10 C5 S1 120.2(5) . . ?
C7 C6 C5 122.1(8) . . ?
C7 C6 Cl1 119.1(6) . . ?
C5 C6 Cl1 118.8(6) . . ?
C8 C7 C6 120.4(8) . . ?
C7 C8 C9 119.0(9) . . ?
C8 C9 C10 122.0(8) . . ?
C8 C9 Cl2 118.1(7) . . ?
C10 C9 Cl2 119.9(6) . . ?
C9 C10 C5 118.3(7) . . ?
C9 C10 S2 119.6(6) . . ?
C5 C10 S2 122.1(5) . . ?
C16 C11 C12 117.8(8) . . ?
C16 C11 S3 121.3(6) . . ?
C12 C11 S3 120.9(7) . . ?
C13 C12 C11 122.5(9) . . ?
C13 C12 Cl3 118.1(7) . . ?
C11 C12 Cl3 119.4(7) . . ?
C14 C13 C12 118.7(9) . . ?
C15 C14 C13 120.8(9) . . ?
C14 C15 C16 121.8(10) . . ?
C14 C15 Cl4 119.6(8) . . ?
C16 C15 Cl4 118.7(8) . . ?
C11 C16 C15 118.5(8) . . ?
C11 C16 S4 120.8(6) . . ?
C15 C16 S4 120.7(7) . . ?
C22 C17 C18 118.4(8) . . ?
C22 C17 P1 120.5(7) . . ?
C18 C17 P1 121.1(7) . . ?
C17 C18 C19 121.1(9) . . ?
C20 C19 C18 119.9(10) . . ?
C19 C20 C21 119.7(10) . . ?
C20 C21 C22 120.9(11) . . ?
C17 C22 C21 119.9(10) . . ?
C24 C23 C28 118.3(7) . . ?
C24 C23 P1 122.5(6) . . ?
C28 C23 P1 119.2(6) . . ?
C23 C24 C25 121.0(8) . . ?
C26 C25 C24 121.1(9) . . ?
C25 C26 C27 119.1(9) . . ?
C26 C27 C28 120.9(9) . . ?
C23 C28 C27 119.5(9) . . ?
C34 C29 C30 120.9(9) . . ?
C34 C29 P2 121.8(7) . . ?
C30 C29 P2 117.3(7) . . ?
C29 C30 C31 117.6(12) . . ?
C32 C31 C30 121.2(15) . . ?
C31 C32 C33 120.8(15) . . ?
C32 C33 C34 119.1(13) . . ?
C29 C34 C33 120.2(11) . . ?
C40 C35 C36 119.1(7) . . ?
C40 C35 P2 120.9(6) . . ?
C36 C35 P2 120.0(6) . . ?
C35 C36 C37 120.6(7) . . ?
C38 C37 C36 119.1(8) . . ?
C37 C38 C39 121.3(9) . . ?
C40 C39 C38 119.4(9) . . ?
C35 C40 C39 120.5(8) . . ?
C46 C41 C42 118.7(9) . . ?
C46 C41 P4 119.0(7) . . ?
C42 C41 P4 122.3(7) . . ?
C43 C42 C41 121.2(10) . . ?
C44 C43 C42 121.3(11) . . ?
C43 C44 C45 117.3(11) . . ?
C44 C45 C46 121.8(11) . . ?
C48A C47A C52A 120.0 . . ?
C48A C47A P3 123.6(6) . . ?
C52A C47A P3 116.4(6) . . ?
C49A C48A C47A 120.0 . . ?
C50A C49A C48A 120.0 . . ?
C49A C50A C51A 120.0 . . ?
C52A C51A C50A 120.0 . . ?
C51A C52A C47A 120.0 . . ?
C41 C46 C45 119.7(10) . . ?
C48B C47B C52B 120.0 . . ?
C48B C47B P3 122.4(9) . . ?
C52B C47B P3 117.4(9) . . ?
C49B C48B C47B 120.0 . . ?
C50B C49B C48B 120.0 . . ?
C49B C50B C51B 120.0 . . ?
C52B C51B C50B 120.0 . . ?
C51B C52B C47B 120.0 . . ?
C59 C60 C61 120.7(14) . . ?
C54B C53B C58B 120.0 . . ?
C54B C53B P3 118.4(7) . . ?
C58B C53B P3 121.5(7) . . ?
C55B C54B C53B 120.0 . . ?
C54B C55B C56B 120.0 . . ?
C55B C56B C57B 120.0 . . ?
C58B C57B C56B 120.0 . . ?
C57B C58B C53B 120.0 . . ?
C60 C59 C64 120.4(10) . . ?
C60 C59 P4 119.8(8) . . ?
C64 C59 P4 119.7(9) . . ?
C54A C53A C58A 120.0 . . ?
C54A C53A P3 120.0(7) . . ?
C58A C53A P3 120.0(7) . . ?
C55A C54A C53A 120.0 . . ?
C56A C55A C54A 120.0 . . ?
C55A C56A C57A 120.0 . . ?
C56A C57A C58A 120.0 . . ?
C57A C58A C53A 120.0 . . ?
C62 C61 C60 117.8(18) . . ?
C63 C62 C61 121.8(18) . . ?
C62 C63 C64 120(2) . . ?
C59 C64 C63 119.0(15) . . ?
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 2.2730(18) . ?
Pt1 P1 2.284(2) . ?
Pt1 S2 2.2971(19) . ?
Pt1 S1 2.2997(19) . ?
Pt2 P4 2.275(2) . ?
Pt2 S4 2.293(2) . ?
Pt2 P3 2.2933(19) . ?
Pt2 S3 2.314(2) . ?
S1 C5 1.750(8) . ?
S2 C10 1.751(7) . ?
S3 C11 1.758(8) . ?
S4 C16 1.739(9) . ?
P1 C1 1.774(8) . ?
P1 C17 1.818(8) . ?
P1 C23 1.820(7) . ?
P2 C3 1.771(8) . ?
P2 C35 1.794(7) . ?
P2 C29 1.828(8) . ?
P3 C53B 1.758(8) . ?
P3 C47A 1.762(7) . ?
P3 C2 1.772(8) . ?
P3 C47B 1.842(11) . ?
P3 C53A 1.856(8) . ?
P4 C4 1.774(8) . ?
P4 C41 1.802(8) . ?
P4 C59 1.819(8) . ?
C1 C2 1.191(9) . ?
C3 C4 1.177(9) . ?
C5 C6 1.382(10) . ?
C5 C10 1.406(10) . ?
C6 C7 1.374(12) . ?
C6 Cl1 1.759(8) . ?
C7 C8 1.350(12) . ?
C8 C9 1.387(11) . ?
C9 C10 1.389(10) . ?
C9 Cl2 1.739(9) . ?
C11 C16 1.401(11) . ?
C11 C12 1.408(11) . ?
C12 C13 1.379(12) . ?
C12 Cl3 1.741(9) . ?
C13 C14 1.374(13) . ?
C14 C15 1.357(13) . ?
C15 C16 1.411(11) . ?
C15 Cl4 1.715(10) . ?
C17 C22 1.360(11) . ?
C17 C18 1.364(11) . ?
C18 C19 1.380(11) . ?
C19 C20 1.344(15) . ?
C20 C21 1.348(16) . ?
C21 C22 1.386(13) . ?
C23 C24 1.358(10) . ?
C23 C28 1.374(10) . ?
C24 C25 1.395(11) . ?
C25 C26 1.329(12) . ?
C26 C27 1.358(13) . ?
C27 C28 1.407(12) . ?
C29 C34 1.352(11) . ?
C29 C30 1.370(11) . ?
C30 C31 1.405(16) . ?
C31 C32 1.33(2) . ?
C32 C33 1.354(19) . ?
C33 C34 1.393(15) . ?
C35 C40 1.370(10) . ?
C35 C36 1.382(10) . ?
C36 C37 1.396(10) . ?
C37 C38 1.335(12) . ?
C38 C39 1.391(13) . ?
C39 C40 1.370(12) . ?
C41 C46 1.331(12) . ?
C41 C42 1.370(12) . ?
C42 C43 1.367(12) . ?
C43 C44 1.349(16) . ?
C44 C45 1.360(16) . ?
C45 C46 1.403(15) . ?
C47A C48A 1.3900 . ?
C47A C52A 1.3900 . ?
C48A C49A 1.3900 . ?
C49A C50A 1.3900 . ?
C50A C51A 1.3900 . ?
C51A C52A 1.3900 . ?
C47B C48B 1.3900 . ?
C47B C52B 1.3900 . ?
C48B C49B 1.3900 . ?
C49B C50B 1.3900 . ?
C50B C51B 1.3900 . ?
C51B C52B 1.3900 . ?
C60 C59 1.347(14) . ?
C60 C61 1.410(15) . ?
C53B C54B 1.3900 . ?
C53B C58B 1.3900 . ?
C54B C55B 1.3900 . ?
C55B C56B 1.3900 . ?
C56B C57B 1.3900 . ?
C57B C58B 1.3900 . ?
C59 C64 1.360(13) . ?
C53A C54A 1.3900 . ?
C53A C58A 1.3900 . ?
C54A C55A 1.3900 . ?
C55A C56A 1.3900 . ?
C56A C57A 1.3900 . ?
C57A C58A 1.3900 . ?
C61 C62 1.36(2) . ?
C62 C63 1.33(3) . ?
C63 C64 1.404(18) . ?
