#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:54:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179134 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/96/4309699.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_4309699
loop_
_publ_author_name
'Neeladri Das'
'Ashutosh Ghosh'
'Atta M. Arif'
'Peter J. Stang'
_publ_section_title
;
Self-Assembly of Neutral Platinum-Based Supramolecular Ensembles
Incorporating Oxocarbon Dianions and Oxalate
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7130
_journal_page_last               7137
_journal_paper_doi               10.1021/ic050919p
_journal_volume                  44
_journal_year                    2005
_chemical_formula_moiety         'C86 H136 O10 P8 Pt4, 2(C H Cl3)'
_chemical_formula_sum            'C88 H138 Cl6 O10 P8 Pt4'
_chemical_formula_weight         2596.80
_chemical_name_systematic
; 
 ? 
;
_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                 99.2702(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.4052(5)
_cell_length_b                   15.0715(3)
_cell_length_c                   23.8497(3)
_cell_measurement_reflns_used    10386
_cell_measurement_temperature    150(1)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      1.018
_cell_volume                     9722.2(3)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius COLLECT'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'WinGX, Ortep3'
_computing_structure_refinement  SIR97
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(1)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD Diffractometer'
_diffrn_measurement_method       'Phi plus Omega 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  0.0242
_diffrn_reflns_av_sigmaI/netI    0.0395
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            18482
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.63
_exptl_absorpt_coefficient_mu    6.088
_exptl_absorpt_correction_T_max  0.5050
_exptl_absorpt_correction_T_min  0.2245
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'DENZO-SMN (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.774
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             5120
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.314
_refine_diff_density_min         -2.076
_refine_diff_density_rms         0.154
_refine_ls_extinction_coef       0.000078(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         11117
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0488
_refine_ls_R_factor_gt           0.0360
_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)+(0.0396P)²+84.0462P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0845
_refine_ls_wR_factor_ref         0.0920
_reflns_number_gt                9248
_reflns_number_total             11117
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic050919psi20050607_050813.cif
_cod_data_source_block           pjs219
_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_database_code               4309699
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 -0.147415(6) 0.298473(13) 0.145373(8) 0.02180(7) Uani 1 1 d . . .
Pt2 Pt 0.105859(7) 0.274886(15) 0.118120(8) 0.02783(7) Uani 1 1 d . . .
P1 P -0.16194(5) 0.44703(10) 0.12340(5) 0.0260(3) Uani 1 1 d . A .
P2 P -0.13294(6) 0.14924(10) 0.15722(7) 0.0340(3) Uani 1 1 d . A .
P3 P 0.10216(5) 0.42101(11) 0.14461(6) 0.0335(3) Uani 1 1 d . A .
P4 P 0.10814(6) 0.12648(12) 0.09413(9) 0.0533(5) Uani 1 1 d . A .
O1 O -0.07237(12) 0.3041(2) 0.12908(14) 0.0250(8) Uani 1 1 d . . .
O2 O -0.13510(13) 0.3149(3) 0.01562(16) 0.0407(10) Uani 1 1 d . . .
O3 O -0.07065(16) 0.2866(4) -0.07040(17) 0.0567(14) Uani 1 1 d . . .
O4 O 0.03065(16) 0.2637(4) -0.0104(2) 0.0690(18) Uani 1 1 d . . .
O5 O 0.02754(13) 0.2751(3) 0.11433(16) 0.0419(11) Uani 1 1 d . . .
C1 C -0.05873(18) 0.2968(4) 0.0807(2) 0.0276(11) Uani 1 1 d . . .
C2 C -0.09028(19) 0.3011(4) 0.0249(2) 0.0327(13) Uani 1 1 d . . .
C3 C -0.0576(2) 0.2877(5) -0.0190(2) 0.0426(16) Uani 1 1 d . . .
C4 C -0.0060(2) 0.2761(5) 0.0119(2) 0.0470(18) Uani 1 1 d . . .
C5 C -0.00843(19) 0.2831(4) 0.0722(2) 0.0334(13) Uani 1 1 d . . .
C6 C 0.17984(18) 0.2780(3) 0.1261(2) 0.0251(11) Uani 1 1 d . . .
C7 C 0.20044(19) 0.2855(4) 0.0774(2) 0.0286(11) Uani 1 1 d . . .
H7 H 0.1789 0.2921 0.0423 0.034 Uiso 1 1 calc R . .
C8 C 0.2522(2) 0.2839(4) 0.0769(2) 0.0301(12) Uani 1 1 d . . .
H8 H 0.2645 0.2909 0.0421 0.036 Uiso 1 1 calc R . .
C9 C 0.28400(19) 0.2725(4) 0.1258(2) 0.0268(11) Uani 1 1 d . . .
H9 H 0.3185 0.2683 0.1250 0.032 Uiso 1 1 calc R . .
C10 C 0.26648(18) 0.2665(3) 0.1788(2) 0.0241(10) Uani 1 1 d . . .
C11 C 0.29910(18) 0.2573(3) 0.2290(2) 0.0254(10) Uani 1 1 d . . .
H11 H 0.3333 0.2499 0.2274 0.030 Uiso 1 1 calc R . .
C12 C 0.28377(18) 0.2584(3) 0.2820(2) 0.0251(10) Uani 1 1 d . . .
C13 C 0.31843(19) 0.2477(4) 0.3332(2) 0.0299(12) Uani 1 1 d . . .
H13 H 0.3523 0.2372 0.3313 0.036 Uiso 1 1 calc R . .
C14 C 0.30337(18) 0.2524(4) 0.3842(2) 0.0317(12) Uani 1 1 d . . .
H14 H 0.3265 0.2439 0.4179 0.038 Uiso 1 1 calc R . .
C15 C 0.25285(19) 0.2700(4) 0.3877(2) 0.0291(11) Uani 1 1 d . . .
H15 H 0.2434 0.2745 0.4242 0.035 Uiso 1 1 calc R . .
C16 C 0.21713(18) 0.2809(3) 0.3407(2) 0.0253(11) Uani 1 1 d . . .
C17 C 0.23210(17) 0.2718(3) 0.2850(2) 0.0225(10) Uani 1 1 d . . .
C18 C 0.19906(17) 0.2757(3) 0.2334(2) 0.0225(10) Uani 1 1 d . . .
H18 H 0.1647 0.2807 0.2349 0.027 Uiso 1 1 calc R . .
C19 C 0.21389(17) 0.2728(3) 0.1800(2) 0.0210(10) Uani 1 1 d . . .
C20 C -0.1802(2) 0.5242(4) 0.1755(2) 0.0341(13) Uani 1 1 d . . .
H20A H -0.1555 0.5205 0.2106 0.041 Uiso 1 1 calc R . .
H20B H -0.1789 0.5852 0.1605 0.041 Uiso 1 1 calc R . .
C21 C -0.2312(2) 0.5092(5) 0.1910(3) 0.0450(16) Uani 1 1 d . . .
H21A H -0.2375 0.5536 0.2190 0.068 Uiso 1 1 calc R . .
H21B H -0.2328 0.4497 0.2072 0.068 Uiso 1 1 calc R . .
H21C H -0.2562 0.5146 0.1569 0.068 Uiso 1 1 calc R . .
C22 C -0.2099(2) 0.4584(4) 0.0610(2) 0.0368(13) Uani 1 1 d . . .
H22A H -0.2010 0.4191 0.0309 0.044 Uiso 1 1 calc R . .
H22B H -0.2412 0.4359 0.0712 0.044 Uiso 1 1 calc R . .
C23 C -0.2197(2) 0.5500(4) 0.0357(3) 0.0458(15) Uani 1 1 d . . .
H23A H -0.2460 0.5466 0.0026 0.069 Uiso 1 1 calc R . .
H23B H -0.1895 0.5729 0.0238 0.069 Uiso 1 1 calc R . .
H23C H -0.2299 0.5898 0.0642 0.069 Uiso 1 1 calc R . .
C24 C -0.1075(2) 0.5029(5) 0.1037(3) 0.0493(17) Uani 1 1 d . . .
H24A H -0.0963 0.4664 0.0737 0.059 Uiso 0.499(7) 1 calc PR A 1
H24B H -0.1192 0.5599 0.0857 0.059 Uiso 0.499(7) 1 calc PR A 1
H24C H -0.0781 0.4755 0.1268 0.059 Uiso 0.501(7) 1 calc PR A 2
H24D H -0.1064 0.4868 0.0637 0.059 Uiso 0.501(7) 1 calc PR A 2
C25 C -0.0649(4) 0.5224(9) 0.1444(5) 0.039(3) Uani 0.499(7) 1 d P A 1
H25A H -0.0402 0.5521 0.1255 0.058 Uiso 0.499(7) 1 calc PR A 1
H25B H -0.0510 0.4671 0.1618 0.058 Uiso 0.499(7) 1 calc PR A 1
H25C H -0.0742 0.5613 0.1739 0.058 Uiso 0.499(7) 1 calc PR A 1
C26 C -0.1281(2) 0.0970(5) 0.0890(3) 0.0508(17) Uani 1 1 d . . .
H26A H -0.1002 0.1237 0.0734 0.061 Uiso 1 1 calc R . .
H26B H -0.1211 0.0330 0.0951 0.061 Uiso 1 1 calc R . .
C27 C -0.1755(3) 0.1082(6) 0.0462(3) 0.073(3) Uani 1 1 d . . .
H27A H -0.1716 0.0794 0.0103 0.110 Uiso 1 1 calc R . .
H27B H -0.1822 0.1715 0.0395 0.110 Uiso 1 1 calc R . .
H27C H -0.2032 0.0809 0.0612 0.110 Uiso 1 1 calc R . .
C28 C -0.0737(2) 0.1294(4) 0.2021(3) 0.0423(14) Uani 1 1 d . . .
H28A H -0.0735 0.0674 0.2157 0.051 Uiso 0.499(7) 1 calc PR A 1
H28B H -0.0476 0.1343 0.1779 0.051 Uiso 0.499(7) 1 calc PR A 1
H28C H -0.0477 0.1603 0.1852 0.051 Uiso 0.501(7) 1 calc PR A 2
H28D H -0.0745 0.1562 0.2398 0.051 Uiso 0.501(7) 1 calc PR A 2
C29 C -0.0589(4) 0.1902(7) 0.2546(5) 0.031(2) Uani 0.499(7) 1 d P A 1
H29A H -0.0263 0.1726 0.2746 0.046 Uiso 0.499(7) 1 calc PR A 1
H29B H -0.0833 0.1843 0.2802 0.046 Uiso 0.499(7) 1 calc PR A 1
H29C H -0.0578 0.2520 0.2421 0.046 Uiso 0.499(7) 1 calc PR A 1
C30 C -0.1790(3) 0.0826(4) 0.1862(4) 0.069(3) Uani 1 1 d . . .
H30A H -0.1702 0.0822 0.2281 0.083 Uiso 0.499(7) 1 calc PR A 1
H30B H -0.2115 0.1122 0.1766 0.083 Uiso 0.499(7) 1 calc PR A 1
H30C H -0.1857 0.1112 0.2216 0.083 Uiso 0.501(7) 1 calc PR A 2
H30D H -0.2101 0.0833 0.1587 0.083 Uiso 0.501(7) 1 calc PR A 2
C31 C -0.1843(5) -0.0144(9) 0.1653(7) 0.046(3) Uani 0.499(7) 1 d P A 1
H31A H -0.2099 -0.0441 0.1829 0.069 Uiso 0.499(7) 1 calc PR A 1
H31B H -0.1528 -0.0453 0.1759 0.069 Uiso 0.499(7) 1 calc PR A 1
H31C H -0.1938 -0.0152 0.1239 0.069 Uiso 0.499(7) 1 calc PR A 1
C32 C 0.0586(3) 0.4842(5) 0.0936(3) 0.062(2) Uani 1 1 d . . .
H32A H 0.0247 0.4632 0.0951 0.075 Uiso 1 1 calc R . .
H32B H 0.0604 0.5476 0.1047 0.075 Uiso 1 1 calc R . .
C33 C 0.0689(4) 0.4759(6) 0.0326(3) 0.079(3) Uani 1 1 d . . .
H33A H 0.0444 0.5106 0.0072 0.118 Uiso 1 1 calc R . .
H33B H 0.0666 0.4134 0.0211 0.118 Uiso 1 1 calc R . .
H33C H 0.1021 0.4982 0.0306 0.118 Uiso 1 1 calc R . .
C34 C 0.1586(2) 0.4877(4) 0.1589(3) 0.0430(15) Uani 1 1 d . . .
H34A H 0.1509 0.5425 0.1787 0.052 Uiso 1 1 calc R . .
H34B H 0.1833 0.4541 0.1856 0.052 Uiso 1 1 calc R . .
C35 C 0.1829(3) 0.5149(5) 0.1084(4) 0.069(2) Uani 1 1 d . . .
H35A H 0.2126 0.5500 0.1218 0.103 Uiso 1 1 calc R . .
H35B H 0.1597 0.5505 0.0820 0.103 Uiso 1 1 calc R . .
H35C H 0.1921 0.4617 0.0889 0.103 Uiso 1 1 calc R . .
C36 C 0.0778(2) 0.4308(4) 0.2112(3) 0.0446(16) Uani 1 1 d . . .
H36A H 0.1063 0.4240 0.2422 0.054 Uiso 0.499(7) 1 calc PR A 1
H36B H 0.0660 0.4927 0.2132 0.054 Uiso 0.499(7) 1 calc PR A 1
H36C H 0.0491 0.3905 0.2102 0.054 Uiso 0.501(7) 1 calc PR A 2
H36D H 0.1035 0.4121 0.2431 0.054 Uiso 0.501(7) 1 calc PR A 2
C37 C 0.0357(5) 0.3696(11) 0.2266(6) 0.055(4) Uani 0.499(7) 1 d P A 1
H37A H 0.0286 0.3856 0.2643 0.082 Uiso 0.499(7) 1 calc PR A 1
H37B H 0.0464 0.3075 0.2269 0.082 Uiso 0.499(7) 1 calc PR A 1
H37C H 0.0058 0.3773 0.1984 0.082 Uiso 0.499(7) 1 calc PR A 1
C38 C 0.1451(3) 0.0995(6) 0.0384(5) 0.089(4) Uani 1 1 d . . .
H38A H 0.1791 0.1224 0.0501 0.107 Uiso 1 1 calc R . .
H38B H 0.1473 0.0342 0.0353 0.107 Uiso 1 1 calc R . .
C39 C 0.1248(3) 0.1368(8) -0.0196(4) 0.097(4) Uani 1 1 d . . .
H39A H 0.1464 0.1196 -0.0468 0.146 Uiso 1 1 calc R . .
H39B H 0.1234 0.2017 -0.0174 0.146 Uiso 1 1 calc R . .
H39C H 0.0915 0.1133 -0.0322 0.146 Uiso 1 1 calc R . .
C40 C 0.1364(3) 0.0625(5) 0.1547(5) 0.079(3) Uani 1 1 d . . .
H40A H 0.1706 0.0857 0.1623 0.095 Uiso 0.499(7) 1 calc PR A 1
H40B H 0.1203 0.0857 0.1860 0.095 Uiso 0.499(7) 1 calc PR A 1
H40C H 0.1693 0.0866 0.1707 0.095 Uiso 0.501(7) 1 calc PR A 2
H40D H 0.1153 0.0618 0.1847 0.095 Uiso 0.501(7) 1 calc PR A 2
C41 C 0.1431(6) -0.0382(10) 0.1691(8) 0.055(4) Uani 0.499(7) 1 d P A 1
H41A H 0.1609 -0.0450 0.2080 0.083 Uiso 0.499(7) 1 calc PR A 1
H41B H 0.1621 -0.0663 0.1425 0.083 Uiso 0.499(7) 1 calc PR A 1
H41C H 0.1106 -0.0666 0.1660 0.083 Uiso 0.499(7) 1 calc PR A 1
C42 C 0.0489(2) 0.0728(6) 0.0697(4) 0.075(3) Uani 1 1 d . . .
H42A H 0.0330 0.1056 0.0357 0.090 Uiso 0.499(7) 1 calc PR A 1
H42B H 0.0563 0.0125 0.0568 0.090 Uiso 0.499(7) 1 calc PR A 1
H42C H 0.0281 0.0795 0.0997 0.090 Uiso 0.501(7) 1 calc PR A 2
H42D H 0.0323 0.1051 0.0358 0.090 Uiso 0.501(7) 1 calc PR A 2
C43 C 0.0153(4) 0.0638(8) 0.1034(6) 0.041(3) Uani 0.499(7) 1 d P A 1
H43A H -0.0142 0.0349 0.0825 0.061 Uiso 0.499(7) 1 calc PR A 1
H43B H 0.0063 0.1224 0.1163 0.061 Uiso 0.499(7) 1 calc PR A 1
H43C H 0.0288 0.0274 0.1363 0.061 Uiso 0.499(7) 1 calc PR A 1
C25' C -0.1007(6) 0.5943(9) 0.1078(6) 0.055(4) Uani 0.501(7) 1 d P A 2
H25D H -0.0694 0.6101 0.0954 0.083 Uiso 0.501(7) 1 calc PR A 2
H25E H -0.0999 0.6129 0.1473 0.083 Uiso 0.501(7) 1 calc PR A 2
H25F H -0.1281 0.6242 0.0835 0.083 Uiso 0.501(7) 1 calc PR A 2
C29' C -0.0599(5) 0.0355(9) 0.2100(6) 0.049(3) Uani 0.501(7) 1 d P A 2
H29D H -0.0276 0.0309 0.2343 0.073 Uiso 0.501(7) 1 calc PR A 2
H29E H -0.0582 0.0084 0.1731 0.073 Uiso 0.501(7) 1 calc PR A 2
H29F H -0.0848 0.0045 0.2281 0.073 Uiso 0.501(7) 1 calc PR A 2
C31' C -0.1632(6) -0.0203(9) 0.2003(8) 0.055(4) Uani 0.501(7) 1 d P A 2
H31D H -0.1899 -0.0507 0.2155 0.082 Uiso 0.501(7) 1 calc PR A 2
H31E H -0.1329 -0.0221 0.2284 0.082 Uiso 0.501(7) 1 calc PR A 2
H31F H -0.1574 -0.0500 0.1654 0.082 Uiso 0.501(7) 1 calc PR A 2
C37' C 0.0610(5) 0.5298(9) 0.2221(6) 0.050(4) Uani 0.501(7) 1 d P A 2
H37D H 0.0484 0.5324 0.2583 0.074 Uiso 0.501(7) 1 calc PR A 2
H37E H 0.0349 0.5480 0.1912 0.074 Uiso 0.501(7) 1 calc PR A 2
H37F H 0.0894 0.5698 0.2236 0.074 Uiso 0.501(7) 1 calc PR A 2
C41' C 0.1411(5) -0.0358(8) 0.1288(7) 0.042(3) Uani 0.501(7) 1 d P A 2
H41D H 0.1562 -0.0758 0.1591 0.064 Uiso 0.501(7) 1 calc PR A 2
H41E H 0.1618 -0.0333 0.0990 0.064 Uiso 0.501(7) 1 calc PR A 2
H41F H 0.1082 -0.0578 0.1128 0.064 Uiso 0.501(7) 1 calc PR A 2
C43' C 0.0505(5) -0.0295(10) 0.0540(6) 0.056(4) Uani 0.501(7) 1 d P A 2
H43D H 0.0168 -0.0507 0.0407 0.084 Uiso 0.501(7) 1 calc PR A 2
H43E H 0.0650 -0.0633 0.0876 0.084 Uiso 0.501(7) 1 calc PR A 2
H43F H 0.0705 -0.0376 0.0238 0.084 Uiso 0.501(7) 1 calc PR A 2
C44 C 0.0004(8) 0.7554(13) 0.1579(9) 0.103(7) Uiso 0.536(5) 1 d PD B 1
H44 H 0.0036 0.7455 0.1172 0.124 Uiso 0.536(5) 1 calc PR B 1
Cl1 Cl 0.02097(17) 0.6642(3) 0.19963(19) 0.0812(14) Uiso 0.536(5) 1 d PD B 1
Cl3 Cl 0.0492(2) 0.8423(4) 0.1942(3) 0.111(2) Uiso 0.536(5) 1 d PD B 1
Cl2 Cl -0.0521(2) 0.8032(4) 0.1639(2) 0.0925(16) Uiso 0.536(5) 1 d PD B 1
C44' C -0.0128(8) 0.8132(13) 0.1400(9) 0.103(8) Uiso 0.464(5) 1 d PD B 2
H44' H -0.0039 0.8061 0.1011 0.124 Uiso 0.464(5) 1 calc PR B 2
Cl1' Cl -0.0266(3) 0.9189(5) 0.1503(3) 0.120(3) Uiso 0.464(5) 1 d PD B 2
Cl2' Cl -0.0738(3) 0.7503(6) 0.1438(3) 0.120(3) Uiso 0.464(5) 1 d PD B 2
Cl3' Cl 0.0292(3) 0.7678(5) 0.1860(3) 0.114(3) Uiso 0.464(5) 1 d PD B 2
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'
O O 0.0106 0.0060 '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'
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
C16 Pt1 O1 174.63(18) 2 . ?
C16 Pt1 P2 90.05(15) 2 . ?
O1 Pt1 P2 84.81(10) . . ?
C16 Pt1 P1 91.78(16) 2 . ?
O1 Pt1 P1 93.18(10) . . ?
P2 Pt1 P1 174.03(5) . . ?
C6 Pt2 O5 176.69(17) . . ?
C6 Pt2 P3 92.28(14) . . ?
O5 Pt2 P3 85.51(13) . . ?
C6 Pt2 P4 88.80(14) . . ?
O5 Pt2 P4 93.32(13) . . ?
P3 Pt2 P4 177.95(7) . . ?
C22 P1 C20 104.7(3) . . ?
C22 P1 C24 104.8(3) . . ?
C20 P1 C24 101.8(3) . . ?
C22 P1 Pt1 110.5(2) . . ?
C20 P1 Pt1 121.1(2) . . ?
C24 P1 Pt1 112.5(2) . . ?
C28 P2 C26 105.5(3) . . ?
C28 P2 C30 107.0(4) . . ?
C26 P2 C30 104.6(4) . . ?
C28 P2 Pt1 110.7(2) . . ?
C26 P2 Pt1 110.4(3) . . ?
C30 P2 Pt1 117.9(2) . . ?
C36 P3 C32 104.3(3) . . ?
C36 P3 C34 102.2(3) . . ?
C32 P3 C34 106.2(4) . . ?
C36 P3 Pt2 110.8(2) . . ?
C32 P3 Pt2 111.7(2) . . ?
C34 P3 Pt2 120.3(2) . . ?
C40 P4 C42 105.3(4) . . ?
C40 P4 C38 104.2(5) . . ?
C42 P4 C38 103.7(4) . . ?
C40 P4 Pt2 110.1(3) . . ?
C42 P4 Pt2 116.8(3) . . ?
C38 P4 Pt2 115.6(3) . . ?
C1 O1 Pt1 126.0(3) . . ?
C5 O5 Pt2 131.9(3) . . ?
O1 C1 C5 124.5(5) . . ?
O1 C1 C2 127.0(5) . . ?
C5 C1 C2 108.5(4) . . ?
O2 C2 C1 126.7(5) . . ?
O2 C2 C3 126.1(5) . . ?
C1 C2 C3 107.2(4) . . ?
O3 C3 C4 126.5(5) . . ?
O3 C3 C2 126.3(5) . . ?
C4 C3 C2 107.2(5) . . ?
O4 C4 C5 127.7(6) . . ?
O4 C4 C3 125.5(5) . . ?
C5 C4 C3 106.8(5) . . ?
O5 C5 C1 122.1(5) . . ?
O5 C5 C4 127.6(5) . . ?
C1 C5 C4 110.2(5) . . ?
C7 C6 C19 117.1(4) . . ?
C7 C6 Pt2 117.9(4) . . ?
C19 C6 Pt2 125.0(4) . . ?
C6 C7 C8 123.6(5) . . ?
C6 C7 H7 118.2 . . ?
C8 C7 H7 118.2 . . ?
C9 C8 C7 120.0(5) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C8 C9 C10 120.8(5) . . ?
C8 C9 H9 119.6 . . ?
C10 C9 H9 119.6 . . ?
C11 C10 C9 120.8(4) . . ?
C11 C10 C19 119.8(4) . . ?
C9 C10 C19 119.4(4) . . ?
C10 C11 C12 122.5(5) . . ?
C10 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C11 C12 C13 121.1(5) . . ?
C11 C12 C17 119.2(4) . . ?
C13 C12 C17 119.7(5) . . ?
C14 C13 C12 120.4(5) . . ?
C14 C13 H13 119.8 . . ?
C12 C13 H13 119.8 . . ?
C13 C14 C15 120.3(5) . . ?
C13 C14 H14 119.9 . . ?
C15 C14 H14 119.9 . . ?
C16 C15 C14 123.1(5) . . ?
C16 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
C15 C16 C17 117.6(4) . . ?
C15 C16 Pt1 116.9(4) . 2 ?
C17 C16 Pt1 125.3(4) . 2 ?
C18 C17 C12 117.4(4) . . ?
C18 C17 C16 123.9(4) . . ?
C12 C17 C16 118.7(4) . . ?
C19 C18 C17 123.7(4) . . ?
C19 C18 H18 118.1 . . ?
C17 C18 H18 118.1 . . ?
C18 C19 C10 117.1(4) . . ?
C18 C19 C6 124.1(4) . . ?
C10 C19 C6 118.8(4) . . ?
C21 C20 P1 115.7(4) . . ?
C21 C20 H20A 108.3 . . ?
P1 C20 H20A 108.3 . . ?
C21 C20 H20B 108.3 . . ?
P1 C20 H20B 108.3 . . ?
H20A C20 H20B 107.4 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 P1 118.0(4) . . ?
C23 C22 H22A 107.8 . . ?
P1 C22 H22A 107.8 . . ?
C23 C22 H22B 107.8 . . ?
P1 C22 H22B 107.8 . . ?
H22A C22 H22B 107.2 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25' C24 C25 70.3(9) . . ?
C25' C24 P1 122.7(7) . . ?
C25 C24 P1 122.0(7) . . ?
C25' C24 H24A 123.2 . . ?
C25 C24 H24A 106.8 . . ?
P1 C24 H24A 106.8 . . ?
C25' C24 H24B 37.0 . . ?
C25 C24 H24B 106.8 . . ?
P1 C24 H24B 106.8 . . ?
H24A C24 H24B 106.7 . . ?
C25' C24 H24C 106.6 . . ?
C25 C24 H24C 37.0 . . ?
P1 C24 H24C 106.6 . . ?
H24A C24 H24C 81.4 . . ?
H24B C24 H24C 141.3 . . ?
C25' C24 H24D 106.6 . . ?
C25 C24 H24D 123.9 . . ?
P1 C24 H24D 106.6 . . ?
H24A C24 H24D 26.6 . . ?
H24B C24 H24D 81.6 . . ?
H24C C24 H24D 106.6 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 P2 111.8(5) . . ?
C27 C26 H26A 109.2 . . ?
P2 C26 H26A 109.2 . . ?
C27 C26 H26B 109.2 . . ?
P2 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29' C28 C29 115.8(8) . . ?
C29' C28 P2 114.9(7) . . ?
C29 C28 P2 118.0(6) . . ?
C29' C28 H28A 19.9 . . ?
C29 C28 H28A 107.8 . . ?
P2 C28 H28A 107.8 . . ?
C29' C28 H28B 87.3 . . ?
C29 C28 H28B 107.8 . . ?
P2 C28 H28B 107.8 . . ?
H28A C28 H28B 107.1 . . ?
C29' C28 H28C 108.5 . . ?
C29 C28 H28C 86.5 . . ?
P2 C28 H28C 108.5 . . ?
H28A C28 H28C 127.6 . . ?
H28B C28 H28C 25.0 . . ?
C29' C28 H28D 108.5 . . ?
C29 C28 H28D 21.1 . . ?
P2 C28 H28D 108.5 . . ?
H28A C28 H28D 95.0 . . ?
H28B C28 H28D 128.5 . . ?
H28C C28 H28D 107.5 . . ?
C28 C29 H29A 109.5 . . ?
C28 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C28 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C31' 34.3(7) . . ?
C31 C30 P2 115.6(7) . . ?
C31' C30 P2 115.0(7) . . ?
C31 C30 H30A 108.4 . . ?
C31' C30 H30A 76.9 . . ?
P2 C30 H30A 108.4 . . ?
C31 C30 H30B 108.4 . . ?
C31' C30 H30B 132.4 . . ?
P2 C30 H30B 108.4 . . ?
H30A C30 H30B 107.4 . . ?
C31 C30 H30C 131.7 . . ?
C31' C30 H30C 108.5 . . ?
P2 C30 H30C 108.5 . . ?
H30A C30 H30C 35.9 . . ?
H30B C30 H30C 73.6 . . ?
C31 C30 H30D 76.6 . . ?
C31' C30 H30D 108.5 . . ?
P2 C30 H30D 108.5 . . ?
H30A C30 H30D 135.4 . . ?
H30B C30 H30D 36.2 . . ?
H30C C30 H30D 107.5 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 P3 113.0(5) . . ?
C33 C32 H32A 109.0 . . ?
P3 C32 H32A 109.0 . . ?
C33 C32 H32B 109.0 . . ?
P3 C32 H32B 109.0 . . ?
H32A C32 H32B 107.8 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C35 C34 P3 117.7(5) . . ?
C35 C34 H34A 107.9 . . ?
P3 C34 H34A 107.9 . . ?
C35 C34 H34B 107.9 . . ?
P3 C34 H34B 107.9 . . ?
H34A C34 H34B 107.2 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C37 C36 C37' 105.7(8) . . ?
C37 C36 P3 122.9(6) . . ?
C37' C36 P3 111.9(7) . . ?
C37 C36 H36A 106.6 . . ?
C37' C36 H36A 100.9 . . ?
P3 C36 H36A 106.6 . . ?
C37 C36 H36B 106.6 . . ?
C37' C36 H36B 6.6 . . ?
P3 C36 H36B 106.6 . . ?
H36A C36 H36B 106.6 . . ?
C37 C36 H36C 14.8 . . ?
C37' C36 H36C 109.2 . . ?
P3 C36 H36C 109.2 . . ?
H36A C36 H36C 118.8 . . ?
H36B C36 H36C 108.4 . . ?
C37 C36 H36D 96.4 . . ?
C37' C36 H36D 109.2 . . ?
P3 C36 H36D 109.2 . . ?
H36A C36 H36D 11.4 . . ?
H36B C36 H36D 115.3 . . ?
H36C C36 H36D 107.9 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C39 C38 P4 114.4(6) . . ?
C39 C38 H38A 108.7 . . ?
P4 C38 H38A 108.7 . . ?
C39 C38 H38B 108.7 . . ?
P4 C38 H38B 108.7 . . ?
H38A C38 H38B 107.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C40 C41' 34.9(7) . . ?
C41 C40 P4 135.8(9) . . ?
C41' C40 P4 103.6(8) . . ?
C41 C40 H40A 103.2 . . ?
C41' C40 H40A 105.2 . . ?
P4 C40 H40A 103.2 . . ?
C41 C40 H40B 103.2 . . ?
C41' C40 H40B 133.1 . . ?
P4 C40 H40B 103.2 . . ?
H40A C40 H40B 105.2 . . ?
C41 C40 H40C 101.8 . . ?
C41' C40 H40C 111.0 . . ?
P4 C40 H40C 111.0 . . ?
H40A C40 H40C 12.2 . . ?
H40B C40 H40C 93.9 . . ?
C41 C40 H40D 83.9 . . ?
C41' C40 H40D 111.0 . . ?
P4 C40 H40D 111.0 . . ?
H40A C40 H40D 121.2 . . ?
H40B C40 H40D 22.4 . . ?
H40C C40 H40D 109.0 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C43 C42 C43' 95.3(10) . . ?
C43 C42 P4 121.5(8) . . ?
C43' C42 P4 116.8(7) . . ?
C43 C42 H42A 106.9 . . ?
C43' C42 H42A 108.4 . . ?
P4 C42 H42A 106.9 . . ?
C43 C42 H42B 106.9 . . ?
C43' C42 H42B 12.0 . . ?
P4 C42 H42B 106.9 . . ?
H42A C42 H42B 106.7 . . ?
C43 C42 H42C 14.7 . . ?
C43' C42 H42C 108.1 . . ?
P4 C42 H42C 108.1 . . ?
H42A C42 H42C 108.2 . . ?
H42B C42 H42C 119.3 . . ?
C43 C42 H42D 105.8 . . ?
C43' C42 H42D 108.1 . . ?
P4 C42 H42D 108.1 . . ?
H42A C42 H42D 1.3 . . ?
H42B C42 H42D 106.7 . . ?
H42C C42 H42D 107.3 . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C24 C25' H25D 109.5 . . ?
C24 C25' H25E 109.5 . . ?
H25D C25' H25E 109.5 . . ?
C24 C25' H25F 109.5 . . ?
H25D C25' H25F 109.5 . . ?
H25E C25' H25F 109.5 . . ?
C28 C29' H29D 109.5 . . ?
C28 C29' H29E 109.5 . . ?
H29D C29' H29E 109.5 . . ?
C28 C29' H29F 109.5 . . ?
H29D C29' H29F 109.5 . . ?
H29E C29' H29F 109.5 . . ?
C30 C31' H31D 109.5 . . ?
C30 C31' H31E 109.5 . . ?
H31D C31' H31E 109.5 . . ?
C30 C31' H31F 109.5 . . ?
H31D C31' H31F 109.5 . . ?
H31E C31' H31F 109.5 . . ?
C36 C37' H37D 109.5 . . ?
C36 C37' H37E 109.5 . . ?
H37D C37' H37E 109.5 . . ?
C36 C37' H37F 109.5 . . ?
H37D C37' H37F 109.5 . . ?
H37E C37' H37F 109.5 . . ?
C40 C41' H41D 109.5 . . ?
C40 C41' H41E 109.5 . . ?
H41D C41' H41E 109.5 . . ?
C40 C41' H41F 109.5 . . ?
H41D C41' H41F 109.5 . . ?
H41E C41' H41F 109.5 . . ?
C42 C43' H43D 109.5 . . ?
C42 C43' H43E 109.5 . . ?
H43D C43' H43E 109.5 . . ?
C42 C43' H43F 109.5 . . ?
H43D C43' H43F 109.5 . . ?
H43E C43' H43F 109.5 . . ?
Cl2 C44 Cl1 120.5(13) . . ?
Cl2 C44 Cl3 102.4(10) . . ?
Cl1 C44 Cl3 98.0(10) . . ?
Cl2 C44 H44 111.5 . . ?
Cl1 C44 H44 111.5 . . ?
Cl3 C44 H44 111.5 . . ?
Cl3' C44' Cl1' 117.4(14) . . ?
Cl3' C44' Cl2' 106.7(11) . . ?
Cl1' C44' Cl2' 104.0(12) . . ?
Cl3' C44' H44' 109.4 . . ?
Cl1' C44' H44' 109.4 . . ?
Cl2' C44' H44' 109.4 . . ?
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 C16 2.009(5) 2 ?
Pt1 O1 2.155(3) . ?
Pt1 P2 2.2935(15) . ?
Pt1 P1 2.3192(15) . ?
Pt2 C6 2.006(5) . ?
Pt2 O5 2.134(4) . ?
Pt2 P3 2.2979(15) . ?
Pt2 P4 2.3121(17) . ?
P1 C22 1.828(6) . ?
P1 C20 1.830(5) . ?
P1 C24 1.839(6) . ?
P2 C28 1.819(7) . ?
P2 C26 1.830(6) . ?
P2 C30 1.832(7) . ?
P3 C36 1.826(6) . ?
P3 C32 1.829(6) . ?
P3 C34 1.831(6) . ?
P4 C40 1.805(10) . ?
P4 C42 1.823(7) . ?
P4 C38 1.843(8) . ?
O1 C1 1.275(6) . ?
O2 C2 1.230(6) . ?
O3 C3 1.220(7) . ?
O4 C4 1.224(7) . ?
O5 C5 1.295(6) . ?
C1 C5 1.440(7) . ?
C1 C2 1.465(7) . ?
C2 C3 1.499(7) . ?
C3 C4 1.495(8) . ?
C4 C5 1.455(8) . ?
C6 C7 1.375(7) . ?
C6 C19 1.463(7) . ?
C7 C8 1.422(7) . ?
C7 H7 0.9500 . ?
C8 C9 1.350(7) . ?
C8 H8 0.9500 . ?
C9 C10 1.424(7) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(7) . ?
C10 C19 1.449(7) . ?
C11 C12 1.395(7) . ?
C11 H11 0.9500 . ?
C12 C13 1.430(7) . ?
C12 C17 1.444(6) . ?
C13 C14 1.346(8) . ?
C13 H13 0.9500 . ?
C14 C15 1.425(7) . ?
C14 H14 0.9500 . ?
C15 C16 1.374(7) . ?
C15 H15 0.9500 . ?
C16 C17 1.457(7) . ?
C16 Pt1 2.009(5) 2 ?
C17 C18 1.407(7) . ?
C18 C19 1.399(7) . ?
C18 H18 0.9500 . ?
C20 C21 1.519(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.513(9) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 C25' 1.390(15) . ?
C24 C25 1.424(13) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C24 H24C 0.9900 . ?
C24 H24D 0.9900 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C27 1.527(10) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29' 1.470(14) . ?
C28 C29 1.552(12) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C28 H28C 0.9900 . ?
C28 H28D 0.9900 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C31 1.544(16) . ?
C30 C31' 1.631(16) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C30 H30C 0.9900 . ?
C30 H30D 0.9900 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.529(11) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 H33C 0.9800 . ?
C34 C35 1.523(10) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 C37 1.566(14) . ?
C36 C37' 1.595(14) . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
C36 H36C 0.9900 . ?
C36 H36D 0.9900 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.513(15) . ?
C38 H38A 0.9900 . ?
C38 H38B 0.9900 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C41 1.561(16) . ?
C40 C41' 1.617(15) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C40 H40C 0.9900 . ?
C40 H40D 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 C43 1.324(14) . ?
C42 C43' 1.589(16) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C42 H42C 0.9900 . ?
C42 H42D 0.9900 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C25' H25D 0.9800 . ?
C25' H25E 0.9800 . ?
C25' H25F 0.9800 . ?
C29' H29D 0.9800 . ?
C29' H29E 0.9800 . ?
C29' H29F 0.9800 . ?
C31' H31D 0.9800 . ?
C31' H31E 0.9800 . ?
C31' H31F 0.9800 . ?
C37' H37D 0.9800 . ?
C37' H37E 0.9800 . ?
C37' H37F 0.9800 . ?
C41' H41D 0.9800 . ?
C41' H41E 0.9800 . ?
C41' H41F 0.9800 . ?
C43' H43D 0.9800 . ?
C43' H43E 0.9800 . ?
C43' H43F 0.9800 . ?
C44 Cl2 1.635(19) . ?
C44 Cl1 1.737(18) . ?
C44 Cl3 1.97(2) . ?
C44 H44 1.0000 . ?
C44' Cl3' 1.61(2) . ?
C44' Cl1' 1.666(19) . ?
C44' Cl2' 1.94(2) . ?
C44' H44' 1.0000 . ?
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
C16 Pt1 P1 C22 -61.9(3) 2 . . . ?
O1 Pt1 P1 C22 116.1(2) . . . . ?
P2 Pt1 P1 C22 45.9(5) . . . . ?
C16 Pt1 P1 C20 60.9(3) 2 . . . ?
O1 Pt1 P1 C20 -121.1(2) . . . . ?
P2 Pt1 P1 C20 168.7(5) . . . . ?
C16 Pt1 P1 C24 -178.6(3) 2 . . . ?
O1 Pt1 P1 C24 -0.6(3) . . . . ?
P2 Pt1 P1 C24 -70.7(5) . . . . ?
C16 Pt1 P2 C28 -135.2(3) 2 . . . ?
O1 Pt1 P2 C28 46.4(2) . . . . ?
P1 Pt1 P2 C28 116.9(5) . . . . ?
C16 Pt1 P2 C26 108.4(3) 2 . . . ?
O1 Pt1 P2 C26 -70.0(2) . . . . ?
P1 Pt1 P2 C26 0.5(6) . . . . ?
C16 Pt1 P2 C30 -11.6(4) 2 . . . ?
O1 Pt1 P2 C30 169.9(4) . . . . ?
P1 Pt1 P2 C30 -119.5(6) . . . . ?
C6 Pt2 P3 C36 -115.8(3) . . . . ?
O5 Pt2 P3 C36 61.7(3) . . . . ?
P4 Pt2 P3 C36 6.3(17) . . . . ?
C6 Pt2 P3 C32 128.4(4) . . . . ?
O5 Pt2 P3 C32 -54.1(3) . . . . ?
P4 Pt2 P3 C32 -109.5(17) . . . . ?
C6 Pt2 P3 C34 3.0(3) . . . . ?
O5 Pt2 P3 C34 -179.4(3) . . . . ?
P4 Pt2 P3 C34 125.1(17) . . . . ?
C6 Pt2 P4 C40 67.9(3) . . . . ?
O5 Pt2 P4 C40 -109.5(3) . . . . ?
P3 Pt2 P4 C40 -54.2(17) . . . . ?
C6 Pt2 P4 C42 -172.1(4) . . . . ?
O5 Pt2 P4 C42 10.4(4) . . . . ?
P3 Pt2 P4 C42 65.7(18) . . . . ?
C6 Pt2 P4 C38 -49.8(4) . . . . ?
O5 Pt2 P4 C38 132.7(4) . . . . ?
P3 Pt2 P4 C38 -172.0(17) . . . . ?
C16 Pt1 O1 C1 74.0(19) 2 . . . ?
P2 Pt1 O1 C1 90.7(4) . . . . ?
P1 Pt1 O1 C1 -83.7(4) . . . . ?
C6 Pt2 O5 C5 147(3) . . . . ?
P3 Pt2 O5 C5 98.9(5) . . . . ?
P4 Pt2 O5 C5 -82.8(5) . . . . ?
Pt1 O1 C1 C5 -167.0(4) . . . . ?
Pt1 O1 C1 C2 13.4(8) . . . . ?
O1 C1 C2 O2 2.1(10) . . . . ?
C5 C1 C2 O2 -177.6(6) . . . . ?
O1 C1 C2 C3 -179.2(6) . . . . ?
C5 C1 C2 C3 1.1(7) . . . . ?
O2 C2 C3 O3 -1.7(12) . . . . ?
C1 C2 C3 O3 179.7(7) . . . . ?
O2 C2 C3 C4 178.2(7) . . . . ?
C1 C2 C3 C4 -0.4(7) . . . . ?
O3 C3 C4 O4 0.0(14) . . . . ?
C2 C3 C4 O4 -179.9(8) . . . . ?
O3 C3 C4 C5 179.6(7) . . . . ?
C2 C3 C4 C5 -0.4(8) . . . . ?
Pt2 O5 C5 C1 -168.9(4) . . . . ?
Pt2 O5 C5 C4 14.1(10) . . . . ?
O1 C1 C5 O5 1.5(10) . . . . ?
C2 C1 C5 O5 -178.8(6) . . . . ?
O1 C1 C5 C4 179.0(6) . . . . ?
C2 C1 C5 C4 -1.3(7) . . . . ?
O4 C4 C5 O5 -2.1(13) . . . . ?
C3 C4 C5 O5 178.3(6) . . . . ?
O4 C4 C5 C1 -179.4(8) . . . . ?
C3 C4 C5 C1 1.1(8) . . . . ?
O5 Pt2 C6 C7 -150(3) . . . . ?
P3 Pt2 C6 C7 -101.6(4) . . . . ?
P4 Pt2 C6 C7 80.2(4) . . . . ?
O5 Pt2 C6 C19 30(4) . . . . ?
P3 Pt2 C6 C19 78.6(4) . . . . ?
P4 Pt2 C6 C19 -99.7(4) . . . . ?
C19 C6 C7 C8 3.2(8) . . . . ?
Pt2 C6 C7 C8 -176.6(4) . . . . ?
C6 C7 C8 C9 1.6(9) . . . . ?
C7 C8 C9 C10 -3.3(8) . . . . ?
C8 C9 C10 C11 -178.2(5) . . . . ?
C8 C9 C10 C19 0.0(8) . . . . ?
C9 C10 C11 C12 174.7(5) . . . . ?
C19 C10 C11 C12 -3.5(8) . . . . ?
C10 C11 C12 C13 179.3(5) . . . . ?
C10 C11 C12 C17 -1.6(8) . . . . ?
C11 C12 C13 C14 177.4(5) . . . . ?
C17 C12 C13 C14 -1.7(8) . . . . ?
C12 C13 C14 C15 -1.4(9) . . . . ?
C13 C14 C15 C16 1.6(9) . . . . ?
C14 C15 C16 C17 1.4(8) . . . . ?
C14 C15 C16 Pt1 176.6(4) . . . 2 ?
C11 C12 C17 C18 5.2(7) . . . . ?
C13 C12 C17 C18 -175.7(5) . . . . ?
C11 C12 C17 C16 -174.5(5) . . . . ?
C13 C12 C17 C16 4.7(7) . . . . ?
C15 C16 C17 C18 175.9(5) . . . . ?
Pt1 C16 C17 C18 1.2(7) 2 . . . ?
C15 C16 C17 C12 -4.5(7) . . . . ?
Pt1 C16 C17 C12 -179.2(4) 2 . . . ?
C12 C17 C18 C19 -4.0(7) . . . . ?
C16 C17 C18 C19 175.6(5) . . . . ?
C17 C18 C19 C10 -0.9(7) . . . . ?
C17 C18 C19 C6 -179.1(5) . . . . ?
C11 C10 C19 C18 4.7(7) . . . . ?
C9 C10 C19 C18 -173.6(5) . . . . ?
C11 C10 C19 C6 -177.0(5) . . . . ?
C9 C10 C19 C6 4.8(7) . . . . ?
C7 C6 C19 C18 172.0(5) . . . . ?
Pt2 C6 C19 C18 -8.2(7) . . . . ?
C7 C6 C19 C10 -6.3(7) . . . . ?
Pt2 C6 C19 C10 173.6(4) . . . . ?
C22 P1 C20 C21 57.7(5) . . . . ?
C24 P1 C20 C21 166.5(5) . . . . ?
Pt1 P1 C20 C21 -67.8(5) . . . . ?
C20 P1 C22 C23 56.0(5) . . . . ?
C24 P1 C22 C23 -50.8(5) . . . . ?
Pt1 P1 C22 C23 -172.2(4) . . . . ?
C22 P1 C24 C25' 82.7(10) . . . . ?
C20 P1 C24 C25' -26.2(11) . . . . ?
Pt1 P1 C24 C25' -157.2(10) . . . . ?
C22 P1 C24 C25 168.6(8) . . . . ?
C20 P1 C24 C25 59.8(8) . . . . ?
Pt1 P1 C24 C25 -71.3(8) . . . . ?
C28 P2 C26 C27 -179.8(6) . . . . ?
C30 P2 C26 C27 67.5(7) . . . . ?
Pt1 P2 C26 C27 -60.2(6) . . . . ?
C26 P2 C28 C29' -57.9(8) . . . . ?
C30 P2 C28 C29' 53.1(8) . . . . ?
Pt1 P2 C28 C29' -177.3(7) . . . . ?
C26 P2 C28 C29 159.9(6) . . . . ?
C30 P2 C28 C29 -89.2(7) . . . . ?
Pt1 P2 C28 C29 40.5(7) . . . . ?
C28 P2 C30 C31 -85.9(10) . . . . ?
C26 P2 C30 C31 25.7(10) . . . . ?
Pt1 P2 C30 C31 148.7(8) . . . . ?
C28 P2 C30 C31' -47.8(10) . . . . ?
C26 P2 C30 C31' 63.8(10) . . . . ?
Pt1 P2 C30 C31' -173.2(8) . . . . ?
C36 P3 C32 C33 -173.3(6) . . . . ?
C34 P3 C32 C33 79.2(7) . . . . ?
Pt2 P3 C32 C33 -53.6(7) . . . . ?
C36 P3 C34 C35 -165.0(6) . . . . ?
C32 P3 C34 C35 -56.1(6) . . . . ?
Pt2 P3 C34 C35 71.8(6) . . . . ?
C32 P3 C36 C37 83.2(9) . . . . ?
C34 P3 C36 C37 -166.4(9) . . . . ?
Pt2 P3 C36 C37 -37.1(9) . . . . ?
C32 P3 C36 C37' -44.2(7) . . . . ?
C34 P3 C36 C37' 66.3(7) . . . . ?
Pt2 P3 C36 C37' -164.4(6) . . . . ?
C40 P4 C38 C39 172.9(6) . . . . ?
C42 P4 C38 C39 63.0(7) . . . . ?
Pt2 P4 C38 C39 -66.1(7) . . . . ?
C42 P4 C40 C41 44.2(12) . . . . ?
C38 P4 C40 C41 -64.6(12) . . . . ?
Pt2 P4 C40 C41 170.9(11) . . . . ?
C42 P4 C40 C41' 60.1(7) . . . . ?
C38 P4 C40 C41' -48.7(7) . . . . ?
Pt2 P4 C40 C41' -173.3(6) . . . . ?
C40 P4 C42 C43 58.7(10) . . . . ?
C38 P4 C42 C43 167.8(10) . . . . ?
Pt2 P4 C42 C43 -63.8(11) . . . . ?
C40 P4 C42 C43' -56.7(10) . . . . ?
C38 P4 C42 C43' 52.4(10) . . . . ?
Pt2 P4 C42 C43' -179.3(8) . . . . ?
