#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/57/4305757.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_4305757
loop_
_publ_author_name
'Peili Teo'
'L. L. Koh'
'T. S. Andy Hor'
_publ_section_title
;
Oligo- and Polymeric PdII and PtII Using Pyridyl Carboxylate Spacers for
Topology Control
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6464
_journal_page_last               6474
_journal_paper_doi               10.1021/ic8007238
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C89 H74.5 Cl7.5 F10.5 N2 O5.5 P5.5 Pt2 S0.5'
_chemical_formula_weight         2301.93
_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                102.729(2)
_cell_angle_beta                 103.045(2)
_cell_angle_gamma                98.305(2)
_cell_formula_units_Z            2
_cell_length_a                   11.0226(10)
_cell_length_b                   19.5742(17)
_cell_length_c                   23.097(2)
_cell_measurement_reflns_used    7318
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.39
_cell_measurement_theta_min      2.31
_cell_volume                     4635.5(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0294
_diffrn_reflns_av_sigmaI/netI    0.0323
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            49713
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         0.94
_exptl_absorpt_coefficient_mu    3.410
_exptl_absorpt_correction_T_max  0.4950
_exptl_absorpt_correction_T_min  0.3424
_exptl_absorpt_correction_type   'Sadabs, (Sheldrick 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.649
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2270
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.36
_exptl_crystal_size_min          0.24
_refine_diff_density_max         3.297
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.122
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1262
_refine_ls_number_reflns         16326
_refine_ls_number_restraints     92
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0372
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0577P)²+14.0119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1024
_refine_ls_wR_factor_ref         0.1060
_reflns_number_gt                14562
_reflns_number_total             16326
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8007238-file003_08.cif
_cod_data_source_block           7403_complex_5
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_formula_sum
'C89 H74.50 Cl7.50 F10.50 N2 O5.50 P5.50 Pt2 S0.50'
_cod_database_code               4305757
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 0.792903(17) 0.741658(10) 0.541599(8) 0.02521(7) Uani 1 1 d . . .
Pt2 Pt 0.627829(18) 0.749540(10) 0.867074(8) 0.02739(7) Uani 1 1 d . A .
P1 P 0.70499(13) 0.67310(7) 0.44345(6) 0.0296(3) Uani 1 1 d . . .
P2 P 0.85851(12) 0.84452(7) 0.51906(6) 0.0277(3) Uani 1 1 d . . .
P3 P 0.49149(12) 0.66178(7) 0.88093(6) 0.0282(3) Uani 1 1 d . . .
P4 P 0.58656(14) 0.84354(7) 0.93225(6) 0.0334(3) Uani 1 1 d . . .
N1 N 0.8497(4) 0.7917(2) 0.63532(18) 0.0268(9) Uani 1 1 d . . .
N2 N 0.6655(4) 0.6807(2) 0.79245(18) 0.0268(9) Uani 1 1 d . . .
O1 O 0.7427(4) 0.8274(2) 0.84558(19) 0.0445(10) Uani 1 1 d . . .
O2 O 0.9178(4) 0.7894(3) 0.8843(2) 0.0542(11) Uani 1 1 d . . .
O3 O 0.7290(3) 0.65116(18) 0.56804(16) 0.0312(8) Uani 1 1 d . . .
O4 O 0.9274(4) 0.6416(2) 0.6096(2) 0.0504(11) Uani 1 1 d . . .
C1 C 0.9678(5) 0.8014(3) 0.6711(2) 0.0337(12) Uani 1 1 d . . .
H1 H 1.0310 0.7876 0.6532 0.040 Uiso 1 1 calc R . .
C2 C 0.9987(5) 0.8309(3) 0.7334(3) 0.0407(14) Uani 1 1 d . . .
H2 H 1.0818 0.8371 0.7570 0.049 Uiso 1 1 calc R . .
C3 C 0.9060(6) 0.8519(3) 0.7617(2) 0.0386(13) Uani 1 1 d . A .
C4 C 0.7849(6) 0.8422(3) 0.7241(3) 0.0381(13) Uani 1 1 d . . .
H4 H 0.7204 0.8561 0.7410 0.046 Uiso 1 1 calc R . .
C5 C 0.7590(5) 0.8122(3) 0.6617(2) 0.0315(11) Uani 1 1 d . . .
H5 H 0.6767 0.8058 0.6371 0.038 Uiso 1 1 calc R . .
C6 C 0.9354(7) 0.8808(4) 0.8304(3) 0.058(2) Uani 1 1 d . . .
H6A H 0.9098 0.9265 0.8401 0.070 Uiso 1 1 calc R A .
H6B H 1.0262 0.8883 0.8487 0.070 Uiso 1 1 calc R . .
C7 C 0.8635(7) 0.8274(3) 0.8572(3) 0.0453(16) Uani 1 1 d . A .
C8 C 0.7494(5) 0.6381(3) 0.7955(2) 0.0309(11) Uani 1 1 d . A .
H8 H 0.7902 0.6333 0.8339 0.037 Uiso 1 1 calc R . .
C9 C 0.7780(5) 0.6011(3) 0.7444(2) 0.0323(11) Uani 1 1 d . . .
H9 H 0.8375 0.5721 0.7487 0.039 Uiso 1 1 calc R A .
C10 C 0.7194(5) 0.6064(3) 0.6864(2) 0.0298(11) Uani 1 1 d . A .
C11 C 0.6297(5) 0.6496(3) 0.6833(2) 0.0319(11) Uani 1 1 d . . .
H11 H 0.5857 0.6540 0.6453 0.038 Uiso 1 1 calc R A .
C12 C 0.6062(5) 0.6856(3) 0.7360(2) 0.0324(11) Uani 1 1 d . A .
H12 H 0.5468 0.7147 0.7329 0.039 Uiso 1 1 calc R . .
C13 C 0.7544(6) 0.5696(3) 0.6294(3) 0.0406(13) Uani 1 1 d . . .
H13A H 0.6789 0.5390 0.5996 0.049 Uiso 1 1 calc R A .
H13B H 0.8144 0.5398 0.6403 0.049 Uiso 1 1 calc R . .
C14 C 0.8140(6) 0.6252(3) 0.6008(2) 0.0343(12) Uani 1 1 d . A .
C1A C 0.5330(5) 0.6494(3) 0.4286(2) 0.0340(12) Uani 1 1 d . . .
C2A C 0.4542(6) 0.6247(3) 0.3679(3) 0.0486(15) Uani 1 1 d . . .
H2A H 0.4908 0.6200 0.3350 0.058 Uiso 1 1 calc R . .
C3A C 0.3238(6) 0.6076(4) 0.3565(3) 0.0537(17) Uani 1 1 d . . .
H3A H 0.2730 0.5915 0.3162 0.064 Uiso 1 1 calc R . .
C4A C 0.2692(6) 0.6141(3) 0.4043(3) 0.0485(15) Uani 1 1 d . . .
H4A H 0.1811 0.6033 0.3965 0.058 Uiso 1 1 calc R . .
C5A C 0.3444(6) 0.6368(3) 0.4644(3) 0.0508(16) Uani 1 1 d . . .
H5A H 0.3070 0.6403 0.4970 0.061 Uiso 1 1 calc R . .
C6A C 0.4746(6) 0.6540(3) 0.4759(3) 0.0446(14) Uani 1 1 d . . .
H6A1 H 0.5244 0.6691 0.5165 0.054 Uiso 1 1 calc R . .
C1B C 0.7618(5) 0.5895(3) 0.4321(2) 0.0346(12) Uani 1 1 d . . .
C2B C 0.8906(6) 0.5916(3) 0.4533(3) 0.0423(13) Uani 1 1 d . . .
H2B H 0.9449 0.6346 0.4767 0.051 Uiso 1 1 calc R . .
C3B C 0.9390(7) 0.5306(4) 0.4400(3) 0.0524(16) Uani 1 1 d . . .
H3B H 1.0258 0.5325 0.4538 0.063 Uiso 1 1 calc R . .
C4B C 0.8580(8) 0.4667(4) 0.4061(3) 0.063(2) Uani 1 1 d . . .
H4B H 0.8907 0.4256 0.3968 0.076 Uiso 1 1 calc R . .
C5B C 0.7307(8) 0.4633(4) 0.3862(4) 0.067(2) Uani 1 1 d . . .
H5B H 0.6765 0.4198 0.3643 0.080 Uiso 1 1 calc R . .
C6B C 0.6818(6) 0.5252(3) 0.3987(3) 0.0491(15) Uani 1 1 d . . .
H6B1 H 0.5951 0.5231 0.3844 0.059 Uiso 1 1 calc R . .
C1C C 0.7278(6) 0.7058(3) 0.3777(2) 0.0372(12) Uani 1 1 d . . .
C2C C 0.8197(6) 0.6864(3) 0.3488(3) 0.0460(15) Uani 1 1 d . . .
H2C H 0.8706 0.6563 0.3629 0.055 Uiso 1 1 calc R . .
C3C C 0.8360(9) 0.7115(4) 0.2989(3) 0.067(2) Uani 1 1 d . . .
H3C H 0.8994 0.6992 0.2805 0.080 Uiso 1 1 calc R . .
C4C C 0.7603(11) 0.7541(5) 0.2767(4) 0.086(3) Uani 1 1 d . . .
H4C H 0.7694 0.7690 0.2421 0.103 Uiso 1 1 calc R . .
C5C C 0.6703(10) 0.7749(4) 0.3055(4) 0.080(3) Uani 1 1 d . . .
H5C H 0.6207 0.8054 0.2912 0.096 Uiso 1 1 calc R . .
C6C C 0.6530(8) 0.7511(4) 0.3554(3) 0.0578(18) Uani 1 1 d . . .
H6C H 0.5913 0.7652 0.3743 0.069 Uiso 1 1 calc R . .
C1D C 0.7285(5) 0.8845(3) 0.4888(2) 0.0349(12) Uani 1 1 d . . .
C2D C 0.7502(7) 0.9492(4) 0.4720(3) 0.0512(16) Uani 1 1 d . . .
H2D H 0.8328 0.9725 0.4765 0.061 Uiso 1 1 calc R . .
C3D C 0.6478(8) 0.9778(4) 0.4488(4) 0.066(2) Uani 1 1 d . . .
H3D H 0.6617 1.0198 0.4366 0.080 Uiso 1 1 calc R . .
C4D C 0.5271(8) 0.9448(5) 0.4436(3) 0.070(2) Uani 1 1 d . . .
H4D H 0.4591 0.9641 0.4272 0.084 Uiso 1 1 calc R . .
C5D C 0.5042(7) 0.8830(4) 0.4624(4) 0.0620(19) Uani 1 1 d . . .
H5D H 0.4215 0.8616 0.4599 0.074 Uiso 1 1 calc R . .
C6D C 0.6052(6) 0.8532(3) 0.4848(3) 0.0462(14) Uani 1 1 d . . .
H6D H 0.5901 0.8115 0.4974 0.055 Uiso 1 1 calc R . .
C1E C 0.9625(5) 0.8340(3) 0.4686(2) 0.0309(11) Uani 1 1 d . . .
C2E C 0.9621(6) 0.8650(3) 0.4204(3) 0.0390(13) Uani 1 1 d . . .
H2E H 0.9037 0.8934 0.4109 0.047 Uiso 1 1 calc R . .
C3E C 1.0491(7) 0.8537(3) 0.3860(3) 0.0503(16) Uani 1 1 d . . .
H3E H 1.0475 0.8739 0.3531 0.060 Uiso 1 1 calc R . .
C4E C 1.1371(6) 0.8132(4) 0.4002(3) 0.0499(15) Uani 1 1 d . . .
H4E H 1.1950 0.8060 0.3768 0.060 Uiso 1 1 calc R . .
C5E C 1.1403(6) 0.7828(3) 0.4491(3) 0.0446(14) Uani 1 1 d . . .
H5E H 1.2015 0.7563 0.4593 0.053 Uiso 1 1 calc R . .
C6E C 1.0530(5) 0.7921(3) 0.4824(3) 0.0366(12) Uani 1 1 d . . .
H6E H 1.0536 0.7704 0.5144 0.044 Uiso 1 1 calc R . .
C1F C 0.9537(5) 0.9147(3) 0.5874(2) 0.0352(12) Uani 1 1 d . . .
C2F C 1.0844(6) 0.9279(3) 0.6037(3) 0.0429(14) Uani 1 1 d . . .
H2F H 1.1270 0.9030 0.5784 0.051 Uiso 1 1 calc R . .
C3F C 1.1530(7) 0.9783(4) 0.6581(3) 0.0565(17) Uani 1 1 d . . .
H3F H 1.2415 0.9877 0.6685 0.068 Uiso 1 1 calc R . .
C4F C 1.0915(8) 1.0143(3) 0.6963(3) 0.061(2) Uani 1 1 d . . .
H4F H 1.1378 1.0475 0.7329 0.073 Uiso 1 1 calc R . .
C5F C 0.9621(8) 1.0012(3) 0.6806(3) 0.0576(18) Uani 1 1 d . . .
H5F H 0.9202 1.0255 0.7068 0.069 Uiso 1 1 calc R . .
C6F C 0.8915(7) 0.9517(3) 0.6258(3) 0.0445(14) Uani 1 1 d . . .
H6F H 0.8031 0.9436 0.6150 0.053 Uiso 1 1 calc R . .
C1G C 0.5053(5) 0.5724(3) 0.8420(2) 0.0299(11) Uani 1 1 d . . .
C2G C 0.4183(6) 0.5301(3) 0.7883(3) 0.0457(14) Uani 1 1 d . . .
H2G H 0.3503 0.5475 0.7691 0.055 Uiso 1 1 calc R . .
C3G C 0.4335(7) 0.4618(4) 0.7636(3) 0.0616(19) Uani 1 1 d . . .
H3G H 0.3749 0.4335 0.7277 0.074 Uiso 1 1 calc R . .
C4G C 0.5321(7) 0.4352(3) 0.7907(3) 0.0549(17) Uani 1 1 d . . .
H4G H 0.5397 0.3888 0.7736 0.066 Uiso 1 1 calc R . .
C5G C 0.6209(6) 0.4768(3) 0.8434(3) 0.0454(14) Uani 1 1 d . . .
H5G H 0.6898 0.4592 0.8614 0.054 Uiso 1 1 calc R . .
C6G C 0.6068(6) 0.5453(3) 0.8695(3) 0.0385(13) Uani 1 1 d . . .
H6G H 0.6656 0.5732 0.9055 0.046 Uiso 1 1 calc R . .
C1H C 0.3300(5) 0.6692(3) 0.8484(3) 0.0369(12) Uani 1 1 d . . .
C2H C 0.3032(6) 0.6791(4) 0.7886(3) 0.0512(16) Uani 1 1 d . . .
H2H H 0.3661 0.6796 0.7678 0.061 Uiso 1 1 calc R . .
C3H C 0.1831(6) 0.6881(4) 0.7605(3) 0.0576(18) Uani 1 1 d . . .
H3H H 0.1651 0.6938 0.7208 0.069 Uiso 1 1 calc R . .
C4H C 0.0914(6) 0.6886(4) 0.7921(4) 0.0590(18) Uani 1 1 d . . .
H4H H 0.0114 0.6955 0.7737 0.071 Uiso 1 1 calc R . .
C5H C 0.1168(6) 0.6792(4) 0.8508(3) 0.0529(16) Uani 1 1 d . . .
H5H H 0.0539 0.6800 0.8717 0.063 Uiso 1 1 calc R . .
C6H C 0.2350(5) 0.6683(3) 0.8789(3) 0.0415(13) Uani 1 1 d . . .
H6H H 0.2505 0.6606 0.9179 0.050 Uiso 1 1 calc R . .
C1I C 0.5114(5) 0.6513(3) 0.9585(2) 0.0322(11) Uani 1 1 d . . .
C2I C 0.6197(5) 0.6883(3) 1.0046(2) 0.0379(12) Uani 1 1 d . . .
H2I H 0.6774 0.7224 0.9968 0.045 Uiso 1 1 calc R . .
C3I C 0.6432(7) 0.6751(4) 1.0625(3) 0.0525(16) Uani 1 1 d . . .
H3I H 0.7162 0.6999 1.0933 0.063 Uiso 1 1 calc R . .
C4I C 0.5561(7) 0.6245(4) 1.0735(3) 0.0595(19) Uani 1 1 d . . .
H4I H 0.5693 0.6165 1.1125 0.071 Uiso 1 1 calc R . .
C5I C 0.4493(7) 0.5855(4) 1.0272(3) 0.0606(19) Uani 1 1 d . . .
H5I H 0.3933 0.5502 1.0346 0.073 Uiso 1 1 calc R . .
C6I C 0.4264(6) 0.5992(4) 0.9702(3) 0.0481(15) Uani 1 1 d . . .
H6I H 0.3541 0.5737 0.9393 0.058 Uiso 1 1 calc R . .
C1J C 0.4632(3) 0.88244(18) 0.88630(14) 0.030(2) Uani 0.50 1 d PG A -1
C2J C 0.4426(4) 0.8706(2) 0.82294(14) 0.039(3) Uani 0.50 1 d PG A -1
H2J H 0.4840 0.8393 0.8020 0.046 Uiso 0.50 1 calc PR A -1
C3J C 0.3603(4) 0.9053(3) 0.79090(17) 0.046(3) Uani 0.50 1 d PG A -1
H3J H 0.3465 0.8974 0.7485 0.056 Uiso 0.50 1 calc PR A -1
C4J C 0.2985(4) 0.9520(3) 0.8222(2) 0.044(3) Uani 0.50 1 d PG A -1
H4J H 0.2434 0.9753 0.8008 0.052 Uiso 0.50 1 calc PR A -1
C5J C 0.3190(4) 0.9639(2) 0.8856(2) 0.047(3) Uani 0.50 1 d PG A -1
H5J H 0.2777 0.9951 0.9065 0.056 Uiso 0.50 1 calc PR A -1
C6J C 0.4014(3) 0.92910(19) 0.91761(18) 0.038(2) Uani 0.50 1 d PG A -1
H6J H 0.4151 0.9370 0.9600 0.045 Uiso 0.50 1 calc PR A -1
C1K C 0.5167(4) 0.83132(18) 0.99532(17) 0.035(3) Uani 0.50 1 d PG A -1
C2K C 0.3860(4) 0.8088(2) 0.9837(2) 0.043(4) Uani 0.50 1 d PG A -1
H2K H 0.3339 0.7999 0.9439 0.052 Uiso 0.50 1 calc PR A -1
C3K C 0.3332(4) 0.7997(3) 1.0314(2) 0.041(4) Uani 0.50 1 d PG A -1
H3K H 0.2457 0.7847 1.0236 0.049 Uiso 0.50 1 calc PR A -1
C4K C 0.4111(5) 0.8131(3) 1.0908(2) 0.069(5) Uani 0.50 1 d PG A -1
H4K H 0.3758 0.8070 1.1227 0.082 Uiso 0.50 1 calc PR A -1
C5K C 0.5418(5) 0.8356(3) 1.10243(19) 0.058(4) Uani 0.50 1 d PG A -1
H5K H 0.5940 0.8446 1.1422 0.070 Uiso 0.50 1 calc PR A -1
C6K C 0.5947(4) 0.8447(2) 1.05470(16) 0.043(3) Uani 0.50 1 d PG A -1
H6K H 0.6821 0.8598 1.0625 0.052 Uiso 0.50 1 calc PR A -1
C1L C 0.7199(3) 0.91022(19) 0.96143(14) 0.032(2) Uani 0.50 1 d PG A -1
C2L C 0.8294(3) 0.8910(2) 0.99089(18) 0.037(2) Uani 0.50 1 d PG A -1
H2L H 0.8274 0.8442 0.9935 0.044 Uiso 0.50 1 calc PR A -1
C3L C 0.9419(3) 0.9419(3) 1.0165(2) 0.045(3) Uani 0.50 1 d PG A -1
H3L H 1.0151 0.9291 1.0362 0.054 Uiso 0.50 1 calc PR A -1
C4L C 0.9449(3) 1.0120(3) 1.0126(2) 0.051(3) Uani 0.50 1 d PG A -1
H4L H 1.0202 1.0460 1.0297 0.062 Uiso 0.50 1 calc PR A -1
C5L C 0.8355(4) 1.0312(2) 0.9831(2) 0.049(3) Uani 0.50 1 d PG A -1
H5L H 0.8375 1.0780 0.9805 0.059 Uiso 0.50 1 calc PR A -1
C6L C 0.7230(3) 0.98028(19) 0.95755(16) 0.040(3) Uani 0.50 1 d PG A -1
H6L H 0.6498 0.9931 0.9378 0.048 Uiso 0.50 1 calc PR A -1
C11J C 0.6019(4) 0.9139(2) 0.89351(16) 0.043(3) Uani 0.50 1 d PG A -2
C12J C 0.6802(5) 0.9813(2) 0.9187(2) 0.056(3) Uani 0.50 1 d PGU A -2
H12J H 0.7343 0.9926 0.9582 0.067 Uiso 0.50 1 calc PR A -2
C13J C 0.6778(6) 1.0319(3) 0.8848(3) 0.092(6) Uani 0.50 1 d PGU A -2
H13J H 0.7302 1.0770 0.9017 0.111 Uiso 0.50 1 calc PR A -2
C14J C 0.5970(7) 1.0150(4) 0.8257(3) 0.111(8) Uani 0.50 1 d PGU A -2
H14J H 0.5953 1.0488 0.8031 0.133 Uiso 0.50 1 calc PR A -2
C15J C 0.5186(7) 0.9475(4) 0.8005(2) 0.091(6) Uani 0.50 1 d PGU A -2
H15J H 0.4646 0.9362 0.7610 0.109 Uiso 0.50 1 calc PR A -2
C16J C 0.5211(5) 0.8970(3) 0.83443(17) 0.060(4) Uani 0.50 1 d PGU A -2
H16J H 0.4687 0.8519 0.8176 0.072 Uiso 0.50 1 calc PR A -2
C11K C 0.7182(3) 0.8826(2) 1.00806(16) 0.034(2) Uani 0.50 1 d PG A -2
C12K C 0.8288(4) 0.8556(3) 1.0183(2) 0.037(2) Uani 0.50 1 d PG A -2
H12K H 0.8437 0.8219 0.9869 0.045 Uiso 0.50 1 calc PR A -2
C13K C 0.9172(4) 0.8791(3) 1.0756(2) 0.049(3) Uani 0.50 1 d PG A -2
H13K H 0.9912 0.8611 1.0825 0.059 Uiso 0.50 1 calc PR A -2
C14K C 0.8949(4) 0.9296(3) 1.1227(2) 0.056(4) Uani 0.50 1 d PG A -2
H14K H 0.9540 0.9453 1.1610 0.068 Uiso 0.50 1 calc PR A -2
C15K C 0.7843(5) 0.9565(3) 1.11238(16) 0.053(3) Uani 0.50 1 d PG A -2
H15K H 0.7694 0.9903 1.1438 0.064 Uiso 0.50 1 calc PR A -2
C16K C 0.6959(4) 0.9330(2) 1.05509(15) 0.048(3) Uani 0.50 1 d PG A -2
H16K H 0.6219 0.9511 1.0482 0.057 Uiso 0.50 1 calc PR A -2
C11L C 0.4459(3) 0.8390(2) 0.95616(19) 0.039(3) Uani 0.50 1 d PG A -2
C12L C 0.4337(4) 0.8123(2) 1.0060(2) 0.038(3) Uani 0.50 1 d PG A -2
H12L H 0.5025 0.7987 1.0290 0.045 Uiso 0.50 1 calc PR A -2
C13L C 0.3187(4) 0.8059(3) 1.0216(3) 0.085(8) Uani 0.50 1 d PG A -2
H13L H 0.3105 0.7880 1.0550 0.102 Uiso 0.50 1 calc PR A -2
C14L C 0.2159(4) 0.8261(4) 0.9873(3) 0.072(5) Uani 0.50 1 d PG A -2
H14L H 0.1389 0.8218 0.9977 0.086 Uiso 0.50 1 calc PR A -2
C15L C 0.2281(3) 0.8528(3) 0.9374(3) 0.072(5) Uani 0.50 1 d PG A -2
H15L H 0.1593 0.8664 0.9145 0.087 Uiso 0.50 1 calc PR A -2
C16L C 0.3431(3) 0.8592(3) 0.9219(2) 0.055(3) Uani 0.50 1 d PG A -2
H16L H 0.3513 0.8771 0.8885 0.066 Uiso 0.50 1 calc PR A -2
F1 F 0.4775(5) 0.8205(3) 0.6803(3) 0.1049(13) Uani 1 1 d D B .
F2 F 0.2325(5) 0.7317(3) 0.5767(3) 0.1049(13) Uani 1 1 d D B .
P5 P 0.35471(17) 0.77900(12) 0.62875(9) 0.0612(5) Uani 1 1 d D . .
F3 F 0.3162(15) 0.7318(7) 0.6700(6) 0.122(4) Uani 0.50 1 d PD B 1
F4 F 0.3786(14) 0.8087(8) 0.5737(5) 0.122(4) Uani 0.50 1 d PD B 1
F5 F 0.4326(12) 0.7192(7) 0.6073(5) 0.118(4) Uani 0.50 1 d PD B 1
F6 F 0.2622(10) 0.8248(7) 0.6402(5) 0.118(4) Uani 0.50 1 d PD B 1
F3B F 0.4379(13) 0.7614(9) 0.5863(6) 0.137(5) Uani 0.50 1 d PD B 2
F4B F 0.2881(12) 0.8092(8) 0.6820(5) 0.137(5) Uani 0.50 1 d PD B 2
F5B F 0.3615(14) 0.7126(7) 0.6526(8) 0.126(4) Uani 0.50 1 d PD B 2
F6B F 0.3562(12) 0.8556(5) 0.6158(7) 0.126(4) Uani 0.50 1 d PD B 2
C1S C 0.9513(11) 0.5451(9) 0.1944(5) 0.138(6) Uani 1 1 d . . .
H1S H 1.0024 0.5940 0.2086 0.165 Uiso 1 1 calc R . .
Cl1A Cl 1.0453(3) 0.50482(19) 0.15537(17) 0.1252(12) Uani 1 1 d . . .
Cl1B Cl 0.9553(2) 0.52824(16) 0.26443(11) 0.0925(7) Uani 1 1 d . . .
Cl1C Cl 0.8187(3) 0.56102(17) 0.15569(12) 0.1005(8) Uani 1 1 d . . .
C2S C 0.9842(8) 0.6424(4) 0.0265(3) 0.064(2) Uani 1 1 d . . .
H2S H 0.9776 0.6677 0.0669 0.076 Uiso 1 1 calc R . .
Cl2A Cl 1.1420(2) 0.63283(16) 0.03278(14) 0.1051(9) Uani 1 1 d . . .
Cl2C Cl 0.9395(2) 0.69331(11) -0.02640(10) 0.0710(5) Uani 1 1 d . . .
Cl2B Cl 0.88144(18) 0.55895(11) 0.00276(10) 0.0678(5) Uani 1 1 d . . .
P6A P 0.9807(4) 0.83020(19) 1.15852(16) 0.0531(8) Uani 0.50 1 d PD C -1
F7A F 1.0729(17) 0.8523(9) 1.2258(6) 0.097(5) Uani 0.50 1 d PD C -1
F8A F 0.9675(17) 0.7495(6) 1.1587(6) 0.100(5) Uani 0.50 1 d PD C -1
F9A F 0.8883(9) 0.8034(6) 1.0916(4) 0.088(3) Uani 0.50 1 d PD C -1
F10A F 0.9901(13) 0.9109(5) 1.1561(5) 0.100(3) Uani 0.50 1 d PD C -1
F11A F 0.8628(11) 0.8374(7) 1.1856(6) 0.113(4) Uani 0.50 1 d PD C -1
F12A F 1.0955(11) 0.8246(8) 1.1296(6) 0.105(4) Uani 0.50 1 d PD C -1
S6B S 1.1095(6) 0.7680(3) 1.1976(2) 0.100(2) Uani 0.50 1 d PD D -2
O7B O 1.106(2) 0.8279(10) 1.2452(9) 0.101(6) Uani 0.50 1 d P D -2
O8B O 1.1486(15) 0.7895(8) 1.1484(6) 0.087(4) Uani 0.50 1 d P D -2
O9B O 0.9931(13) 0.7188(9) 1.1730(7) 0.083(4) Uani 0.50 1 d P D -2
F3S F 1.2350(14) 0.6806(6) 1.1980(7) 0.140(5) Uani 0.50 1 d PDU D -2
F2S F 1.1687(15) 0.7085(6) 1.2712(6) 0.135(5) Uani 0.50 1 d PDU D -2
F1S F 1.3214(12) 0.7814(9) 1.2581(9) 0.199(8) Uani 0.50 1 d PDU D -2
C5S C 1.2203(18) 0.7313(10) 1.2339(9) 0.120 Uiso 0.50 1 d PD D -2
C3S C 1.3658(12) 0.9498(7) 1.2499(5) 0.033(3) Uiso 0.35 1 d PD E -1
H3S H 1.3040 0.9086 1.2501 0.039 Uiso 0.35 1 calc PR E -1
Cl3A Cl 1.3865(7) 1.0187(3) 1.3166(2) 0.0794(19) Uani 0.35 1 d PD E -1
Cl3B Cl 1.5124(4) 0.9252(2) 1.2507(2) 0.0439(9) Uani 0.35 1 d PD E -1
Cl3C Cl 1.3104(5) 0.9785(3) 1.1843(2) 0.0633(14) Uani 0.35 1 d PD E -1
C4S C 1.315(4) 0.7814(13) 1.2251(13) 0.100 Uiso 0.15 1 d PD F -3
H4S H 1.2358 0.7902 1.2016 0.120 Uiso 0.15 1 calc PR F -3
Cl4C Cl 1.2867(19) 0.7128(10) 1.2595(9) 0.100 Uiso 0.15 1 d PD F -3
Cl4B Cl 1.3964(18) 0.8557(9) 1.2868(8) 0.100 Uiso 0.15 1 d PD F -3
Cl4A Cl 1.4157(17) 0.7607(9) 1.1790(8) 0.100 Uiso 0.15 1 d PD F -3
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N1 Pt1 O3 85.02(14) . . ?
N1 Pt1 P2 91.37(11) . . ?
O3 Pt1 P2 175.72(10) . . ?
N1 Pt1 P1 169.71(11) . . ?
O3 Pt1 P1 85.64(10) . . ?
P2 Pt1 P1 97.79(5) . . ?
O1 Pt2 N2 83.98(15) . . ?
O1 Pt2 P3 174.44(13) . . ?
N2 Pt2 P3 92.70(11) . . ?
O1 Pt2 P4 84.38(12) . . ?
N2 Pt2 P4 165.38(11) . . ?
P3 Pt2 P4 98.17(5) . . ?
C1A P1 C1B 106.8(3) . . ?
C1A P1 C1C 103.9(3) . . ?
C1B P1 C1C 103.4(2) . . ?
C1A P1 Pt1 110.15(18) . . ?
C1B P1 Pt1 110.42(18) . . ?
C1C P1 Pt1 121.10(18) . . ?
C1D P2 C1E 111.3(2) . . ?
C1D P2 C1F 103.1(3) . . ?
C1E P2 C1F 104.4(3) . . ?
C1D P2 Pt1 112.94(19) . . ?
C1E P2 Pt1 112.02(17) . . ?
C1F P2 Pt1 112.49(17) . . ?
C1H P3 C1I 110.7(3) . . ?
C1H P3 C1G 105.7(3) . . ?
C1I P3 C1G 99.1(2) . . ?
C1H P3 Pt2 109.51(19) . . ?
C1I P3 Pt2 117.66(18) . . ?
C1G P3 Pt2 113.20(16) . . ?
C1L P4 C11L 126.91(18) . . ?
C1L P4 C11J 62.22(18) . . ?
C11L P4 C11J 110.1(2) . . ?
C1L P4 C1K 108.84(18) . . ?
C11L P4 C1K 35.78(18) . . ?
C11J P4 C1K 133.91(19) . . ?
C1L P4 C1J 105.73(17) . . ?
C11L P4 C1J 67.05(18) . . ?
C11J P4 C1J 48.57(18) . . ?
C1K P4 C1J 101.33(17) . . ?
C1L P4 C11K 41.73(16) . . ?
C11L P4 C11K 103.48(18) . . ?
C11J P4 C11K 102.12(19) . . ?
C1K P4 C11K 72.54(17) . . ?
C1J P4 C11K 133.31(16) . . ?
C1L P4 Pt2 109.56(13) . . ?
C11L P4 Pt2 122.81(14) . . ?
C11J P4 Pt2 102.79(15) . . ?
C1K P4 Pt2 121.56(13) . . ?
C1J P4 Pt2 108.51(12) . . ?
C11K P4 Pt2 113.84(13) . . ?
C1 N1 C5 118.5(4) . . ?
C1 N1 Pt1 124.4(3) . . ?
C5 N1 Pt1 117.0(3) . . ?
C8 N2 C12 117.3(4) . . ?
C8 N2 Pt2 126.7(3) . . ?
C12 N2 Pt2 115.7(3) . . ?
C7 O1 Pt2 117.8(4) . . ?
C14 O3 Pt1 117.4(3) . . ?
N1 C1 C2 122.1(5) . . ?
C1 C2 C3 120.3(5) . . ?
C4 C3 C2 117.0(5) . . ?
C4 C3 C6 121.4(6) . . ?
C2 C3 C6 121.6(6) . . ?
C5 C4 C3 120.3(5) . . ?
N1 C5 C4 121.8(5) . . ?
C3 C6 C7 109.5(5) . . ?
O2 C7 O1 126.1(5) . . ?
O2 C7 C6 121.3(7) . . ?
O1 C7 C6 112.5(6) . . ?
N2 C8 C9 122.6(5) . . ?
C8 C9 C10 120.7(5) . . ?
C9 C10 C11 116.5(5) . . ?
C9 C10 C13 121.9(5) . . ?
C11 C10 C13 121.6(5) . . ?
C12 C11 C10 120.0(5) . . ?
N2 C12 C11 122.9(5) . . ?
C10 C13 C14 110.4(4) . . ?
O4 C14 O3 126.1(5) . . ?
O4 C14 C13 121.4(5) . . ?
O3 C14 C13 112.5(5) . . ?
C6A C1A C2A 117.4(5) . . ?
C6A C1A P1 121.8(4) . . ?
C2A C1A P1 120.8(5) . . ?
C3A C2A C1A 120.9(6) . . ?
C4A C3A C2A 120.1(6) . . ?
C3A C4A C5A 120.2(6) . . ?
C6A C5A C4A 119.8(6) . . ?
C5A C6A C1A 121.5(6) . . ?
C6B C1B C2B 119.2(5) . . ?
C6B C1B P1 121.7(5) . . ?
C2B C1B P1 118.8(4) . . ?
C3B C2B C1B 120.5(6) . . ?
C2B C3B C4B 119.7(6) . . ?
C5B C4B C3B 120.5(6) . . ?
C4B C5B C6B 119.9(7) . . ?
C1B C6B C5B 120.1(6) . . ?
C2C C1C C6C 118.4(6) . . ?
C2C C1C P1 120.8(5) . . ?
C6C C1C P1 120.8(5) . . ?
C3C C2C C1C 120.3(7) . . ?
C4C C3C C2C 120.6(8) . . ?
C3C C4C C5C 119.8(7) . . ?
C6C C5C C4C 120.6(8) . . ?
C5C C6C C1C 120.2(8) . . ?
C6D C1D C2D 118.8(5) . . ?
C6D C1D P2 119.6(4) . . ?
C2D C1D P2 121.5(5) . . ?
C3D C2D C1D 119.6(7) . . ?
C4D C3D C2D 120.5(7) . . ?
C3D C4D C5D 120.8(7) . . ?
C6D C5D C4D 119.4(7) . . ?
C1D C6D C5D 120.9(6) . . ?
C2E C1E C6E 118.9(5) . . ?
C2E C1E P2 125.7(4) . . ?
C6E C1E P2 115.4(4) . . ?
C1E C2E C3E 119.8(6) . . ?
C4E C3E C2E 120.7(6) . . ?
C3E C4E C5E 120.2(6) . . ?
C6E C5E C4E 119.8(6) . . ?
C5E C6E C1E 120.6(5) . . ?
C2F C1F C6F 119.4(5) . . ?
C2F C1F P2 121.9(4) . . ?
C6F C1F P2 118.6(5) . . ?
C1F C2F C3F 120.1(6) . . ?
C4F C3F C2F 120.5(7) . . ?
C5F C4F C3F 119.7(6) . . ?
C4F C5F C6F 120.7(7) . . ?
C1F C6F C5F 119.7(7) . . ?
C2G C1G C6G 119.1(5) . . ?
C2G C1G P3 123.5(4) . . ?
C6G C1G P3 117.3(4) . . ?
C3G C2G C1G 119.5(6) . . ?
C4G C3G C2G 121.4(6) . . ?
C3G C4G C5G 120.1(6) . . ?
C4G C5G C6G 119.5(6) . . ?
C5G C6G C1G 120.4(5) . . ?
C6H C1H C2H 119.1(5) . . ?
C6H C1H P3 124.7(4) . . ?
C2H C1H P3 116.1(4) . . ?
C3H C2H C1H 120.5(6) . . ?
C4H C3H C2H 119.4(6) . . ?
C3H C4H C5H 120.6(6) . . ?
C4H C5H C6H 120.7(6) . . ?
C5H C6H C1H 119.6(6) . . ?
C2I C1I C6I 119.4(5) . . ?
C2I C1I P3 120.0(4) . . ?
C6I C1I P3 120.1(4) . . ?
C1I C2I C3I 120.8(6) . . ?
C4I C3I C2I 118.9(6) . . ?
C3I C4I C5I 120.9(6) . . ?
C6I C5I C4I 119.8(6) . . ?
C5I C6I C1I 120.2(6) . . ?
C2J C1J C6J 120.0 . . ?
C2J C1J P4 121.01(10) . . ?
C6J C1J P4 118.70(10) . . ?
C3J C2J C1J 120.0 . . ?
C2J C3J C4J 120.0 . . ?
C5J C4J C3J 120.0 . . ?
C4J C5J C6J 120.0 . . ?
C5J C6J C1J 120.0 . . ?
C2K C1K C6K 120.0 . . ?
C2K C1K P4 120.01(11) . . ?
C6K C1K P4 119.99(11) . . ?
C3K C2K C1K 120.0 . . ?
C2K C3K C4K 120.0 . . ?
C3K C4K C5K 120.0 . . ?
C6K C5K C4K 120.0 . . ?
C5K C6K C1K 120.0 . . ?
C2L C1L C6L 120.0 . . ?
C2L C1L P4 116.08(12) . . ?
C6L C1L P4 123.93(12) . . ?
C3L C2L C1L 120.0 . . ?
C2L C3L C4L 120.0 . . ?
C5L C4L C3L 120.0 . . ?
C4L C5L C6L 120.0 . . ?
C1L C6L C5L 120.0 . . ?
C12J C11J C16J 120.0 . . ?
C12J C11J P4 125.94(11) . . ?
C16J C11J P4 113.98(11) . . ?
C13J C12J C11J 120.0 . . ?
C12J C13J C14J 120.0 . . ?
C13J C14J C15J 120.0 . . ?
C14J C15J C16J 120.0 . . ?
C15J C16J C11J 120.0 . . ?
C16K C11K C12K 120.0 . . ?
C16K C11K P4 119.07(11) . . ?
C12K C11K P4 120.60(11) . . ?
C13K C12K C11K 120.0 . . ?
C14K C13K C12K 120.0 . . ?
C13K C14K C15K 120.0 . . ?
C16K C15K C14K 120.0 . . ?
C11K C16K C15K 120.0 . . ?
C12L C11L C16L 120.0 . . ?
C12L C11L P4 121.59(13) . . ?
C16L C11L P4 118.32(13) . . ?
C11L C12L C13L 120.0 . . ?
C12L C13L C14L 120.0 . . ?
C15L C14L C13L 120.0 . . ?
C14L C15L C16L 120.0 . . ?
C15L C16L C11L 120.0 . . ?
F6 P5 F3B 141.2(7) . . ?
F6 P5 F5B 122.3(7) . . ?
F3B P5 F5B 94.6(6) . . ?
F6 P5 F3 92.9(6) . . ?
F3B P5 F3 124.5(7) . . ?
F5B P5 F3 29.9(6) . . ?
F6 P5 F1 102.0(5) . . ?
F3B P5 F1 88.2(7) . . ?
F5B P5 F1 90.0(7) . . ?
F3 P5 F1 91.6(6) . . ?
F6 P5 F4 93.0(6) . . ?
F3B P5 F4 48.2(6) . . ?
F5B P5 F4 140.4(7) . . ?
F3 P5 F4 165.4(8) . . ?
F1 P5 F4 100.2(6) . . ?
F6 P5 F6B 54.5(6) . . ?
F3B P5 F6B 90.9(6) . . ?
F5B P5 F6B 170.3(8) . . ?
F3 P5 F6B 143.9(7) . . ?
F1 P5 F6B 82.2(6) . . ?
F4 P5 F6B 47.7(6) . . ?
F6 P5 F2 81.3(5) . . ?
F3B P5 F2 90.5(7) . . ?
F5B P5 F2 86.4(7) . . ?
F3 P5 F2 86.1(6) . . ?
F1 P5 F2 176.1(4) . . ?
F4 P5 F2 81.6(6) . . ?
F6B P5 F2 101.6(6) . . ?
F6 P5 F5 169.4(7) . . ?
F3B P5 F5 39.2(6) . . ?
F5B P5 F5 55.5(6) . . ?
F3 P5 F5 85.4(6) . . ?
F1 P5 F5 88.5(5) . . ?
F4 P5 F5 86.4(5) . . ?
F6B P5 F5 129.6(7) . . ?
F2 P5 F5 88.2(5) . . ?
F6 P5 F4B 40.0(6) . . ?
F3B P5 F4B 169.4(8) . . ?
F5B P5 F4B 88.5(6) . . ?
F3 P5 F4B 59.3(6) . . ?
F1 P5 F4B 81.7(6) . . ?
F4 P5 F4B 130.6(7) . . ?
F6B P5 F4B 84.6(6) . . ?
F2 P5 F4B 99.8(6) . . ?
F5 P5 F4B 142.8(6) . . ?
Cl1C C1S Cl1A 119.1(7) . . ?
Cl1C C1S Cl1B 117.9(6) . . ?
Cl1A C1S Cl1B 115.6(7) . . ?
Cl2B C2S Cl2A 110.7(5) . . ?
Cl2B C2S Cl2C 109.8(4) . . ?
Cl2A C2S Cl2C 110.2(4) . . ?
F12A P6A F8A 89.6(9) . . ?
F12A P6A F9A 88.8(7) . . ?
F8A P6A F9A 86.8(7) . . ?
F12A P6A F11A 177.7(8) . . ?
F8A P6A F11A 92.0(8) . . ?
F9A P6A F11A 89.6(7) . . ?
F12A P6A F7A 91.2(10) . . ?
F8A P6A F7A 89.8(8) . . ?
F9A P6A F7A 176.6(8) . . ?
F11A P6A F7A 90.5(9) . . ?
F12A P6A F10A 90.7(8) . . ?
F8A P6A F10A 177.9(8) . . ?
F9A P6A F10A 91.2(6) . . ?
F11A P6A F10A 87.6(7) . . ?
F7A P6A F10A 92.2(8) . . ?
O9B S6B O8B 108.5(10) . . ?
O9B S6B O7B 113.4(13) . . ?
O8B S6B O7B 112.2(11) . . ?
O9B S6B C5S 110.7(10) . . ?
O8B S6B C5S 109.3(10) . . ?
O7B S6B C5S 102.5(11) . . ?
F3S C5S F2S 107.9(15) . . ?
F3S C5S F1S 113.8(16) . . ?
F2S C5S F1S 116.1(16) . . ?
F3S C5S S6B 109.2(15) . . ?
F2S C5S S6B 102.6(14) . . ?
F1S C5S S6B 106.5(14) . . ?
Cl3C C3S Cl3B 110.5(7) . . ?
Cl3C C3S Cl3A 110.4(7) . . ?
Cl3B C3S Cl3A 108.1(7) . . ?
Cl4A C4S Cl4C 108.9(18) . . ?
Cl4A C4S Cl4B 108.6(18) . . ?
Cl4C C4S Cl4B 104.3(17) . . ?
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 N1 2.077(4) . ?
Pt1 O3 2.078(3) . ?
Pt1 P2 2.2492(13) . ?
Pt1 P1 2.2740(13) . ?
Pt2 O1 2.058(4) . ?
Pt2 N2 2.103(4) . ?
Pt2 P3 2.2418(13) . ?
Pt2 P4 2.2779(14) . ?
P1 C1A 1.820(6) . ?
P1 C1B 1.822(5) . ?
P1 C1C 1.826(5) . ?
P2 C1D 1.808(5) . ?
P2 C1E 1.811(5) . ?
P2 C1F 1.833(6) . ?
P3 C1H 1.809(6) . ?
P3 C1I 1.817(5) . ?
P3 C1G 1.827(5) . ?
P4 C1L 1.712(4) . ?
P4 C11L 1.756(4) . ?
P4 C11J 1.808(4) . ?
P4 C1K 1.838(3) . ?
P4 C1J 1.887(4) . ?
P4 C11K 1.923(4) . ?
N1 C1 1.337(7) . ?
N1 C5 1.346(6) . ?
N2 C8 1.332(6) . ?
N2 C12 1.351(6) . ?
O1 C7 1.297(8) . ?
O2 C7 1.212(8) . ?
O3 C14 1.302(6) . ?
O4 C14 1.203(7) . ?
C1 C2 1.370(8) . ?
C2 C3 1.393(8) . ?
C3 C4 1.380(8) . ?
C3 C6 1.505(8) . ?
C4 C5 1.378(7) . ?
C6 C7 1.538(8) . ?
C8 C9 1.369(7) . ?
C9 C10 1.384(7) . ?
C10 C11 1.390(7) . ?
C10 C13 1.513(7) . ?
C11 C12 1.364(7) . ?
C13 C14 1.536(7) . ?
C1A C6A 1.381(8) . ?
C1A C2A 1.409(8) . ?
C2A C3A 1.379(9) . ?
C3A C4A 1.363(10) . ?
C4A C5A 1.384(9) . ?
C5A C6A 1.375(9) . ?
C1B C6B 1.378(8) . ?
C1B C2B 1.385(8) . ?
C2B C3B 1.379(9) . ?
C3B C4B 1.381(10) . ?
C4B C5B 1.361(11) . ?
C5B C6B 1.395(9) . ?
C1C C2C 1.387(9) . ?
C1C C6C 1.397(9) . ?
C2C C3C 1.384(9) . ?
C3C C4C 1.361(13) . ?
C4C C5C 1.374(13) . ?
C5C C6C 1.374(10) . ?
C1D C6D 1.382(8) . ?
C1D C2D 1.406(8) . ?
C2D C3D 1.385(10) . ?
C3D C4D 1.359(12) . ?
C4D C5D 1.382(11) . ?
C5D C6D 1.382(9) . ?
C1E C2E 1.382(7) . ?
C1E C6E 1.407(8) . ?
C2E C3E 1.387(8) . ?
C3E C4E 1.368(9) . ?
C4E C5E 1.383(9) . ?
C5E C6E 1.368(8) . ?
C1F C2F 1.374(8) . ?
C1F C6F 1.384(8) . ?
C2F C3F 1.390(8) . ?
C3F C4F 1.368(11) . ?
C4F C5F 1.361(11) . ?
C5F C6F 1.395(9) . ?
C1G C2G 1.386(8) . ?
C1G C6G 1.392(8) . ?
C2G C3G 1.383(9) . ?
C3G C4G 1.358(10) . ?
C4G C5G 1.379(9) . ?
C5G C6G 1.389(8) . ?
C1H C6H 1.389(8) . ?
C1H C2H 1.407(8) . ?
C2H C3H 1.391(9) . ?
C3H C4H 1.373(10) . ?
C4H C5H 1.380(10) . ?
C5H C6H 1.386(9) . ?
C1I C2I 1.385(8) . ?
C1I C6I 1.396(8) . ?
C2I C3I 1.391(8) . ?
C3I C4I 1.384(10) . ?
C4I C5I 1.388(11) . ?
C5I C6I 1.376(9) . ?
C1J C2J 1.3900 . ?
C1J C6J 1.3900 . ?
C2J C3J 1.3900 . ?
C3J C4J 1.3900 . ?
C4J C5J 1.3900 . ?
C5J C6J 1.3900 . ?
C1K C2K 1.3900 . ?
C1K C6K 1.3900 . ?
C2K C3K 1.3900 . ?
C3K C4K 1.3900 . ?
C4K C5K 1.3900 . ?
C5K C6K 1.3900 . ?
C1L C2L 1.3900 . ?
C1L C6L 1.3900 . ?
C2L C3L 1.3900 . ?
C3L C4L 1.3901 . ?
C4L C5L 1.3899 . ?
C5L C6L 1.3900 . ?
C11J C12J 1.3900 . ?
C11J C16J 1.3900 . ?
C12J C13J 1.3900 . ?
C13J C14J 1.3900 . ?
C14J C15J 1.3900 . ?
C15J C16J 1.3900 . ?
C11K C16K 1.3899 . ?
C11K C12K 1.3901 . ?
C12K C13K 1.3899 . ?
C13K C14K 1.3899 . ?
C14K C15K 1.3900 . ?
C15K C16K 1.3899 . ?
C11L C12L 1.3899 . ?
C11L C16L 1.3901 . ?
C12L C13L 1.3900 . ?
C13L C14L 1.3901 . ?
C14L C15L 1.3899 . ?
C15L C16L 1.3900 . ?
F1 P5 1.561(5) . ?
F2 P5 1.592(5) . ?
P5 F6 1.481(7) . ?
P5 F3B 1.507(8) . ?
P5 F5B 1.525(8) . ?
P5 F3 1.550(8) . ?
P5 F4 1.566(7) . ?
P5 F6B 1.590(8) . ?
P5 F5 1.606(7) . ?
P5 F4B 1.616(7) . ?
C1S Cl1C 1.642(10) . ?
C1S Cl1A 1.689(11) . ?
C1S Cl1B 1.714(11) . ?
C2S Cl2B 1.745(7) . ?
C2S Cl2A 1.754(9) . ?
C2S Cl2C 1.770(8) . ?
P6A F12A 1.565(11) . ?
P6A F8A 1.567(11) . ?
P6A F9A 1.574(9) . ?
P6A F11A 1.575(10) . ?
P6A F7A 1.580(11) . ?
P6A F10A 1.583(10) . ?
S6B O9B 1.405(15) . ?
S6B O8B 1.426(12) . ?
S6B O7B 1.43(2) . ?
S6B C5S 1.663(17) . ?
F3S C5S 1.202(16) . ?
F2S C5S 1.258(17) . ?
F1S C5S 1.295(17) . ?
C3S Cl3C 1.743(12) . ?
C3S Cl3B 1.750(12) . ?
C3S Cl3A 1.755(12) . ?
C4S Cl4A 1.73(2) . ?
C4S Cl4C 1.73(2) . ?
C4S Cl4B 1.76(2) . ?
