#------------------------------------------------------------------------------
#$Date: 2018-03-15 18:33:54 +0200 (Thu, 15 Mar 2018) $
#$Revision: 206958 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/63/7006311.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_7006311
loop_
_publ_author_name
'Olsson, Daniel'
'Arunachalampillai, Athimoolam'
'Wendt, Ola F.'
_publ_section_title
;
 Synthesis and characterisation of PC(sp3)P phosphine and phosphinite
 platinum(II) complexes. Cyclometallation and simple coordination.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5427
_journal_page_last               5433
_journal_paper_doi               10.1039/b712660c
_journal_year                    2007
_chemical_formula_sum            'C45 H96 Cl4 O5 P4 Pt2'
_chemical_formula_weight         1373.08
_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                 96.065(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.8263(11)
_cell_length_b                   8.7302(2)
_cell_length_c                   44.3883(10)
_cell_measurement_reflns_used    5831
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      32.7188
_cell_measurement_theta_min      2.1308
_cell_volume                     11108.2(6)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1829
_diffrn_measured_fraction_theta_full 0.941
_diffrn_measured_fraction_theta_max 0.844
_diffrn_measurement_device_type  'Oxford Diffraction XCalibur 3'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_av_sigmaI/netI    0.3097
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       64
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_number            40857
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         32.77
_diffrn_reflns_theta_min         2.21
_exptl_absorpt_coefficient_mu    5.379
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.61567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.5 (release 28-08-2006 CrysAlis171 .NET)
(compiled Aug 28 2006,13:05:05)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.642
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needles
_exptl_crystal_F_000             5520
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.423
_refine_diff_density_min         -1.636
_refine_diff_density_rms         0.166
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.735
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         17354
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.735
_refine_ls_R_factor_all          0.2152
_refine_ls_R_factor_gt           0.0586
_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)+(0.0794P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1423
_refine_ls_wR_factor_ref         0.1724
_reflns_number_gt                4742
_reflns_number_total             17354
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b712660c.txt
_cod_data_source_block           complex6
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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 

2018-03-15
Z value and formula fixed to values more according to usual
chemical conventions.                 miguel
;
_cod_original_formula_sum            'C90 H192 Cl8 O10 P8 Pt4'
_cod_original_formula_weight         2746.16
_cod_original_formula_units_Z            4
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7006311
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
C31 C 0.6165(6) 0.0835(18) 0.3390(7) 0.266(18) Uani 1 1 d . . .
H31A H 0.5876 0.1134 0.3278 0.399 Uiso 1 1 calc R . .
H31B H 0.6150 0.1032 0.3601 0.399 Uiso 1 1 calc R . .
H31C H 0.6217 -0.0238 0.3360 0.399 Uiso 1 1 calc R . .
C16 C 0.6973(13) 0.485(2) 0.4898(4) 0.30(2) Uani 1 1 d . . .
H16A H 0.6909 0.5931 0.4882 0.446 Uiso 1 1 calc R . .
H16B H 0.7296 0.4699 0.4968 0.446 Uiso 1 1 calc R . .
H16C H 0.6783 0.4404 0.5040 0.446 Uiso 1 1 calc R . .
Pt1 Pt 0.903156(18) 0.48465(4) 0.369174(9) 0.06473(17) Uani 1 1 d . . .
Pt2 Pt 0.662897(16) 0.47156(4) 0.380975(9) 0.05600(15) Uani 1 1 d . . .
P2 P 0.67306(9) 0.5646(3) 0.43022(6) 0.0434(6) Uani 1 1 d . . .
P4 P 0.89113(9) 0.3909(2) 0.31989(5) 0.0406(6) Uani 1 1 d . . .
P1 P 0.91803(9) 0.5706(3) 0.41892(6) 0.0462(7) Uani 1 1 d . . .
P3 P 0.64665(9) 0.3783(2) 0.33179(5) 0.0396(6) Uani 1 1 d . . .
Cl2 Cl 0.88061(16) 0.7259(4) 0.35291(9) 0.1216(15) Uani 1 1 d . . .
O5 O 0.74954(19) 0.4103(5) 0.38240(11) 0.0350(14) Uani 1 1 d . . .
H5 H 0.7423 0.4827 0.3927 0.052 Uiso 1 1 calc R . .
O1 O 0.8820(2) 0.6862(7) 0.43141(14) 0.0573(19) Uani 1 1 d . . .
O4 O 0.8453(2) 0.4496(7) 0.29864(13) 0.0536(17) Uani 1 1 d . . .
Cl1 Cl 0.9536(2) 0.2717(5) 0.38070(10) 0.158(2) Uani 1 1 d . . .
O2 O 0.7149(2) 0.6812(8) 0.43920(14) 0.0608(19) Uani 1 1 d . . .
O3 O 0.6793(2) 0.4361(8) 0.30647(14) 0.0585(19) Uani 1 1 d . . .
C23 C 0.7622(3) 0.4396(10) 0.3031(2) 0.045(2) Uani 1 1 d . . .
H23A H 0.7569 0.4051 0.2822 0.054 Uiso 1 1 calc R . .
H23B H 0.7664 0.3499 0.3160 0.054 Uiso 1 1 calc R . .
C45 C 0.8131(3) 0.4184(8) 0.37841(15) 0.0280(19) Uani 1 1 d . . .
H45A H 0.8285 0.4786 0.3946 0.042 Uiso 1 1 calc R . .
H45B H 0.8178 0.4643 0.3593 0.042 Uiso 1 1 calc R . .
H45C H 0.8257 0.3166 0.3793 0.042 Uiso 1 1 calc R . .
Cl4 Cl 0.6714(2) 0.7202(5) 0.36294(13) 0.174(2) Uani 1 1 d . . .
Cl3 Cl 0.6269(3) 0.2549(8) 0.39672(19) 0.251(4) Uani 1 1 d . . .
C24 C 0.7204(3) 0.5278(10) 0.3109(2) 0.042(2) Uani 1 1 d . . .
C41 C 0.9365(3) 0.4540(12) 0.2960(2) 0.055(3) Uani 1 1 d . . .
C33 C 0.5891(4) 0.4444(12) 0.3132(3) 0.062(3) Uani 1 1 d . . .
C7 C 0.9177(4) 0.4112(11) 0.4475(2) 0.055(3) Uani 1 1 d . . .
C10 C 0.8754(5) 0.3118(14) 0.4386(3) 0.102(5) Uani 1 1 d . . .
H10A H 0.8804 0.2528 0.4210 0.153 Uiso 1 1 calc R . .
H10B H 0.8484 0.3757 0.4342 0.153 Uiso 1 1 calc R . .
H10C H 0.8705 0.2440 0.4550 0.153 Uiso 1 1 calc R . .
C28 C 0.8056(3) 0.5365(10) 0.3071(2) 0.043(2) Uani 1 1 d . . .
C25 C 0.7142(4) 0.6709(12) 0.2908(2) 0.064(3) Uani 1 1 d . . .
H25A H 0.7068 0.6404 0.2699 0.077 Uiso 1 1 calc R . .
H25B H 0.6885 0.7316 0.2967 0.077 Uiso 1 1 calc R . .
C5 C 0.7496(4) 0.9086(10) 0.4211(2) 0.063(3) Uani 1 1 d . . .
H5A H 0.7198 0.9431 0.4111 0.075 Uiso 1 1 calc R . .
H5B H 0.7529 0.9487 0.4415 0.075 Uiso 1 1 calc R . .
C27 C 0.8002(4) 0.6755(11) 0.2869(2) 0.064(3) Uani 1 1 d . . .
H27A H 0.7966 0.6438 0.2659 0.077 Uiso 1 1 calc R . .
H27B H 0.8278 0.7392 0.2903 0.077 Uiso 1 1 calc R . .
C36 C 0.5877(5) 0.6167(13) 0.3139(3) 0.105(5) Uani 1 1 d . . .
H36A H 0.6166 0.6570 0.3084 0.158 Uiso 1 1 calc R . .
H36B H 0.5830 0.6505 0.3340 0.158 Uiso 1 1 calc R . .
H36C H 0.5624 0.6526 0.2998 0.158 Uiso 1 1 calc R . .
C6 C 0.7503(4) 0.7354(10) 0.4221(2) 0.045(3) Uani 1 1 d . . .
C1 C 0.7984(3) 0.6777(9) 0.4352(2) 0.044(2) Uani 1 1 d . . .
H1A H 0.8045 0.7106 0.4561 0.053 Uiso 1 1 calc R . .
H1B H 0.7987 0.5666 0.4349 0.053 Uiso 1 1 calc R . .
C15 C 0.6865(5) 0.4115(14) 0.4595(2) 0.083(4) Uani 1 1 d . . .
C3 C 0.8361(4) 0.9080(11) 0.4172(2) 0.062(3) Uani 1 1 d . . .
H3A H 0.8599 0.9438 0.4049 0.074 Uiso 1 1 calc R . .
H3B H 0.8437 0.9463 0.4376 0.074 Uiso 1 1 calc R . .
C4 C 0.7884(4) 0.9693(11) 0.4042(3) 0.066(3) Uani 1 1 d . . .
H4A H 0.7887 1.0803 0.4053 0.079 Uiso 1 1 calc R . .
H4B H 0.7827 0.9405 0.3830 0.079 Uiso 1 1 calc R . .
C11 C 0.9708(4) 0.6916(15) 0.4246(3) 0.081(4) Uani 1 1 d . . .
C17 C 0.7270(5) 0.3214(14) 0.4506(3) 0.114(6) Uani 1 1 d . . .
H17A H 0.7271 0.2218 0.4598 0.172 Uiso 1 1 calc R . .
H17B H 0.7555 0.3736 0.4574 0.172 Uiso 1 1 calc R . .
H17C H 0.7243 0.3107 0.4290 0.172 Uiso 1 1 calc R . .
C44 C 0.9856(4) 0.4071(14) 0.3110(3) 0.085(4) Uani 1 1 d . . .
H44A H 1.0083 0.4247 0.2970 0.127 Uiso 1 1 calc R . .
H44B H 0.9855 0.3004 0.3162 0.127 Uiso 1 1 calc R . .
H44C H 0.9934 0.4671 0.3289 0.127 Uiso 1 1 calc R . .
C22 C 0.5771(5) 0.594(2) 0.4364(4) 0.165(8) Uani 1 1 d . . .
H22A H 0.5510 0.6618 0.4377 0.248 Uiso 1 1 calc R . .
H22B H 0.5791 0.5234 0.4530 0.248 Uiso 1 1 calc R . .
H22C H 0.5729 0.5391 0.4176 0.248 Uiso 1 1 calc R . .
C37 C 0.8825(4) 0.1763(10) 0.3188(2) 0.058(3) Uani 1 1 d . . .
C13 C 1.0144(5) 0.5971(18) 0.4170(4) 0.128(6) Uani 1 1 d . . .
H13A H 1.0065 0.5398 0.3987 0.191 Uiso 1 1 calc R . .
H13B H 1.0237 0.5280 0.4333 0.191 Uiso 1 1 calc R . .
H13C H 1.0396 0.6658 0.4143 0.191 Uiso 1 1 calc R . .
C19 C 0.6223(5) 0.689(2) 0.4378(4) 0.106(5) Uani 1 1 d . . .
C2 C 0.8357(3) 0.7368(9) 0.4176(2) 0.040(2) Uani 1 1 d . . .
H2 H 0.8306 0.6985 0.3967 0.048 Uiso 1 1 calc R . .
C9 C 0.9115(10) 0.4753(17) 0.4785(3) 0.203(12) Uani 1 1 d . . .
H9A H 0.8997 0.3967 0.4908 0.305 Uiso 1 1 calc R . .
H9B H 0.8898 0.5591 0.4764 0.305 Uiso 1 1 calc R . .
H9C H 0.9410 0.5110 0.4880 0.305 Uiso 1 1 calc R . .
C38 C 0.8500(4) 0.1366(12) 0.3413(3) 0.097(5) Uani 1 1 d . . .
H38A H 0.8448 0.0280 0.3411 0.145 Uiso 1 1 calc R . .
H38B H 0.8209 0.1887 0.3363 0.145 Uiso 1 1 calc R . .
H38C H 0.8632 0.1674 0.3611 0.145 Uiso 1 1 calc R . .
C26 C 0.7579(4) 0.7659(12) 0.2937(3) 0.075(4) Uani 1 1 d . . .
H26A H 0.7631 0.8062 0.3142 0.090 Uiso 1 1 calc R . .
H26B H 0.7537 0.8520 0.2799 0.090 Uiso 1 1 calc R . .
C42 C 0.9361(5) 0.6286(13) 0.2954(4) 0.120(6) Uani 1 1 d . . .
H42A H 0.9568 0.6644 0.2814 0.181 Uiso 1 1 calc R . .
H42B H 0.9462 0.6671 0.3153 0.181 Uiso 1 1 calc R . .
H42C H 0.9050 0.6641 0.2892 0.181 Uiso 1 1 calc R . .
C34 C 0.5498(4) 0.3869(15) 0.3311(4) 0.113(5) Uani 1 1 d . . .
H34A H 0.5542 0.2798 0.3355 0.169 Uiso 1 1 calc R . .
H34B H 0.5203 0.4018 0.3193 0.169 Uiso 1 1 calc R . .
H34C H 0.5504 0.4430 0.3497 0.169 Uiso 1 1 calc R . .
C29 C 0.6525(4) 0.1660(11) 0.3290(2) 0.068(3) Uani 1 1 d . . .
C18 C 0.6497(7) 0.2999(18) 0.4626(5) 0.175(9) Uani 1 1 d . . .
H18A H 0.6507 0.2217 0.4474 0.263 Uiso 1 1 calc R . .
H18B H 0.6199 0.3501 0.4599 0.263 Uiso 1 1 calc R . .
H18C H 0.6542 0.2542 0.4823 0.263 Uiso 1 1 calc R . .
C40 C 0.9232(6) 0.0869(16) 0.3210(6) 0.231(14) Uani 1 1 d . . .
H40A H 0.9427 0.1140 0.3391 0.347 Uiso 1 1 calc R . .
H40B H 0.9397 0.1052 0.3037 0.347 Uiso 1 1 calc R . .
H40C H 0.9150 -0.0195 0.3218 0.347 Uiso 1 1 calc R . .
C8 C 0.9603(6) 0.3142(18) 0.4491(5) 0.191(10) Uani 1 1 d . . .
H8A H 0.9664 0.2720 0.4691 0.286 Uiso 1 1 calc R . .
H8B H 0.9864 0.3755 0.4447 0.286 Uiso 1 1 calc R . .
H8C H 0.9556 0.2326 0.4346 0.286 Uiso 1 1 calc R . .
C39 C 0.8525(9) 0.1423(18) 0.2868(3) 0.218(13) Uani 1 1 d . . .
H39A H 0.8732 0.1286 0.2714 0.327 Uiso 1 1 calc R . .
H39B H 0.8320 0.2270 0.2814 0.327 Uiso 1 1 calc R . .
H39C H 0.8344 0.0509 0.2883 0.327 Uiso 1 1 calc R . .
C43 C 0.9292(5) 0.3943(18) 0.2637(3) 0.113(5) Uani 1 1 d . . .
H43A H 0.8972 0.4087 0.2558 0.170 Uiso 1 1 calc R . .
H43B H 0.9367 0.2872 0.2635 0.170 Uiso 1 1 calc R . .
H43C H 0.9490 0.4493 0.2514 0.170 Uiso 1 1 calc R . .
C20 C 0.6171(6) 0.8078(14) 0.4143(5) 0.172(10) Uani 1 1 d . . .
H20A H 0.6021 0.7651 0.3958 0.258 Uiso 1 1 calc R . .
H20B H 0.6474 0.8460 0.4109 0.258 Uiso 1 1 calc R . .
H20C H 0.5985 0.8903 0.4208 0.258 Uiso 1 1 calc R . .
C12 C 0.9797(6) 0.7506(19) 0.4589(3) 0.154(8) Uani 1 1 d . . .
H12A H 1.0022 0.8320 0.4601 0.230 Uiso 1 1 calc R . .
H12B H 0.9913 0.6677 0.4717 0.230 Uiso 1 1 calc R . .
H12C H 0.9510 0.7876 0.4653 0.230 Uiso 1 1 calc R . .
C30 C 0.6995(4) 0.1262(13) 0.3439(3) 0.104(5) Uani 1 1 d . . .
H30A H 0.7051 0.1803 0.3627 0.156 Uiso 1 1 calc R . .
H30B H 0.7227 0.1547 0.3308 0.156 Uiso 1 1 calc R . .
H30C H 0.7012 0.0179 0.3476 0.156 Uiso 1 1 calc R . .
C14 C 0.9646(5) 0.8205(14) 0.4014(4) 0.133(7) Uani 1 1 d . . .
H14A H 0.9942 0.8675 0.3995 0.199 Uiso 1 1 calc R . .
H14B H 0.9435 0.8956 0.4079 0.199 Uiso 1 1 calc R . .
H14C H 0.9521 0.7795 0.3821 0.199 Uiso 1 1 calc R . .
C21 C 0.6316(7) 0.761(3) 0.4702(5) 0.240(14) Uani 1 1 d . . .
H21A H 0.6614 0.8111 0.4722 0.360 Uiso 1 1 calc R . .
H21B H 0.6313 0.6822 0.4852 0.360 Uiso 1 1 calc R . .
H21C H 0.6077 0.8349 0.4730 0.360 Uiso 1 1 calc R . .
C35 C 0.5808(5) 0.390(2) 0.2799(3) 0.136(7) Uani 1 1 d . . .
H35A H 0.5492 0.4122 0.2720 0.204 Uiso 1 1 calc R . .
H35B H 0.5861 0.2817 0.2789 0.204 Uiso 1 1 calc R . .
H35C H 0.6018 0.4425 0.2680 0.204 Uiso 1 1 calc R . .
H28 H 0.809(2) 0.561(7) 0.3274(16) 0.019(19) Uiso 1 1 d . . .
H6 H 0.752(2) 0.693(7) 0.4003(15) 0.015(17) Uiso 1 1 d . . .
H24 H 0.724(3) 0.556(8) 0.3353(17) 0.03(2) Uiso 1 1 d . . .
C32 C 0.6534(11) 0.1218(18) 0.2956(4) 0.30(2) Uani 1 1 d . . .
H32A H 0.6790 0.1727 0.2876 0.449 Uiso 1 1 calc R . .
H32B H 0.6247 0.1523 0.2843 0.449 Uiso 1 1 calc R . .
H32C H 0.6572 0.0130 0.2940 0.449 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'
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
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
Cl2 Pt1 P4 91.03(11) . . ?
Cl2 Pt1 P1 91.16(12) . . ?
P4 Pt1 P1 177.36(9) . . ?
Cl2 Pt1 Cl1 158.25(19) . . ?
P4 Pt1 Cl1 87.37(13) . . ?
P1 Pt1 Cl1 90.05(13) . . ?
Cl3 Pt2 P2 91.0(2) . . ?
Cl3 Pt2 P3 86.8(2) . . ?
P2 Pt2 P3 175.68(9) . . ?
Cl3 Pt2 Cl4 159.3(3) . . ?
P2 Pt2 Cl4 89.44(15) . . ?
P3 Pt2 Cl4 91.23(15) . . ?
O2 P2 C15 100.7(5) . . ?
O2 P2 C19 99.7(6) . . ?
C15 P2 C19 113.2(8) . . ?
O2 P2 Pt2 118.4(3) . . ?
C15 P2 Pt2 113.6(4) . . ?
C19 P2 Pt2 110.3(5) . . ?
O4 P4 C41 98.9(4) . . ?
O4 P4 C37 101.6(4) . . ?
C41 P4 C37 112.3(5) . . ?
O4 P4 Pt1 117.8(2) . . ?
C41 P4 Pt1 112.9(3) . . ?
C37 P4 Pt1 112.3(3) . . ?
O1 P1 C11 98.5(5) . . ?
O1 P1 C7 100.6(4) . . ?
C11 P1 C7 113.1(6) . . ?
O1 P1 Pt1 118.3(2) . . ?
C11 P1 Pt1 112.4(4) . . ?
C7 P1 Pt1 112.8(3) . . ?
O3 P3 C33 98.7(4) . . ?
O3 P3 C29 101.6(5) . . ?
C33 P3 C29 111.1(5) . . ?
O3 P3 Pt2 117.8(2) . . ?
C33 P3 Pt2 112.8(4) . . ?
C29 P3 Pt2 113.5(3) . . ?
C45 O5 H5 109.5 . . ?
C2 O1 P1 129.8(5) . . ?
C28 O4 P4 128.9(5) . . ?
C6 O2 P2 130.3(6) . . ?
C24 O3 P3 127.9(6) . . ?
C24 C23 C28 111.2(7) . . ?
C24 C23 H23A 109.4 . . ?
C28 C23 H23A 109.4 . . ?
C24 C23 H23B 109.4 . . ?
C28 C23 H23B 109.4 . . ?
H23A C23 H23B 108.0 . . ?
O5 C45 H45A 109.5 . . ?
O5 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
O5 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
O3 C24 C23 110.8(7) . . ?
O3 C24 C25 109.5(7) . . ?
C23 C24 C25 109.3(8) . . ?
O3 C24 H24 104(4) . . ?
C23 C24 H24 111(4) . . ?
C25 C24 H24 112(4) . . ?
C43 C41 C42 109.0(11) . . ?
C43 C41 C44 110.0(10) . . ?
C42 C41 C44 106.1(9) . . ?
C43 C41 P4 113.7(8) . . ?
C42 C41 P4 107.7(8) . . ?
C44 C41 P4 110.1(7) . . ?
C36 C33 C34 107.0(10) . . ?
C36 C33 C35 108.9(11) . . ?
C34 C33 C35 110.3(11) . . ?
C36 C33 P3 109.0(8) . . ?
C34 C33 P3 109.9(8) . . ?
C35 C33 P3 111.7(8) . . ?
C8 C7 C9 110.1(14) . . ?
C8 C7 C10 109.0(11) . . ?
C9 C7 C10 106.3(13) . . ?
C8 C7 P1 112.9(9) . . ?
C9 C7 P1 110.4(8) . . ?
C10 C7 P1 107.9(7) . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O4 C28 C23 110.0(8) . . ?
O4 C28 C27 107.5(8) . . ?
C23 C28 C27 110.3(8) . . ?
O4 C28 H28 111(4) . . ?
C23 C28 H28 105(5) . . ?
C27 C28 H28 113(4) . . ?
C26 C25 C24 110.8(8) . . ?
C26 C25 H25A 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 108.1 . . ?
C4 C5 C6 111.0(9) . . ?
C4 C5 H5A 109.4 . . ?
C6 C5 H5A 109.4 . . ?
C4 C5 H5B 109.4 . . ?
C6 C5 H5B 109.4 . . ?
H5A C5 H5B 108.0 . . ?
C28 C27 C26 109.7(8) . . ?
C28 C27 H27A 109.7 . . ?
C26 C27 H27A 109.7 . . ?
C28 C27 H27B 109.7 . . ?
C26 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O2 C6 C5 110.0(8) . . ?
O2 C6 C1 111.2(8) . . ?
C5 C6 C1 110.4(8) . . ?
O2 C6 H6 119(4) . . ?
C5 C6 H6 109(3) . . ?
C1 C6 H6 96(4) . . ?
C2 C1 C6 111.2(7) . . ?
C2 C1 H1A 109.4 . . ?
C6 C1 H1A 109.4 . . ?
C2 C1 H1B 109.4 . . ?
C6 C1 H1B 109.4 . . ?
H1A C1 H1B 108.0 . . ?
C18 C15 C17 105.6(12) . . ?
C18 C15 C16 106.8(17) . . ?
C17 C15 C16 111.8(17) . . ?
C18 C15 P2 116.2(12) . . ?
C17 C15 P2 107.6(9) . . ?
C16 C15 P2 109.0(9) . . ?
C2 C3 C4 110.3(8) . . ?
C2 C3 H3A 109.6 . . ?
C4 C3 H3A 109.6 . . ?
C2 C3 H3B 109.6 . . ?
C4 C3 H3B 109.6 . . ?
H3A C3 H3B 108.1 . . ?
C5 C4 C3 112.1(9) . . ?
C5 C4 H4A 109.2 . . ?
C3 C4 H4A 109.2 . . ?
C5 C4 H4B 109.2 . . ?
C3 C4 H4B 109.2 . . ?
H4A C4 H4B 107.9 . . ?
C14 C11 C13 106.3(11) . . ?
C14 C11 C12 113.6(12) . . ?
C13 C11 C12 108.8(12) . . ?
C14 C11 P1 107.0(9) . . ?
C13 C11 P1 109.6(9) . . ?
C12 C11 P1 111.2(8) . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C40 C37 C38 114.0(12) . . ?
C40 C37 C39 109.0(15) . . ?
C38 C37 C39 103.5(12) . . ?
C40 C37 P4 116.3(10) . . ?
C38 C37 P4 107.8(7) . . ?
C39 C37 P4 105.2(8) . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C20 C19 C22 109.2(14) . . ?
C20 C19 C21 111.1(16) . . ?
C22 C19 C21 108.4(15) . . ?
C20 C19 P2 107.6(11) . . ?
C22 C19 P2 110.9(11) . . ?
C21 C19 P2 109.6(10) . . ?
O1 C2 C1 110.4(7) . . ?
O1 C2 C3 107.2(7) . . ?
C1 C2 C3 111.1(8) . . ?
O1 C2 H2 109.3 . . ?
C1 C2 H2 109.3 . . ?
C3 C2 H2 109.3 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C25 C26 C27 112.4(9) . . ?
C25 C26 H26A 109.1 . . ?
C27 C26 H26A 109.1 . . ?
C25 C26 H26B 109.1 . . ?
C27 C26 H26B 109.1 . . ?
H26A C26 H26B 107.8 . . ?
C41 C42 H42A 109.5 . . ?
C41 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C41 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C31 C29 C30 114.9(12) . . ?
C31 C29 C32 105.7(17) . . ?
C30 C29 C32 105.1(14) . . ?
C31 C29 P3 115.1(12) . . ?
C30 C29 P3 106.7(8) . . ?
C32 C29 P3 108.9(9) . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C41 C43 H43A 109.5 . . ?
C41 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C41 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
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
C31 C29 1.37(2) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C16 C15 1.495(19) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
Pt1 Cl2 2.298(4) . ?
Pt1 P4 2.327(2) . ?
Pt1 P1 2.329(2) . ?
Pt1 Cl1 2.382(4) . ?
Pt2 Cl3 2.301(7) . ?
Pt2 P2 2.321(2) . ?
Pt2 P3 2.331(2) . ?
Pt2 Cl4 2.335(5) . ?
P2 O2 1.595(7) . ?
P2 C15 1.876(12) . ?
P2 C19 1.881(13) . ?
P4 O4 1.623(6) . ?
P4 C41 1.852(10) . ?
P4 C37 1.890(9) . ?
P1 O1 1.589(7) . ?
P1 C11 1.847(12) . ?
P1 C7 1.885(9) . ?
P3 O3 1.621(7) . ?
P3 C33 1.864(11) . ?
P3 C29 1.866(10) . ?
O5 C45 1.860(10) . ?
O5 H5 0.8200 . ?
O1 C2 1.477(10) . ?
O4 C28 1.455(11) . ?
O2 C6 1.417(11) . ?
O3 C24 1.426(10) . ?
C23 C24 1.500(13) . ?
C23 C28 1.507(13) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C24 C25 1.535(12) . ?
C24 H24 1.11(7) . ?
C41 C43 1.521(14) . ?
C41 C42 1.524(15) . ?
C41 C44 1.553(14) . ?
C33 C36 1.506(15) . ?
C33 C34 1.536(16) . ?
C33 C35 1.548(16) . ?
C7 C8 1.487(17) . ?
C7 C9 1.512(17) . ?
C7 C10 1.515(15) . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C28 C27 1.508(12) . ?
C28 H28 0.92(7) . ?
C25 C26 1.500(14) . ?
C25 H25A 0.9700 . ?
C25 H25B 0.9700 . ?
C5 C4 1.507(14) . ?
C5 C6 1.513(12) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C27 C26 1.509(14) . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C6 C1 1.532(12) . ?
C6 H6 1.04(6) . ?
C1 C2 1.488(12) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C15 C18 1.458(19) . ?
C15 C17 1.493(18) . ?
C3 C2 1.494(12) . ?
C3 C4 1.530(14) . ?
C3 H3A 0.9700 . ?
C3 H3B 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C11 C14 1.525(17) . ?
C11 C13 1.569(18) . ?
C11 C12 1.600(16) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C22 C19 1.54(2) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C37 C40 1.404(17) . ?
C37 C38 1.481(14) . ?
C37 C39 1.613(18) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C19 C20 1.47(2) . ?
C19 C21 1.57(2) . ?
C2 H2 0.9800 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C26 H26A 0.9700 . ?
C26 H26B 0.9700 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C29 C30 1.485(15) . ?
C29 C32 1.536(19) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C43 H43A 0.9600 . ?
C43 H43B 0.9600 . ?
C43 H43C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
