#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:26:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179844 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/40/7014023.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_7014023
loop_
_publ_author_name
'Shima, Takanori'
'Bauer, Eike B.'
'Hampel, Frank'
'Gladysz, J. A.'
_publ_section_title
;
 Alkene metatheses in transition metal coordination spheres:
 dimacrocyclizations that join trans positions of square-planar
 platinum complexes to give topologically novel diphosphine ligands.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1012
_journal_page_last               1028
_journal_paper_doi               10.1039/b400156g
_journal_year                    2004
_chemical_formula_sum            'C38 H50 Cl F5 P2 Pt'
_chemical_formula_weight         894.26
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 112.273(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   23.5432(11)
_cell_length_b                   15.7182(6)
_cell_length_c                   21.5805(6)
_cell_measurement_reflns_used    23439
_cell_measurement_temperature    173(2)
_cell_volume                     7390.2(5)
_computing_cell_refinement       DENZO_SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO_SMN
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode''
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1382
_diffrn_reflns_av_sigmaI/netI    0.1369
_diffrn_reflns_limit_h_max       28
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            43886
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.60
_exptl_absorpt_coefficient_mu    4.008
_exptl_absorpt_correction_T_max  0.6900
_exptl_absorpt_correction_T_min  0.6900
_exptl_absorpt_correction_type   'empirical (Scalepack)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3584
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.894
_refine_diff_density_min         -1.307
_refine_diff_density_rms         0.224
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     847
_refine_ls_number_reflns         13024
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.930
_refine_ls_R_factor_all          0.1156
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0550P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0958
_refine_ls_wR_factor_ref         0.1319
_reflns_number_gt                6875
_reflns_number_total             13024
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b400156g.txt
_cod_data_source_block           ts01_2
_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 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7014023
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pt1 Pt 1.040395(18) 0.71528(3) 0.119008(18) 0.03242(12) Uani 1 1 d . . .
Pt2 Pt 0.537204(18) 1.21718(3) -0.085131(17) 0.02982(12) Uani 1 1 d . . .
P1 P 1.05146(14) 0.70418(18) 0.01704(13) 0.0373(7) Uani 1 1 d . . .
P2 P 1.03608(13) 0.71403(19) 0.22479(13) 0.0354(6) Uani 1 1 d . . .
P3 P 0.54923(12) 1.21238(18) 0.02626(12) 0.0310(6) Uani 1 1 d . . .
P4 P 0.52866(13) 1.20263(18) -0.19449(12) 0.0337(7) Uani 1 1 d . . .
Cl1 Cl 0.99136(14) 0.58003(17) 0.09507(13) 0.0454(7) Uani 1 1 d . . .
Cl2 Cl 0.48637(13) 1.08390(16) -0.09734(12) 0.0381(6) Uani 1 1 d . . .
C1 C 1.0548(5) 0.6096(7) 0.2649(5) 0.041(3) Uani 1 1 d . . .
H1A H 1.0594 0.6161 0.3122 0.049 Uiso 1 1 calc R . .
H1B H 1.0193 0.5716 0.2430 0.049 Uiso 1 1 calc R . .
C2 C 1.1122(5) 0.5648(6) 0.2641(5) 0.035(2) Uani 1 1 d . . .
H2A H 1.1165 0.5759 0.2210 0.042 Uiso 1 1 calc R . .
H2B H 1.1490 0.5878 0.3004 0.042 Uiso 1 1 calc R . .
C3 C 1.1082(5) 0.4696(7) 0.2736(6) 0.043(3) Uani 1 1 d . . .
H3A H 1.1037 0.4595 0.3168 0.052 Uiso 1 1 calc R . .
H3B H 1.0708 0.4477 0.2376 0.052 Uiso 1 1 calc R . .
C4 C 1.1621(6) 0.4203(7) 0.2730(6) 0.053(3) Uani 1 1 d . . .
H4A H 1.1587 0.3609 0.2866 0.064 Uiso 1 1 calc R . .
H4B H 1.2000 0.4450 0.3065 0.064 Uiso 1 1 calc R . .
C5 C 1.1677(7) 0.4195(8) 0.2034(7) 0.069(4) Uani 1 1 d . . .
H5A H 1.1739 0.3603 0.1917 0.083 Uiso 1 1 calc R . .
H5B H 1.1288 0.4404 0.1691 0.083 Uiso 1 1 calc R . .
C6 C 1.2172(6) 0.4710(8) 0.2019(7) 0.066(4) Uani 1 1 d . . .
H6A H 1.2558 0.4521 0.2378 0.079 Uiso 1 1 calc R . .
H6B H 1.2099 0.5308 0.2111 0.079 Uiso 1 1 calc R . .
C7 C 1.2248(6) 0.4662(8) 0.1330(6) 0.058(4) Uani 1 1 d . . .
H7A H 1.2604 0.5019 0.1360 0.069 Uiso 1 1 calc R . .
H7B H 1.2349 0.4068 0.1261 0.069 Uiso 1 1 calc R . .
C8 C 1.1720(6) 0.4929(7) 0.0734(6) 0.054(3) Uani 1 1 d . . .
H8A H 1.1374 0.4537 0.0673 0.065 Uiso 1 1 calc R . .
H8B H 1.1830 0.4872 0.0337 0.065 Uiso 1 1 calc R . .
C9 C 1.1501(6) 0.5852(7) 0.0763(6) 0.048(3) Uani 1 1 d . . .
H9A H 1.1421 0.5931 0.1178 0.057 Uiso 1 1 calc R . .
H9B H 1.1828 0.6255 0.0775 0.057 Uiso 1 1 calc R . .
C10 C 1.0921(6) 0.6045(7) 0.0161(6) 0.045(3) Uani 1 1 d . . .
H10A H 1.0631 0.5569 0.0106 0.054 Uiso 1 1 calc R . .
H10B H 1.1028 0.6052 -0.0241 0.054 Uiso 1 1 calc R . .
C11 C 1.0913(5) 0.7891(7) -0.0072(5) 0.038(3) Uani 1 1 d . . .
C12 C 1.0708(5) 0.8707(7) -0.0097(5) 0.039(3) Uani 1 1 d . . .
H12A H 1.0365 0.8818 0.0020 0.047 Uiso 1 1 calc R . .
C13 C 1.0990(5) 0.9389(7) -0.0291(5) 0.044(3) Uani 1 1 d . . .
H13A H 1.0836 0.9950 -0.0305 0.052 Uiso 1 1 calc R . .
C14 C 1.1483(6) 0.9247(9) -0.0456(6) 0.059(4) Uani 1 1 d . . .
H14A H 1.1671 0.9706 -0.0593 0.071 Uiso 1 1 calc R . .
C15 C 1.1709(6) 0.8430(9) -0.0426(6) 0.057(3) Uani 1 1 d . . .
H15A H 1.2059 0.8330 -0.0534 0.068 Uiso 1 1 calc R . .
C16 C 1.1429(5) 0.7750(7) -0.0239(5) 0.043(3) Uani 1 1 d . . .
H16A H 1.1586 0.7191 -0.0224 0.051 Uiso 1 1 calc R . .
C20 C 0.9823(6) 0.6889(7) -0.0580(5) 0.050(3) Uani 1 1 d . . .
H20A H 0.9949 0.6599 -0.0915 0.060 Uiso 1 1 calc R . .
H20B H 0.9556 0.6488 -0.0462 0.060 Uiso 1 1 calc R . .
C21 C 0.9439(6) 0.7628(8) -0.0919(5) 0.057(4) Uani 1 1 d . . .
H21A H 0.9137 0.7441 -0.1358 0.068 Uiso 1 1 calc R . .
H21B H 0.9705 0.8064 -0.1002 0.068 Uiso 1 1 calc R . .
C22 C 0.9100(6) 0.8027(8) -0.0529(6) 0.059(4) Uani 1 1 d . . .
H22A H 0.9405 0.8226 -0.0095 0.071 Uiso 1 1 calc R . .
H22B H 0.8880 0.8534 -0.0777 0.071 Uiso 1 1 calc R . .
C23 C 0.8649(6) 0.7466(7) -0.0393(6) 0.053(3) Uani 1 1 d . . .
H23A H 0.8875 0.7040 -0.0050 0.064 Uiso 1 1 calc R . .
H23B H 0.8405 0.7156 -0.0808 0.064 Uiso 1 1 calc R . .
C24 C 0.8218(6) 0.7947(8) -0.0152(6) 0.059(3) Uani 1 1 d . . .
H24A H 0.7942 0.8299 -0.0525 0.071 Uiso 1 1 calc R . .
H24B H 0.8462 0.8338 0.0211 0.071 Uiso 1 1 calc R . .
C26 C 0.7831(6) 0.7388(9) 0.0104(6) 0.068(4) Uani 1 1 d . . .
H26A H 0.7554 0.7753 0.0237 0.082 Uiso 1 1 calc R . .
H26B H 0.7573 0.7014 -0.0264 0.082 Uiso 1 1 calc R . .
C27 C 0.8204(6) 0.6848(8) 0.0688(7) 0.067(4) Uani 1 1 d . . .
H27A H 0.8382 0.6367 0.0526 0.081 Uiso 1 1 calc R . .
H27B H 0.7932 0.6609 0.0899 0.081 Uiso 1 1 calc R . .
C28 C 0.8724(7) 0.7349(9) 0.1215(6) 0.079(5) Uani 1 1 d . . .
H28A H 0.9022 0.7527 0.1016 0.094 Uiso 1 1 calc R . .
H28B H 0.8550 0.7872 0.1330 0.094 Uiso 1 1 calc R . .
C29 C 0.9067(6) 0.6851(9) 0.1860(6) 0.072(4) Uani 1 1 d . . .
H29A H 0.8789 0.6743 0.2100 0.086 Uiso 1 1 calc R . .
H29B H 0.9203 0.6295 0.1749 0.086 Uiso 1 1 calc R . .
C30 C 0.9621(5) 0.7360(8) 0.2304(6) 0.054(3) Uani 1 1 d . . .
H30A H 0.9666 0.7269 0.2775 0.064 Uiso 1 1 calc R . .
H30B H 0.9528 0.7970 0.2203 0.064 Uiso 1 1 calc R . .
C31 C 1.0877(5) 0.7898(7) 0.2821(5) 0.041(3) Uani 1 1 d . . .
C32 C 1.0664(6) 0.8610(7) 0.3058(5) 0.051(3) Uani 1 1 d . . .
H32A H 1.0236 0.8685 0.2943 0.061 Uiso 1 1 calc R . .
C33 C 1.1070(7) 0.9205(8) 0.3457(6) 0.058(4) Uani 1 1 d . . .
H33A H 1.0917 0.9683 0.3614 0.069 Uiso 1 1 calc R . .
C34 C 1.1702(8) 0.9115(8) 0.3633(6) 0.067(4) Uani 1 1 d . . .
H34A H 1.1978 0.9533 0.3900 0.080 Uiso 1 1 calc R . .
C35 C 1.1917(6) 0.8415(8) 0.3414(6) 0.059(3) Uani 1 1 d . . .
H35A H 1.2347 0.8342 0.3546 0.070 Uiso 1 1 calc R . .
C36 C 1.1522(6) 0.7805(8) 0.3004(5) 0.052(3) Uani 1 1 d . . .
H36A H 1.1681 0.7332 0.2847 0.062 Uiso 1 1 calc R . .
C41 C 1.0827(5) 0.8285(7) 0.1398(4) 0.034(3) Uani 1 1 d . . .
F42 F 1.1780(3) 0.7734(4) 0.1491(3) 0.0515(16) Uani 1 1 d . . .
C42 C 1.1436(5) 0.8412(7) 0.1515(5) 0.042(3) Uani 1 1 d . . .
F43 F 1.2330(3) 0.9257(4) 0.1787(3) 0.064(2) Uani 1 1 d . . .
C43 C 1.1728(5) 0.9183(8) 0.1679(5) 0.044(3) Uani 1 1 d . . .
F44 F 1.1698(4) 1.0644(4) 0.1913(4) 0.074(2) Uani 1 1 d . . .
C44 C 1.1415(7) 0.9891(8) 0.1735(6) 0.054(3) Uani 1 1 d . . .
F45 F 1.0486(4) 1.0489(4) 0.1681(3) 0.068(2) Uani 1 1 d . . .
C45 C 1.0804(6) 0.9814(7) 0.1624(5) 0.046(3) Uani 1 1 d . . .
F46 F 0.9916(3) 0.8987(4) 0.1355(3) 0.0508(17) Uani 1 1 d . . .
C46 C 1.0517(5) 0.9028(8) 0.1444(5) 0.043(3) Uani 1 1 d . . .
C51 C 0.5957(5) 1.1188(7) 0.0643(5) 0.042(3) Uani 1 1 d . . .
H51A H 0.6008 1.1158 0.1120 0.050 Uiso 1 1 calc R . .
H51B H 0.5733 1.0672 0.0418 0.050 Uiso 1 1 calc R . .
C52 C 0.6591(5) 1.1185(7) 0.0604(5) 0.037(3) Uani 1 1 d . . .
H52A H 0.6806 1.1718 0.0805 0.044 Uiso 1 1 calc R . .
H52B H 0.6540 1.1179 0.0127 0.044 Uiso 1 1 calc R . .
C53 C 0.6990(5) 1.0427(7) 0.0960(5) 0.047(3) Uani 1 1 d . . .
H53A H 0.7397 1.0482 0.0928 0.057 Uiso 1 1 calc R . .
H53B H 0.7053 1.0445 0.1441 0.057 Uiso 1 1 calc R . .
C54 C 0.6718(6) 0.9577(7) 0.0677(6) 0.049(3) Uani 1 1 d . . .
H54A H 0.7018 0.9128 0.0910 0.059 Uiso 1 1 calc R . .
H54B H 0.6348 0.9484 0.0783 0.059 Uiso 1 1 calc R . .
C55 C 0.6539(5) 0.9462(7) -0.0065(5) 0.041(3) Uani 1 1 d . . .
H55A H 0.6182 0.9832 -0.0300 0.049 Uiso 1 1 calc R . .
H55B H 0.6406 0.8866 -0.0181 0.049 Uiso 1 1 calc R . .
C56 C 0.7040(5) 0.9660(7) -0.0329(5) 0.042(3) Uani 1 1 d . . .
H56A H 0.7124 1.0279 -0.0286 0.050 Uiso 1 1 calc R . .
H56B H 0.7421 0.9363 -0.0046 0.050 Uiso 1 1 calc R . .
C57 C 0.6882(5) 0.9405(7) -0.1046(5) 0.043(3) Uani 1 1 d . . .
H57A H 0.6853 0.8776 -0.1073 0.052 Uiso 1 1 calc R . .
H57B H 0.7225 0.9576 -0.1177 0.052 Uiso 1 1 calc R . .
C58 C 0.6289(6) 0.9772(7) -0.1556(5) 0.048(3) Uani 1 1 d . . .
H58A H 0.6257 0.9591 -0.2007 0.057 Uiso 1 1 calc R . .
H58B H 0.5940 0.9515 -0.1475 0.057 Uiso 1 1 calc R . .
C59 C 0.6218(5) 1.0723(6) -0.1562(5) 0.038(3) Uani 1 1 d . . .
H59A H 0.6555 1.0993 -0.1659 0.045 Uiso 1 1 calc R . .
H59B H 0.6248 1.0917 -0.1114 0.045 Uiso 1 1 calc R . .
C60 C 0.5600(5) 1.1007(6) -0.2088(5) 0.033(3) Uani 1 1 d . . .
H60A H 0.5295 1.0558 -0.2126 0.040 Uiso 1 1 calc R . .
H60B H 0.5645 1.1040 -0.2526 0.040 Uiso 1 1 calc R . .
C61 C 0.5664(5) 1.2849(7) -0.2217(4) 0.037(2) Uani 1 1 d . . .
C62 C 0.6322(5) 1.2898(7) -0.1944(5) 0.041(3) Uani 1 1 d . . .
H62A H 0.6551 1.2463 -0.1650 0.049 Uiso 1 1 calc R . .
C63 C 0.6627(6) 1.3559(7) -0.2100(5) 0.049(3) Uani 1 1 d . . .
H63A H 0.7063 1.3587 -0.1919 0.059 Uiso 1 1 calc R . .
C64 C 0.6272(7) 1.4193(7) -0.2536(5) 0.052(4) Uani 1 1 d . . .
H64A H 0.6469 1.4662 -0.2648 0.062 Uiso 1 1 calc R . .
C65 C 0.5643(6) 1.4141(7) -0.2803(6) 0.049(3) Uani 1 1 d . . .
H65A H 0.5413 1.4577 -0.3095 0.059 Uiso 1 1 calc R . .
C66 C 0.5344(6) 1.3479(7) -0.2657(5) 0.047(3) Uani 1 1 d . . .
H66A H 0.4909 1.3448 -0.2861 0.056 Uiso 1 1 calc R . .
C71 C 0.4476(6) 1.1950(7) -0.2548(6) 0.054(3) Uani 1 1 d . . .
H71A H 0.4467 1.2103 -0.2996 0.065 Uiso 1 1 calc R . .
H71B H 0.4350 1.1347 -0.2568 0.065 Uiso 1 1 calc R . .
C72 C 0.3995(6) 1.2474(8) -0.2426(5) 0.053(3) Uani 1 1 d . . .
H72A H 0.4051 1.2416 -0.1950 0.063 Uiso 1 1 calc R . .
H72B H 0.4060 1.3079 -0.2507 0.063 Uiso 1 1 calc R . .
C73 C 0.3366(6) 1.2243(8) -0.2841(6) 0.060(3) Uani 1 1 d . . .
H73A H 0.3312 1.1627 -0.2784 0.072 Uiso 1 1 calc R . .
H73B H 0.3303 1.2339 -0.3316 0.072 Uiso 1 1 calc R . .
C74 C 0.2877(6) 1.2722(9) -0.2692(7) 0.068(4) Uani 1 1 d . . .
H74A H 0.2911 1.3333 -0.2785 0.082 Uiso 1 1 calc R . .
H74B H 0.2471 1.2523 -0.3005 0.082 Uiso 1 1 calc R . .
C75 C 0.2899(6) 1.2639(8) -0.1995(6) 0.059(4) Uani 1 1 d . . .
H75A H 0.3109 1.2099 -0.1804 0.070 Uiso 1 1 calc R . .
H75B H 0.2473 1.2601 -0.2014 0.070 Uiso 1 1 calc R . .
C76 C 0.3225(6) 1.3364(9) -0.1525(6) 0.061(4) Uani 1 1 d . . .
H76A H 0.3573 1.3553 -0.1643 0.073 Uiso 1 1 calc R . .
H76B H 0.2936 1.3848 -0.1614 0.073 Uiso 1 1 calc R . .
C77 C 0.3463(7) 1.3184(12) -0.0803(7) 0.102(7) Uani 1 1 d . . .
H77A H 0.3478 1.3729 -0.0567 0.123 Uiso 1 1 calc R . .
H77B H 0.3160 1.2817 -0.0715 0.123 Uiso 1 1 calc R . .
C78 C 0.4016(7) 1.2811(11) -0.0520(8) 0.107(7) Uani 1 1 d . . .
H78A H 0.4306 1.3147 -0.0654 0.128 Uiso 1 1 calc R . .
H78B H 0.3984 1.2244 -0.0730 0.128 Uiso 1 1 calc R . .
C79 C 0.4326(5) 1.2676(7) 0.0257(6) 0.052(3) Uani 1 1 d . . .
H79A H 0.4535 1.3206 0.0473 0.063 Uiso 1 1 calc R . .
H79B H 0.4007 1.2542 0.0438 0.063 Uiso 1 1 calc R . .
C80 C 0.4789(5) 1.1952(7) 0.0421(5) 0.040(3) Uani 1 1 d . . .
H80A H 0.4579 1.1447 0.0161 0.048 Uiso 1 1 calc R . .
H80B H 0.4910 1.1811 0.0901 0.048 Uiso 1 1 calc R . .
C81 C 0.5858(5) 1.3002(6) 0.0813(5) 0.033(3) Uani 1 1 d . . .
C82 C 0.5689(5) 1.3843(6) 0.0624(5) 0.038(3) Uani 1 1 d . . .
H82A H 0.5381 1.3954 0.0196 0.046 Uiso 1 1 calc R . .
C83 C 0.5954(6) 1.4520(7) 0.1044(6) 0.054(3) Uani 1 1 d . . .
H83A H 0.5832 1.5087 0.0905 0.065 Uiso 1 1 calc R . .
C84 C 0.6407(6) 1.4357(9) 0.1676(6) 0.058(4) Uani 1 1 d . . .
H84A H 0.6601 1.4814 0.1967 0.070 Uiso 1 1 calc R . .
C85 C 0.6570(6) 1.3535(9) 0.1871(5) 0.057(4) Uani 1 1 d . . .
H85A H 0.6871 1.3427 0.2304 0.068 Uiso 1 1 calc R . .
C86 C 0.6309(5) 1.2871(8) 0.1459(5) 0.042(3) Uani 1 1 d . . .
H86A H 0.6432 1.2307 0.1608 0.050 Uiso 1 1 calc R . .
C91 C 0.5782(5) 1.3295(6) -0.0777(5) 0.035(3) Uani 1 1 d . . .
F92 F 0.6776(3) 1.2796(4) -0.0130(3) 0.0567(17) Uani 1 1 d . . .
C92 C 0.6400(6) 1.3463(8) -0.0448(5) 0.045(3) Uani 1 1 d . . .
F93 F 0.7286(3) 1.4304(5) -0.0087(3) 0.070(2) Uani 1 1 d . . .
C93 C 0.6671(5) 1.4254(8) -0.0420(5) 0.047(3) Uani 1 1 d . . .
F94 F 0.6596(3) 1.5689(4) -0.0706(3) 0.061(2) Uani 1 1 d . . .
C94 C 0.6331(6) 1.4931(7) -0.0725(6) 0.041(3) Uani 1 1 d . . .
F95 F 0.5377(3) 1.5489(4) -0.1381(3) 0.0595(19) Uani 1 1 d . . .
C95 C 0.5718(6) 1.4819(7) -0.1061(5) 0.041(3) Uani 1 1 d . . .
F96 F 0.4848(3) 1.3972(4) -0.1446(3) 0.0454(15) Uani 1 1 d . . .
C96 C 0.5460(5) 1.4031(7) -0.1087(5) 0.034(2) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
C41 Pt1 P1 93.1(3) . . ?
C41 Pt1 P2 89.4(3) . . ?
P1 Pt1 P2 173.96(11) . . ?
C41 Pt1 Cl1 179.3(3) . . ?
P1 Pt1 Cl1 86.94(9) . . ?
P2 Pt1 Cl1 90.42(10) . . ?
C91 Pt2 P4 91.3(3) . . ?
C91 Pt2 P3 94.6(3) . . ?
P4 Pt2 P3 172.21(10) . . ?
C91 Pt2 Cl2 178.3(3) . . ?
P4 Pt2 Cl2 87.37(9) . . ?
P3 Pt2 Cl2 86.83(9) . . ?
C11 P1 C20 103.0(5) . . ?
C11 P1 C10 107.1(5) . . ?
C20 P1 C10 99.8(5) . . ?
C11 P1 Pt1 118.3(3) . . ?
C20 P1 Pt1 118.0(4) . . ?
C10 P1 Pt1 108.7(3) . . ?
C31 P2 C30 103.9(5) . . ?
C31 P2 C1 106.7(5) . . ?
C30 P2 C1 101.7(5) . . ?
C31 P2 Pt1 113.4(3) . . ?
C30 P2 Pt1 117.5(4) . . ?
C1 P2 Pt1 112.3(3) . . ?
C81 P3 C51 105.3(5) . . ?
C81 P3 C80 103.2(5) . . ?
C51 P3 C80 103.1(5) . . ?
C81 P3 Pt2 119.8(3) . . ?
C51 P3 Pt2 108.0(3) . . ?
C80 P3 Pt2 115.8(3) . . ?
C61 P4 C60 107.1(5) . . ?
C61 P4 C71 108.8(5) . . ?
C60 P4 C71 101.4(5) . . ?
C61 P4 Pt2 113.8(3) . . ?
C60 P4 Pt2 112.0(3) . . ?
C71 P4 Pt2 113.0(4) . . ?
C2 C1 P2 117.6(7) . . ?
C3 C2 C1 110.7(8) . . ?
C4 C3 C2 114.5(9) . . ?
C3 C4 C5 113.3(10) . . ?
C6 C5 C4 112.7(12) . . ?
C5 C6 C7 112.5(11) . . ?
C8 C7 C6 117.0(11) . . ?
C7 C8 C9 114.6(10) . . ?
C10 C9 C8 111.0(10) . . ?
C9 C10 P1 117.7(8) . . ?
C12 C11 C16 117.5(10) . . ?
C12 C11 P1 119.3(8) . . ?
C16 C11 P1 123.2(9) . . ?
C11 C12 C13 122.0(10) . . ?
C14 C13 C12 120.1(11) . . ?
C13 C14 C15 119.5(12) . . ?
C14 C15 C16 120.6(12) . . ?
C15 C16 C11 120.2(11) . . ?
C21 C20 P1 120.4(8) . . ?
C20 C21 C22 114.0(10) . . ?
C23 C22 C21 115.7(11) . . ?
C22 C23 C24 113.2(11) . . ?
C23 C24 C26 114.3(11) . . ?
C27 C26 C24 113.2(12) . . ?
C26 C27 C28 112.4(12) . . ?
C29 C28 C27 114.1(12) . . ?
C30 C29 C28 109.6(11) . . ?
C29 C30 P2 118.1(9) . . ?
C32 C31 C36 118.2(11) . . ?
C32 C31 P2 122.3(9) . . ?
C36 C31 P2 119.3(9) . . ?
C33 C32 C31 120.7(13) . . ?
C32 C33 C34 121.0(12) . . ?
C35 C34 C33 118.9(13) . . ?
C34 C35 C36 121.9(14) . . ?
C35 C36 C31 119.3(12) . . ?
C42 C41 C46 113.6(10) . . ?
C42 C41 Pt1 124.5(8) . . ?
C46 C41 Pt1 122.0(8) . . ?
F42 C42 C43 117.3(11) . . ?
F42 C42 C41 118.5(10) . . ?
C43 C42 C41 124.2(11) . . ?
F43 C43 C44 118.8(11) . . ?
F43 C43 C42 120.7(11) . . ?
C44 C43 C42 120.5(12) . . ?
F44 C44 C43 121.2(13) . . ?
F44 C44 C45 120.2(12) . . ?
C43 C44 C45 118.6(11) . . ?
F45 C45 C44 120.2(11) . . ?
F45 C45 C46 120.3(12) . . ?
C44 C45 C46 119.5(11) . . ?
F46 C46 C45 116.8(11) . . ?
F46 C46 C41 119.6(10) . . ?
C45 C46 C41 123.5(11) . . ?
C52 C51 P3 114.1(7) . . ?
C51 C52 C53 113.6(9) . . ?
C54 C53 C52 113.6(10) . . ?
C55 C54 C53 116.2(9) . . ?
C54 C55 C56 115.5(10) . . ?
C57 C56 C55 113.9(9) . . ?
C56 C57 C58 116.4(9) . . ?
C59 C58 C57 116.8(9) . . ?
C58 C59 C60 111.5(9) . . ?
C59 C60 P4 117.2(7) . . ?
C66 C61 C62 117.8(10) . . ?
C66 C61 P4 122.3(9) . . ?
C62 C61 P4 119.8(8) . . ?
C63 C62 C61 121.5(11) . . ?
C62 C63 C64 117.7(12) . . ?
C65 C64 C63 120.7(11) . . ?
C66 C65 C64 121.4(11) . . ?
C65 C66 C61 120.8(12) . . ?
C72 C71 P4 119.0(8) . . ?
C73 C72 C71 114.5(10) . . ?
C72 C73 C74 115.2(11) . . ?
C75 C74 C73 115.7(12) . . ?
C74 C75 C76 114.9(10) . . ?
C77 C76 C75 117.0(12) . . ?
C78 C77 C76 118.6(14) . . ?
C77 C78 C79 121.5(13) . . ?
C80 C79 C78 110.5(10) . . ?
C79 C80 P3 117.8(7) . . ?
C82 C81 C86 116.8(9) . . ?
C82 C81 P3 121.2(8) . . ?
C86 C81 P3 121.9(8) . . ?
C83 C82 C81 122.0(11) . . ?
C82 C83 C84 119.0(11) . . ?
C85 C84 C83 119.6(11) . . ?
C86 C85 C84 121.3(12) . . ?
C85 C86 C81 121.3(11) . . ?
C92 C91 C96 111.1(10) . . ?
C92 C91 Pt2 126.6(9) . . ?
C96 C91 Pt2 122.3(8) . . ?
F92 C92 C91 117.6(10) . . ?
F92 C92 C93 117.6(11) . . ?
C91 C92 C93 124.8(12) . . ?
C94 C93 F93 122.2(11) . . ?
C94 C93 C92 120.6(11) . . ?
F93 C93 C92 117.2(12) . . ?
F94 C94 C93 120.4(11) . . ?
F94 C94 C95 121.3(11) . . ?
C93 C94 C95 118.2(10) . . ?
F95 C95 C94 118.5(10) . . ?
F95 C95 C96 121.2(11) . . ?
C94 C95 C96 120.2(11) . . ?
F96 C96 C95 116.3(10) . . ?
F96 C96 C91 118.7(9) . . ?
C95 C96 C91 125.0(11) . . ?
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 C41 2.005(11) . ?
Pt1 P1 2.318(3) . ?
Pt1 P2 2.323(2) . ?
Pt1 Cl1 2.380(3) . ?
Pt2 C91 1.989(10) . ?
Pt2 P4 2.303(2) . ?
Pt2 P3 2.313(2) . ?
Pt2 Cl2 2.377(2) . ?
P1 C11 1.818(11) . ?
P1 C20 1.825(12) . ?
P1 C10 1.840(11) . ?
P2 C31 1.813(12) . ?
P2 C30 1.825(11) . ?
P2 C1 1.830(10) . ?
P3 C81 1.812(9) . ?
P3 C51 1.832(11) . ?
P3 C80 1.832(11) . ?
P4 C61 1.789(11) . ?
P4 C60 1.839(10) . ?
P4 C71 1.863(12) . ?
C1 C2 1.529(13) . ?
C2 C3 1.517(13) . ?
C3 C4 1.491(14) . ?
C4 C5 1.558(15) . ?
C5 C6 1.430(17) . ?
C6 C7 1.565(15) . ?
C7 C8 1.470(16) . ?
C8 C9 1.549(14) . ?
C9 C10 1.515(15) . ?
C11 C12 1.365(15) . ?
C11 C16 1.408(14) . ?
C12 C13 1.405(14) . ?
C13 C14 1.355(16) . ?
C14 C15 1.383(17) . ?
C15 C16 1.393(15) . ?
C20 C21 1.484(16) . ?
C21 C22 1.497(15) . ?
C22 C23 1.494(15) . ?
C23 C24 1.506(15) . ?
C24 C26 1.513(17) . ?
C26 C27 1.497(17) . ?
C27 C28 1.536(18) . ?
C28 C29 1.533(17) . ?
C29 C30 1.520(17) . ?
C31 C32 1.399(14) . ?
C31 C36 1.424(15) . ?
C32 C33 1.379(17) . ?
C33 C34 1.396(18) . ?
C34 C35 1.367(17) . ?
C35 C36 1.394(16) . ?
C41 C42 1.374(15) . ?
C41 C46 1.400(15) . ?
F42 C42 1.351(12) . ?
C42 C43 1.371(15) . ?
F43 C43 1.351(13) . ?
C43 C44 1.366(16) . ?
F44 C44 1.341(13) . ?
C44 C45 1.370(17) . ?
F45 C45 1.330(12) . ?
C45 C46 1.391(15) . ?
F46 C46 1.355(12) . ?
C51 C52 1.526(14) . ?
C52 C53 1.532(14) . ?
C53 C54 1.508(15) . ?
C54 C55 1.505(14) . ?
C55 C56 1.523(13) . ?
C56 C57 1.502(13) . ?
C57 C58 1.525(15) . ?
C58 C59 1.504(14) . ?
C59 C60 1.533(14) . ?
C61 C66 1.381(14) . ?
C61 C62 1.435(14) . ?
C62 C63 1.377(14) . ?
C63 C64 1.408(16) . ?
C64 C65 1.371(17) . ?
C65 C66 1.360(15) . ?
C71 C72 1.500(15) . ?
C72 C73 1.456(16) . ?
C73 C74 1.509(16) . ?
C74 C75 1.490(15) . ?
C75 C76 1.526(16) . ?
C76 C77 1.471(16) . ?
C77 C78 1.345(19) . ?
C78 C79 1.569(18) . ?
C79 C80 1.522(14) . ?
C81 C82 1.396(13) . ?
C81 C86 1.410(14) . ?
C82 C83 1.383(14) . ?
C83 C84 1.401(17) . ?
C84 C85 1.367(17) . ?
C85 C86 1.359(14) . ?
C91 C92 1.381(15) . ?
C91 C96 1.407(14) . ?
F92 C92 1.376(13) . ?
C92 C93 1.388(15) . ?
F93 C93 1.353(13) . ?
C93 C94 1.344(16) . ?
F94 C94 1.337(11) . ?
C94 C95 1.361(16) . ?
F95 C95 1.346(12) . ?
C95 C96 1.370(14) . ?
F96 C96 1.357(11) . ?
