#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/29/4302915.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_4302915
loop_
_publ_author_name
'Ester Alonso'
'Juan Forniés'
'Consuelo Fortuño'
'Agustí Lledós'
'Antonio Martín'
'Ainara Nova'
_publ_section_title
;
Behavior of P-Pt and P-Pd Bonds in Phosphido Complexes toward
Electrophilic Fragments
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              7679
_journal_page_last               7690
_journal_paper_doi               10.1021/ic900415m
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C74.5 H55 Au Cl6 F10 O4 P4 Pt2'
_chemical_formula_weight         2127.91
_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                90.8790(10)
_cell_angle_beta                 91.9760(10)
_cell_angle_gamma                113.6060(10)
_cell_formula_units_Z            2
_cell_length_a                   12.6684(7)
_cell_length_b                   13.7285(8)
_cell_length_c                   23.0192(13)
_cell_measurement_reflns_used    6981
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.00
_cell_measurement_theta_min      2.36
_cell_volume                     3664.4(4)
_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      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '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  0.0143
_diffrn_reflns_av_sigmaI/netI    0.0276
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            20227
_diffrn_reflns_theta_full        25.03
_diffrn_reflns_theta_max         25.03
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    6.186
_exptl_absorpt_correction_T_max  0.1910
_exptl_absorpt_correction_T_min  0.1515
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.929
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2042
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.959
_refine_diff_density_min         -1.842
_refine_diff_density_rms         0.101
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     919
_refine_ls_number_reflns         12733
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0259
_refine_ls_R_factor_gt           0.0225
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0321P)²+0.3835P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0551
_refine_ls_wR_factor_ref         0.0560
_reflns_number_gt                11568
_reflns_number_total             12733
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic900415m_si_002_3.cif
_cod_data_source_block           6
_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        'C74.50 H55 Au Cl6 F10 O4 P4 Pt2'
_cod_database_code               4302915
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 0.410239(11) 0.577123(11) -0.244172(6) 0.01362(4) Uani 1 1 d . . .
Pt2 Pt 0.405276(11) 0.691777(11) -0.148837(6) 0.01403(4) Uani 1 1 d . . .
Au Au 0.236412(12) 0.387734(11) -0.264475(6) 0.01792(4) Uani 1 1 d . . .
P1 P 0.26508(8) 0.52421(8) -0.18067(4) 0.0148(2) Uani 1 1 d . . .
P2 P 0.54321(8) 0.73779(8) -0.21701(4) 0.0151(2) Uani 1 1 d . . .
P3 P 0.47760(8) 0.51999(8) -0.32130(4) 0.0152(2) Uani 1 1 d . . .
P4 P 0.09826(8) 0.21966(8) -0.28281(4) 0.0193(2) Uani 1 1 d . . .
F1 F 0.20118(18) 0.76711(18) -0.12770(9) 0.0253(5) Uani 1 1 d . . .
F2 F 0.0592(2) 0.7431(2) -0.04056(11) 0.0365(6) Uani 1 1 d . . .
F3 F 0.0773(2) 0.6365(2) 0.05520(10) 0.0430(7) Uani 1 1 d . . .
F4 F 0.2417(2) 0.5564(2) 0.06322(11) 0.0460(7) Uani 1 1 d . . .
F5 F 0.38329(19) 0.57867(19) -0.02340(10) 0.0288(5) Uani 1 1 d . . .
F6 F 0.42713(19) 0.92616(18) -0.17810(10) 0.0274(5) Uani 1 1 d . . .
F7 F 0.5254(2) 1.11325(18) -0.12034(11) 0.0370(6) Uani 1 1 d . . .
F8 F 0.6516(2) 1.1310(2) -0.02016(12) 0.0451(7) Uani 1 1 d . . .
F9 F 0.6743(2) 0.9567(2) 0.02313(10) 0.0394(7) Uani 1 1 d . . .
F10 F 0.57385(19) 0.76860(18) -0.03323(9) 0.0269(5) Uani 1 1 d . . .
C1 C 0.2959(3) 0.6708(3) -0.08053(16) 0.0175(8) Uani 1 1 d . . .
C2 C 0.2127(3) 0.7118(3) -0.08155(16) 0.0201(9) Uani 1 1 d . . .
C3 C 0.1394(3) 0.7010(3) -0.03693(18) 0.0260(10) Uani 1 1 d . . .
C4 C 0.1482(4) 0.6467(3) 0.01155(18) 0.0291(10) Uani 1 1 d . . .
C5 C 0.2302(4) 0.6069(3) 0.01505(17) 0.0281(10) Uani 1 1 d . . .
C6 C 0.3031(3) 0.6199(3) -0.03030(17) 0.0218(9) Uani 1 1 d . . .
C7 C 0.4974(3) 0.8394(3) -0.10862(16) 0.0164(8) Uani 1 1 d . . .
C8 C 0.4885(3) 0.9305(3) -0.12865(17) 0.0220(9) Uani 1 1 d . . .
C9 C 0.5388(4) 1.0274(3) -0.09947(19) 0.0271(10) Uani 1 1 d . . .
C10 C 0.6027(4) 1.0367(3) -0.04901(19) 0.0295(10) Uani 1 1 d . . .
C11 C 0.6142(3) 0.9487(3) -0.02757(17) 0.0264(10) Uani 1 1 d . . .
C12 C 0.5620(3) 0.8519(3) -0.05716(16) 0.0201(8) Uani 1 1 d . . .
C13 C 0.2507(3) 0.4210(3) -0.12957(15) 0.0175(8) Uani 1 1 d . . .
C14 C 0.3515(3) 0.4133(3) -0.10895(17) 0.0230(9) Uani 1 1 d . . .
H14A H 0.4241 0.4626 -0.1208 0.028 Uiso 1 1 calc R . .
C15 C 0.3471(4) 0.3348(3) -0.07161(18) 0.0307(10) Uani 1 1 d . . .
H15A H 0.4163 0.3293 -0.0584 0.037 Uiso 1 1 calc R . .
C16 C 0.2427(4) 0.2643(3) -0.05328(17) 0.0296(10) Uani 1 1 d . . .
H16A H 0.2400 0.2116 -0.0265 0.035 Uiso 1 1 calc R . .
C17 C 0.1417(3) 0.2701(3) -0.07383(17) 0.0275(10) Uani 1 1 d . . .
H17A H 0.0696 0.2208 -0.0614 0.033 Uiso 1 1 calc R . .
C18 C 0.1451(3) 0.3474(3) -0.11246(16) 0.0215(9) Uani 1 1 d . . .
H18A H 0.0754 0.3502 -0.1272 0.026 Uiso 1 1 calc R . .
C19 C 0.1303(3) 0.5368(3) -0.19656(16) 0.0175(8) Uani 1 1 d . . .
C20 C 0.1146(3) 0.5702(3) -0.25106(17) 0.0266(9) Uani 1 1 d . . .
H20A H 0.1713 0.5814 -0.2791 0.032 Uiso 1 1 calc R . .
C21 C 0.0159(4) 0.5878(4) -0.26538(19) 0.0362(11) Uani 1 1 d . . .
H21A H 0.0055 0.6114 -0.3029 0.043 Uiso 1 1 calc R . .
C22 C -0.0663(4) 0.5707(4) -0.22474(19) 0.0350(11) Uani 1 1 d . . .
H22A H -0.1347 0.5806 -0.2348 0.042 Uiso 1 1 calc R . .
C23 C -0.0507(3) 0.5394(3) -0.16962(18) 0.0279(10) Uani 1 1 d . . .
H23A H -0.1071 0.5297 -0.1416 0.033 Uiso 1 1 calc R . .
C24 C 0.0476(3) 0.5219(3) -0.15514(16) 0.0204(9) Uani 1 1 d . . .
H24A H 0.0584 0.4999 -0.1173 0.024 Uiso 1 1 calc R . .
C25 C 0.6866(3) 0.7532(3) -0.19282(17) 0.0218(9) Uani 1 1 d . . .
C26 C 0.7019(4) 0.7156(3) -0.13914(17) 0.0283(10) Uani 1 1 d . . .
H26A H 0.6379 0.6826 -0.1155 0.034 Uiso 1 1 calc R . .
C27 C 0.8105(4) 0.7263(4) -0.12010(19) 0.0408(12) Uani 1 1 d . . .
H27A H 0.8211 0.7008 -0.0831 0.049 Uiso 1 1 calc R . .
C28 C 0.9041(4) 0.7736(5) -0.1543(2) 0.0484(14) Uani 1 1 d . . .
H28A H 0.9792 0.7830 -0.1403 0.058 Uiso 1 1 calc R . .
C29 C 0.8880(4) 0.8069(4) -0.2084(2) 0.0407(12) Uani 1 1 d . . .
H29A H 0.9517 0.8368 -0.2326 0.049 Uiso 1 1 calc R . .
C30 C 0.7796(3) 0.7974(3) -0.22833(18) 0.0269(10) Uani 1 1 d . . .
H30A H 0.7690 0.8207 -0.2659 0.032 Uiso 1 1 calc R . .
C31 C 0.5548(3) 0.8468(3) -0.26221(16) 0.0181(8) Uani 1 1 d . . .
C32 C 0.6469(3) 0.9450(3) -0.25734(18) 0.0275(10) Uani 1 1 d . . .
H32A H 0.7084 0.9565 -0.2297 0.033 Uiso 1 1 calc R . .
C33 C 0.6494(4) 1.0260(3) -0.2926(2) 0.0356(11) Uani 1 1 d . . .
H33A H 0.7131 1.0931 -0.2895 0.043 Uiso 1 1 calc R . .
C34 C 0.5594(4) 1.0098(3) -0.3323(2) 0.0369(11) Uani 1 1 d . . .
H34A H 0.5623 1.0656 -0.3570 0.044 Uiso 1 1 calc R . .
C35 C 0.4660(4) 0.9141(3) -0.33658(19) 0.0305(10) Uani 1 1 d . . .
H35A H 0.4038 0.9040 -0.3636 0.037 Uiso 1 1 calc R . .
C36 C 0.4627(3) 0.8324(3) -0.30128(17) 0.0219(9) Uani 1 1 d . . .
H36A H 0.3977 0.7662 -0.3037 0.026 Uiso 1 1 calc R . .
C37 C 0.4926(3) 0.4011(3) -0.29729(16) 0.0193(8) Uani 1 1 d . . .
C38 C 0.5595(3) 0.4105(3) -0.24634(17) 0.0265(9) Uani 1 1 d . . .
H38A H 0.6018 0.4786 -0.2284 0.032 Uiso 1 1 calc R . .
C39 C 0.5641(4) 0.3207(4) -0.22186(19) 0.0321(10) Uani 1 1 d . . .
H39A H 0.6091 0.3272 -0.1870 0.038 Uiso 1 1 calc R . .
C40 C 0.5032(4) 0.2216(4) -0.2480(2) 0.0348(11) Uani 1 1 d . . .
H40A H 0.5073 0.1603 -0.2313 0.042 Uiso 1 1 calc R . .
C41 C 0.4368(4) 0.2116(3) -0.2981(2) 0.0314(10) Uani 1 1 d . . .
H41A H 0.3942 0.1432 -0.3155 0.038 Uiso 1 1 calc R . .
C42 C 0.4318(3) 0.3010(3) -0.32314(18) 0.0235(9) Uani 1 1 d . . .
H42A H 0.3867 0.2938 -0.3581 0.028 Uiso 1 1 calc R . .
C43 C 0.3869(3) 0.4921(3) -0.38707(16) 0.0175(8) Uani 1 1 d . . .
C44 C 0.3013(3) 0.5318(3) -0.39178(17) 0.0223(9) Uani 1 1 d . . .
H44A H 0.2872 0.5677 -0.3593 0.027 Uiso 1 1 calc R . .
C45 C 0.2370(4) 0.5194(3) -0.44331(17) 0.0276(10) Uani 1 1 d . . .
H45A H 0.1787 0.5464 -0.4462 0.033 Uiso 1 1 calc R . .
C46 C 0.2579(4) 0.4673(3) -0.49073(18) 0.0310(10) Uani 1 1 d . . .
H46A H 0.2138 0.4583 -0.5261 0.037 Uiso 1 1 calc R . .
C47 C 0.3437(3) 0.4282(3) -0.48649(17) 0.0266(10) Uani 1 1 d . . .
H47A H 0.3571 0.3917 -0.5189 0.032 Uiso 1 1 calc R . .
C48 C 0.4095(3) 0.4421(3) -0.43534(16) 0.0223(9) Uani 1 1 d . . .
H48A H 0.4698 0.4177 -0.4331 0.027 Uiso 1 1 calc R . .
C49 C 0.6161(3) 0.6096(3) -0.34697(15) 0.0170(8) Uani 1 1 d . . .
C50 C 0.6209(3) 0.7052(3) -0.36921(16) 0.0220(9) Uani 1 1 d . . .
H50A H 0.5537 0.7199 -0.3706 0.026 Uiso 1 1 calc R . .
C51 C 0.7228(3) 0.7785(3) -0.38924(17) 0.0263(9) Uani 1 1 d . . .
H51A H 0.7257 0.8433 -0.4046 0.032 Uiso 1 1 calc R . .
C52 C 0.8213(4) 0.7570(3) -0.38688(17) 0.0305(10) Uani 1 1 d . . .
H52A H 0.8919 0.8081 -0.3998 0.037 Uiso 1 1 calc R . .
C53 C 0.8169(3) 0.6631(3) -0.36611(17) 0.0269(10) Uani 1 1 d . . .
H53A H 0.8841 0.6483 -0.3657 0.032 Uiso 1 1 calc R . .
C54 C 0.7151(3) 0.5884(3) -0.34549(16) 0.0212(9) Uani 1 1 d . . .
H54A H 0.7131 0.5236 -0.3305 0.025 Uiso 1 1 calc R . .
C55 C 0.0403(3) 0.1830(3) -0.35652(17) 0.0204(8) Uani 1 1 d . . .
C56 C 0.0985(3) 0.2407(3) -0.40245(17) 0.0261(9) Uani 1 1 d . . .
H56A H 0.1688 0.3011 -0.3953 0.031 Uiso 1 1 calc R . .
C57 C 0.0551(4) 0.2110(4) -0.45905(18) 0.0334(11) Uani 1 1 d . . .
H57A H 0.0952 0.2515 -0.4905 0.040 Uiso 1 1 calc R . .
C58 C -0.0457(4) 0.1233(3) -0.46973(19) 0.0335(11) Uani 1 1 d . . .
H58A H -0.0750 0.1019 -0.5085 0.040 Uiso 1 1 calc R . .
C59 C -0.1040(4) 0.0666(4) -0.4239(2) 0.0440(13) Uani 1 1 d . . .
H59A H -0.1740 0.0060 -0.4314 0.053 Uiso 1 1 calc R . .
C60 C -0.0631(4) 0.0956(3) -0.36767(19) 0.0370(12) Uani 1 1 d . . .
H60A H -0.1053 0.0561 -0.3364 0.044 Uiso 1 1 calc R . .
C61 C 0.1448(3) 0.1184(3) -0.25780(18) 0.0256(9) Uani 1 1 d . . .
C62 C 0.1329(3) 0.0300(3) -0.2924(2) 0.0306(10) Uani 1 1 d . . .
H62A H 0.1001 0.0212 -0.3308 0.037 Uiso 1 1 calc R . .
C63 C 0.1698(4) -0.0454(4) -0.2698(2) 0.0405(12) Uani 1 1 d . . .
H63A H 0.1626 -0.1054 -0.2932 0.049 Uiso 1 1 calc R . .
C64 C 0.2161(4) -0.0336(4) -0.2143(2) 0.0463(14) Uani 1 1 d . . .
H64A H 0.2381 -0.0868 -0.1987 0.056 Uiso 1 1 calc R . .
C65 C 0.2310(4) 0.0558(4) -0.1807(2) 0.0464(14) Uani 1 1 d . . .
H65A H 0.2652 0.0647 -0.1425 0.056 Uiso 1 1 calc R . .
C66 C 0.1963(3) 0.1323(4) -0.20234(19) 0.0328(11) Uani 1 1 d . . .
H66A H 0.2076 0.1940 -0.1794 0.039 Uiso 1 1 calc R . .
C67 C -0.0246(3) 0.2084(3) -0.24046(17) 0.0257(9) Uani 1 1 d . . .
C68 C -0.0751(3) 0.2799(3) -0.25331(19) 0.0294(10) Uani 1 1 d . . .
H68A H -0.0480 0.3274 -0.2842 0.035 Uiso 1 1 calc R . .
C69 C -0.1644(4) 0.2814(4) -0.2211(2) 0.0393(12) Uani 1 1 d . . .
H69A H -0.1995 0.3291 -0.2302 0.047 Uiso 1 1 calc R . .
C70 C -0.2026(4) 0.2136(5) -0.1756(2) 0.0492(15) Uani 1 1 d . . .
H70A H -0.2629 0.2158 -0.1529 0.059 Uiso 1 1 calc R . .
C71 C -0.1540(4) 0.1430(4) -0.1629(2) 0.0457(14) Uani 1 1 d . . .
H71A H -0.1809 0.0965 -0.1316 0.055 Uiso 1 1 calc R . .
C72 C -0.0647(4) 0.1388(4) -0.19607(18) 0.0331(11) Uani 1 1 d . . .
H72A H -0.0324 0.0886 -0.1879 0.040 Uiso 1 1 calc R . .
Cl1 Cl 0.15648(9) 0.75897(8) 0.58892(5) 0.0325(2) Uani 1 1 d . . .
O1 O 0.1110(4) 0.8351(3) 0.60607(17) 0.0657(12) Uani 1 1 d . . .
O2 O 0.0681(3) 0.6720(3) 0.55845(18) 0.0590(11) Uani 1 1 d . . .
O3 O 0.2501(3) 0.8076(3) 0.55170(14) 0.0541(10) Uani 1 1 d . . .
O4 O 0.1973(3) 0.7232(3) 0.63995(15) 0.0483(9) Uani 1 1 d . . .
C73 C 0.6173(4) 0.9310(4) 0.4614(2) 0.0485(13) Uani 1 1 d . . .
H73A H 0.6566 1.0092 0.4667 0.058 Uiso 1 1 calc R . .
H73B H 0.5670 0.9156 0.4256 0.058 Uiso 1 1 calc R . .
Cl2 Cl 0.5351(2) 0.8825(2) 0.51791(11) 0.1313(10) Uani 1 1 d . . .
Cl3 Cl 0.72286(11) 0.87835(10) 0.45188(5) 0.0440(3) Uani 1 1 d . . .
C74 C 0.8120(5) 0.3074(4) 0.5806(2) 0.0495(14) Uani 1 1 d . . .
H74A H 0.8404 0.2525 0.5919 0.059 Uiso 1 1 calc R . .
H74B H 0.7866 0.2947 0.5390 0.059 Uiso 1 1 calc R . .
Cl4 Cl 0.69434(14) 0.29439(11) 0.62191(7) 0.0677(5) Uani 1 1 d . . .
Cl5 Cl 0.92404(11) 0.43201(11) 0.58974(7) 0.0553(4) Uani 1 1 d . . .
C75 C 0.0376(11) -0.0292(10) 0.9749(3) 0.122(8) Uani 0.50 1 d PDU . .
H75A H 0.0974 0.0105 0.9476 0.147 Uiso 0.50 1 calc PR . .
H75B H 0.0263 -0.1048 0.9721 0.147 Uiso 0.50 1 calc PR . .
Cl6 Cl 0.0873(2) 0.01990(14) 1.04584(13) 0.1300(10) Uani 1 1 d DU . .
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'
Pt Pt -1.7033 8.3905 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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'
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
P2 Pt1 P3 106.99(3) . . ?
P2 Pt1 P1 110.19(3) . . ?
P3 Pt1 P1 142.52(3) . . ?
P2 Pt1 Au 172.44(2) . . ?
P3 Pt1 Au 80.56(2) . . ?
P1 Pt1 Au 62.25(2) . . ?
P2 Pt1 Pt2 54.36(2) . . ?
P3 Pt1 Pt2 160.53(2) . . ?
P1 Pt1 Pt2 55.85(2) . . ?
Au Pt1 Pt2 118.084(7) . . ?
C7 Pt2 C1 83.99(14) . . ?
C7 Pt2 P2 87.59(10) . . ?
C1 Pt2 P2 171.52(10) . . ?
C7 Pt2 P1 166.32(10) . . ?
C1 Pt2 P1 82.94(10) . . ?
P2 Pt2 P1 105.53(3) . . ?
C7 Pt2 Pt1 140.02(10) . . ?
C1 Pt2 Pt1 135.96(10) . . ?
P2 Pt2 Pt1 52.50(2) . . ?
P1 Pt2 Pt1 53.05(2) . . ?
P4 Au P1 131.55(3) . . ?
P4 Au Pt1 175.36(3) . . ?
P1 Au Pt1 51.41(2) . . ?
C19 P1 C13 112.67(17) . . ?
C19 P1 Pt1 121.66(13) . . ?
C13 P1 Pt1 120.84(13) . . ?
C19 P1 Pt2 108.79(12) . . ?
C13 P1 Pt2 112.54(12) . . ?
Pt1 P1 Pt2 71.10(3) . . ?
C19 P1 Au 94.65(12) . . ?
C13 P1 Au 88.74(12) . . ?
Pt1 P1 Au 66.34(3) . . ?
Pt2 P1 Au 137.43(4) . . ?
C31 P2 C25 108.74(18) . . ?
C31 P2 Pt1 117.21(12) . . ?
C25 P2 Pt1 120.20(13) . . ?
C31 P2 Pt2 116.97(12) . . ?
C25 P2 Pt2 117.13(13) . . ?
Pt1 P2 Pt2 73.14(3) . . ?
C43 P3 C37 110.68(18) . . ?
C43 P3 C49 101.66(17) . . ?
C37 P3 C49 107.75(17) . . ?
C43 P3 Pt1 114.97(13) . . ?
C37 P3 Pt1 104.69(12) . . ?
C49 P3 Pt1 117.01(12) . . ?
C55 P4 C61 107.53(19) . . ?
C55 P4 C67 105.06(18) . . ?
C61 P4 C67 106.57(19) . . ?
C55 P4 Au 118.18(13) . . ?
C61 P4 Au 112.10(13) . . ?
C67 P4 Au 106.60(13) . . ?
C2 C1 C6 114.9(3) . . ?
C2 C1 Pt2 121.5(3) . . ?
C6 C1 Pt2 123.6(3) . . ?
F1 C2 C3 116.7(3) . . ?
F1 C2 C1 119.9(3) . . ?
C3 C2 C1 123.4(4) . . ?
F2 C3 C4 120.2(4) . . ?
F2 C3 C2 120.6(4) . . ?
C4 C3 C2 119.2(4) . . ?
F3 C4 C5 121.1(4) . . ?
F3 C4 C3 119.4(4) . . ?
C5 C4 C3 119.5(4) . . ?
F4 C5 C4 119.8(4) . . ?
F4 C5 C6 120.4(4) . . ?
C4 C5 C6 119.8(4) . . ?
F5 C6 C1 120.5(3) . . ?
F5 C6 C5 116.3(4) . . ?
C1 C6 C5 123.2(4) . . ?
C8 C7 C12 115.6(3) . . ?
C8 C7 Pt2 121.6(3) . . ?
C12 C7 Pt2 122.5(3) . . ?
F6 C8 C9 117.1(4) . . ?
F6 C8 C7 120.0(3) . . ?
C9 C8 C7 122.9(4) . . ?
F7 C9 C10 119.8(4) . . ?
F7 C9 C8 120.4(4) . . ?
C10 C9 C8 119.7(4) . . ?
F8 C10 C9 120.0(4) . . ?
F8 C10 C11 120.5(4) . . ?
C9 C10 C11 119.5(4) . . ?
F9 C11 C10 119.8(4) . . ?
F9 C11 C12 120.3(4) . . ?
C10 C11 C12 119.9(4) . . ?
F10 C12 C11 117.0(3) . . ?
F10 C12 C7 120.6(3) . . ?
C11 C12 C7 122.4(4) . . ?
C18 C13 C14 119.1(4) . . ?
C18 C13 P1 123.5(3) . . ?
C14 C13 P1 117.3(3) . . ?
C15 C14 C13 120.5(4) . . ?
C14 C15 C16 120.1(4) . . ?
C15 C16 C17 120.1(4) . . ?
C16 C17 C18 120.2(4) . . ?
C17 C18 C13 119.8(4) . . ?
C20 C19 C24 119.7(3) . . ?
C20 C19 P1 117.1(3) . . ?
C24 C19 P1 123.0(3) . . ?
C19 C20 C21 120.4(4) . . ?
C22 C21 C20 119.5(4) . . ?
C21 C22 C23 120.8(4) . . ?
C22 C23 C24 119.9(4) . . ?
C23 C24 C19 119.7(4) . . ?
C26 C25 C30 119.9(4) . . ?
C26 C25 P2 118.9(3) . . ?
C30 C25 P2 121.1(3) . . ?
C27 C26 C25 119.7(4) . . ?
C26 C27 C28 120.6(4) . . ?
C29 C28 C27 119.6(4) . . ?
C28 C29 C30 120.7(4) . . ?
C29 C30 C25 119.4(4) . . ?
C32 C31 C36 119.4(4) . . ?
C32 C31 P2 123.0(3) . . ?
C36 C31 P2 117.5(3) . . ?
C33 C32 C31 120.0(4) . . ?
C32 C33 C34 120.1(4) . . ?
C35 C34 C33 120.7(4) . . ?
C34 C35 C36 119.6(4) . . ?
C35 C36 C31 120.1(4) . . ?
C42 C37 C38 119.3(4) . . ?
C42 C37 P3 123.4(3) . . ?
C38 C37 P3 117.0(3) . . ?
C39 C38 C37 120.0(4) . . ?
C40 C39 C38 120.2(4) . . ?
C41 C40 C39 120.2(4) . . ?
C40 C41 C42 120.2(4) . . ?
C41 C42 C37 120.1(4) . . ?
C48 C43 C44 119.4(4) . . ?
C48 C43 P3 120.8(3) . . ?
C44 C43 P3 119.3(3) . . ?
C45 C44 C43 120.6(4) . . ?
C44 C45 C46 119.7(4) . . ?
C45 C46 C47 120.0(4) . . ?
C48 C47 C46 120.4(4) . . ?
C47 C48 C43 119.8(4) . . ?
C50 C49 C54 119.4(3) . . ?
C50 C49 P3 116.3(3) . . ?
C54 C49 P3 124.3(3) . . ?
C51 C50 C49 120.3(4) . . ?
C50 C51 C52 119.7(4) . . ?
C53 C52 C51 120.3(4) . . ?
C52 C53 C54 120.8(4) . . ?
C53 C54 C49 119.5(4) . . ?
C56 C55 C60 119.2(4) . . ?
C56 C55 P4 120.5(3) . . ?
C60 C55 P4 120.4(3) . . ?
C55 C56 C57 120.4(4) . . ?
C58 C57 C56 120.1(4) . . ?
C57 C58 C59 119.4(4) . . ?
C60 C59 C58 121.3(4) . . ?
C59 C60 C55 119.7(4) . . ?
C66 C61 C62 120.0(4) . . ?
C66 C61 P4 117.5(3) . . ?
C62 C61 P4 122.5(3) . . ?
C61 C62 C63 119.2(4) . . ?
C64 C63 C62 120.6(5) . . ?
C63 C64 C65 120.0(4) . . ?
C66 C65 C64 120.4(5) . . ?
C65 C66 C61 119.7(5) . . ?
C72 C67 C68 120.0(4) . . ?
C72 C67 P4 123.9(4) . . ?
C68 C67 P4 116.0(3) . . ?
C69 C68 C67 120.1(4) . . ?
C70 C69 C68 120.0(5) . . ?
C71 C70 C69 120.3(5) . . ?
C70 C71 C72 120.5(5) . . ?
C67 C72 C71 119.1(5) . . ?
O2 Cl1 O3 109.3(2) . . ?
O2 Cl1 O1 109.0(2) . . ?
O3 Cl1 O1 109.6(3) . . ?
O2 Cl1 O4 110.5(2) . . ?
O3 Cl1 O4 109.3(2) . . ?
O1 Cl1 O4 109.1(2) . . ?
Cl2 C73 Cl3 113.8(3) . . ?
Cl5 C74 Cl4 112.5(3) . . ?
Cl6 C75 Cl6 113.8(7) 2_557 . ?
C75 Cl6 C75 66.2(7) 2_557 . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pt1 P2 2.2367(9) . ?
Pt1 P3 2.2569(9) . ?
Pt1 P1 2.2791(9) . ?
Pt1 Au 2.6710(2) . ?
Pt1 Pt2 2.6982(2) . ?
Pt2 C7 2.073(4) . ?
Pt2 C1 2.079(4) . ?
Pt2 P2 2.2915(9) . ?
Pt2 P1 2.3600(9) . ?
Au P4 2.2914(10) . ?
Au P1 2.5807(10) . ?
P1 C19 1.810(4) . ?
P1 C13 1.812(4) . ?
P2 C31 1.797(4) . ?
P2 C25 1.809(4) . ?
P3 C43 1.808(4) . ?
P3 C37 1.810(4) . ?
P3 C49 1.819(4) . ?
P4 C55 1.806(4) . ?
P4 C61 1.808(4) . ?
P4 C67 1.821(4) . ?
F1 C2 1.352(4) . ?
F2 C3 1.355(5) . ?
F3 C4 1.342(4) . ?
F4 C5 1.351(5) . ?
F5 C6 1.353(4) . ?
F6 C8 1.343(4) . ?
F7 C9 1.349(5) . ?
F8 C10 1.343(5) . ?
F9 C11 1.349(4) . ?
F10 C12 1.336(4) . ?
C1 C2 1.379(5) . ?
C1 C6 1.379(5) . ?
C2 C3 1.378(5) . ?
C3 C4 1.378(6) . ?
C4 C5 1.355(6) . ?
C5 C6 1.383(5) . ?
C7 C8 1.384(5) . ?
C7 C12 1.385(5) . ?
C8 C9 1.375(6) . ?
C9 C10 1.367(6) . ?
C10 C11 1.371(6) . ?
C11 C12 1.380(5) . ?
C13 C18 1.390(5) . ?
C13 C14 1.393(5) . ?
C14 C15 1.372(6) . ?
C15 C16 1.375(6) . ?
C16 C17 1.381(6) . ?
C17 C18 1.383(6) . ?
C19 C20 1.378(5) . ?
C19 C24 1.397(5) . ?
C20 C21 1.395(6) . ?
C21 C22 1.376(6) . ?
C22 C23 1.379(6) . ?
C23 C24 1.390(5) . ?
C25 C26 1.383(6) . ?
C25 C30 1.391(5) . ?
C26 C27 1.379(6) . ?
C27 C28 1.382(7) . ?
C28 C29 1.371(7) . ?
C29 C30 1.386(6) . ?
C31 C32 1.385(5) . ?
C31 C36 1.395(5) . ?
C32 C33 1.377(6) . ?
C33 C34 1.380(6) . ?
C34 C35 1.371(6) . ?
C35 C36 1.384(6) . ?
C37 C42 1.389(5) . ?
C37 C38 1.396(5) . ?
C38 C39 1.385(6) . ?
C39 C40 1.381(6) . ?
C40 C41 1.375(6) . ?
C41 C42 1.388(6) . ?
C43 C48 1.394(5) . ?
C43 C44 1.397(5) . ?
C44 C45 1.385(5) . ?
C45 C46 1.386(6) . ?
C46 C47 1.393(6) . ?
C47 C48 1.384(5) . ?
C49 C50 1.395(5) . ?
C49 C54 1.396(5) . ?
C50 C51 1.381(5) . ?
C51 C52 1.392(6) . ?
C52 C53 1.364(6) . ?
C53 C54 1.392(5) . ?
C55 C56 1.379(5) . ?
C55 C60 1.390(5) . ?
C56 C57 1.386(6) . ?
C57 C58 1.371(6) . ?
C58 C59 1.371(6) . ?
C59 C60 1.370(6) . ?
C61 C66 1.388(6) . ?
C61 C62 1.394(6) . ?
C62 C63 1.394(6) . ?
C63 C64 1.368(7) . ?
C64 C65 1.384(7) . ?
C65 C66 1.384(7) . ?
C67 C72 1.375(6) . ?
C67 C68 1.399(6) . ?
C68 C69 1.381(6) . ?
C69 C70 1.379(7) . ?
C70 C71 1.370(8) . ?
C71 C72 1.405(6) . ?
Cl1 O2 1.421(3) . ?
Cl1 O3 1.428(3) . ?
Cl1 O1 1.437(4) . ?
Cl1 O4 1.438(3) . ?
C73 Cl2 1.668(5) . ?
C73 Cl3 1.775(5) . ?
C74 Cl5 1.735(5) . ?
C74 Cl4 1.746(5) . ?
C75 Cl6 1.690(13) 2_557 ?
C75 Cl6 1.753(3) . ?
Cl6 C75 1.690(13) 2_557 ?
