#------------------------------------------------------------------------------
#$Date: 2019-11-07 23:15:26 +0100 (jue 07 de nov de 2019) $
#$Revision: 224212 $
#$URL: svn://www.crystallography.net/cod/cif/7/70/00/7700092.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_7700092
loop_
_publ_author_name
'Hidalgo, Nereida'
'Bajo, Sonia'
'Moreno, Juan José'
'Navarro-Gilabert, Carlos'
'Mercado, Brandon Q.'
'Campos, Jesús'
_publ_section_title
;
 Reactivity of a gold(i)/platinum(0) frustrated Lewis pair with germanium
 and tin dihalides.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9127
_journal_page_last               9138
_journal_paper_doi               10.1039/c9dt00702d
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C180 H282 Au3 F12 N2 O8 P8 Pt2 S4'
_chemical_formula_weight         4187.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2019-05-21 deposited with the CCDC.    2019-05-23 downloaded from the CCDC.
;
_cell_angle_alpha                90.7780(10)
_cell_angle_beta                 97.949(2)
_cell_angle_gamma                112.8800(10)
_cell_formula_units_Z            1
_cell_length_a                   12.2275(4)
_cell_length_b                   14.0212(4)
_cell_length_c                   32.6312(9)
_cell_measurement_reflns_used    9242
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.40
_cell_measurement_theta_min      2.38
_cell_volume                     5090.8(3)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT A'
_computing_molecular_graphics    'Mercury CSD 3.9'
_computing_publication_material  'CIFTAB-2014/2 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω 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  0.0291
_diffrn_reflns_av_unetI/netI     0.0250
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            86632
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.024
_diffrn_reflns_theta_max         25.024
_diffrn_reflns_theta_min         1.658
_exptl_absorpt_coefficient_mu    3.686
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6163
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS, Bruker (2006). APEX 2. Version 2.1. Bruker Analytical
 X-ray Solutions, Madison, Wisconsin, USA. 
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_description       needle
_exptl_crystal_F_000             2125
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
The unit cell contains one molecule of triflimide to compensate
 the positive charge of the P-Au-P+ molecule, 
as well as two molecules of pentane which have been treated
 as a diffuse contribution to the overall scattering
without specific atom positions by SQUEEZE/PLATON.
;
_refine_diff_density_max         5.865
_refine_diff_density_min         -3.037
_refine_diff_density_rms         0.124
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1026
_refine_ls_number_reflns         17919
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0452
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0756P)²+14.5011P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1046
_refine_ls_wR_factor_ref         0.1136
_reflns_Friedel_coverage         0.000
_reflns_number_gt                15475
_reflns_number_total             17919
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9dt00702d2.cif
_cod_data_source_block           jcm0116a_a_sq
_cod_depositor_comments
'Adding full bibliography for 7700087--7700092.cif.'
_cod_database_code               7700092
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_platon_squeeze_void_probe_radius 1.20
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Au1 Au 0.91819(2) 0.69039(2) 0.81897(2) 0.02500(7) Uani 1 1 d . . .
Pt1 Pt 0.76501(2) 0.52947(2) 0.77381(2) 0.02713(7) Uani 1 1 d . . .
P1 P 1.09514(11) 0.81224(9) 0.85155(4) 0.0236(3) Uani 1 1 d . . .
P2 P 0.73552(16) 0.41303(11) 0.82574(5) 0.0413(4) Uani 1 1 d . . .
P3 P 0.78175(12) 0.61311(10) 0.71267(4) 0.0253(3) Uani 1 1 d . . .
C1 C 1.1226(4) 0.9141(4) 0.89334(15) 0.0238(10) Uani 1 1 d . . .
C2 C 1.2048(4) 0.9299(4) 0.93000(15) 0.0259(10) Uani 1 1 d . . .
C3 C 1.2336(5) 1.0176(4) 0.95680(16) 0.0362(13) Uani 1 1 d . . .
H3 H 1.2904 1.0285 0.9812 0.043 Uiso 1 1 calc R U .
C4 C 1.1830(6) 1.0888(5) 0.94918(17) 0.0400(13) Uani 1 1 d . . .
H4 H 1.2045 1.1481 0.9678 0.048 Uiso 1 1 calc R U .
C5 C 1.0999(5) 1.0717(4) 0.91374(17) 0.0347(12) Uani 1 1 d . . .
H5 H 1.0634 1.1199 0.9083 0.042 Uiso 1 1 calc R U .
C6 C 1.0677(4) 0.9861(4) 0.88562(15) 0.0267(10) Uani 1 1 d . . .
C7 C 1.2704(5) 0.8624(4) 0.94400(15) 0.0283(11) Uani 1 1 d . . .
C8 C 1.2164(5) 0.7774(4) 0.96741(17) 0.0370(13) Uani 1 1 d . . .
C9 C 1.2839(6) 0.7192(5) 0.9814(2) 0.0489(16) Uani 1 1 d . . .
H9 H 1.2492 0.6610 0.9969 0.059 Uiso 1 1 calc R U .
C10 C 1.3961(7) 0.7442(5) 0.9734(2) 0.0532(18) Uani 1 1 d . . .
H10 H 1.4393 0.7037 0.9835 0.064 Uiso 1 1 calc R U .
C11 C 1.4503(6) 0.8277(5) 0.95069(19) 0.0430(14) Uani 1 1 d . . .
H11 H 1.5294 0.8434 0.9451 0.052 Uiso 1 1 calc R U .
C12 C 1.3893(5) 0.8885(4) 0.93606(17) 0.0325(12) Uani 1 1 d . . .
C13 C 1.0901(6) 0.7489(5) 0.9774(2) 0.0490(16) Uani 1 1 d . . .
H13 H 1.0422 0.7669 0.9536 0.059 Uiso 1 1 calc R U .
C14 C 1.0259(8) 0.6327(6) 0.9830(2) 0.069(2) Uani 1 1 d . . .
H14A H 1.0627 0.6158 1.0090 0.103 Uiso 1 1 calc R U .
H14B H 1.0334 0.5920 0.9597 0.103 Uiso 1 1 calc R U .
H14C H 0.9407 0.6162 0.9839 0.103 Uiso 1 1 calc R U .
C15 C 1.0908(8) 0.8099(7) 1.0162(3) 0.079(3) Uani 1 1 d . . .
H15A H 1.1346 0.7914 1.0401 0.119 Uiso 1 1 calc R U .
H15B H 1.0080 0.7933 1.0207 0.119 Uiso 1 1 calc R U .
H15C H 1.1303 0.8844 1.0129 0.119 Uiso 1 1 calc R U .
C16 C 1.4500(5) 0.9817(4) 0.91107(17) 0.0344(12) Uani 1 1 d . . .
H16 H 1.3873 1.0061 0.8983 0.041 Uiso 1 1 calc R U .
C17 C 1.5053(6) 0.9526(5) 0.8761(2) 0.0491(15) Uani 1 1 d . . .
H17A H 1.5725 0.9350 0.8880 0.074 Uiso 1 1 calc R U .
H17B H 1.5345 1.0116 0.8590 0.074 Uiso 1 1 calc R U .
H17C H 1.4444 0.8928 0.8589 0.074 Uiso 1 1 calc R U .
C18 C 1.5448(7) 1.0699(5) 0.9397(2) 0.066(2) Uani 1 1 d . . .
H18A H 1.5073 1.0903 0.9610 0.099 Uiso 1 1 calc R U .
H18B H 1.5818 1.1294 0.9236 0.099 Uiso 1 1 calc R U .
H18C H 1.6065 1.0472 0.9530 0.099 Uiso 1 1 calc R U .
C19 C 0.9731(5) 0.9828(4) 0.84975(16) 0.0281(11) Uani 1 1 d . . .
C20 C 0.8498(5) 0.9233(4) 0.85257(16) 0.0306(11) Uani 1 1 d . . .
C21 C 0.7633(5) 0.9384(4) 0.82396(17) 0.0350(12) Uani 1 1 d . . .
H21 H 0.6807 0.8990 0.8250 0.042 Uiso 1 1 calc R U .
C22 C 0.7944(5) 1.0090(4) 0.79411(18) 0.0381(13) Uani 1 1 d . . .
H22 H 0.7335 1.0186 0.7753 0.046 Uiso 1 1 calc R U .
C23 C 0.9134(5) 1.0654(4) 0.79167(17) 0.0365(13) Uani 1 1 d . . .
H23 H 0.9338 1.1135 0.7709 0.044 Uiso 1 1 calc R U .
C24 C 1.0059(5) 1.0535(4) 0.81931(16) 0.0297(11) Uani 1 1 d . . .
C25 C 0.8120(5) 0.8504(5) 0.88692(18) 0.0378(13) Uani 1 1 d . . .
H25 H 0.8709 0.8169 0.8922 0.045 Uiso 1 1 calc R U .
C26 C 0.6883(6) 0.7641(5) 0.8752(2) 0.0468(15) Uani 1 1 d . . .
H26A H 0.6276 0.7939 0.8714 0.070 Uiso 1 1 calc R U .
H26B H 0.6722 0.7162 0.8973 0.070 Uiso 1 1 calc R U .
H26C H 0.6854 0.7263 0.8493 0.070 Uiso 1 1 calc R U .
C27 C 0.8174(6) 0.9088(6) 0.9276(2) 0.0536(17) Uani 1 1 d . . .
H27A H 0.7678 0.9494 0.9228 0.080 Uiso 1 1 calc R U .
H27B H 0.9008 0.9556 0.9379 0.080 Uiso 1 1 calc R U .
H27C H 0.7872 0.8589 0.9483 0.080 Uiso 1 1 calc R U .
C28 C 1.1353(5) 1.1215(4) 0.81592(18) 0.0387(13) Uani 1 1 d . . .
H28 H 1.1884 1.0946 0.8339 0.046 Uiso 1 1 calc R U .
C29 C 1.1620(6) 1.1186(6) 0.7712(2) 0.0523(16) Uani 1 1 d . . .
H29A H 1.1290 1.0464 0.7595 0.078 Uiso 1 1 calc R U .
H29B H 1.2491 1.1491 0.7715 0.078 Uiso 1 1 calc R U .
H29C H 1.1248 1.1583 0.7542 0.078 Uiso 1 1 calc R U .
C30 C 1.1682(7) 1.2346(5) 0.8312(2) 0.0561(18) Uani 1 1 d . . .
H30A H 1.1203 1.2640 0.8131 0.084 Uiso 1 1 calc R U .
H30B H 1.2538 1.2750 0.8307 0.084 Uiso 1 1 calc R U .
H30C H 1.1517 1.2372 0.8597 0.084 Uiso 1 1 calc R U .
C31 C 1.1788(5) 0.7321(5) 0.86635(19) 0.0423(15) Uani 1 1 d . . .
H31A H 1.1716 0.6856 0.8425 0.063 Uiso 1 1 calc R U .
H31B H 1.1462 0.6908 0.8891 0.063 Uiso 1 1 calc R U .
H31C H 1.2636 0.7767 0.8754 0.063 Uiso 1 1 calc R U .
C32 C 1.1780(5) 0.8878(4) 0.81298(17) 0.0388(13) Uani 1 1 d . . .
H32A H 1.2564 0.9380 0.8266 0.058 Uiso 1 1 calc R U .
H32B H 1.1326 0.9250 0.7985 0.058 Uiso 1 1 calc R U .
H32C H 1.1898 0.8414 0.7929 0.058 Uiso 1 1 calc R U .
C33 C 0.8713(8) 0.3785(6) 0.8390(2) 0.064(2) Uani 1 1 d . . .
C34 C 0.9249(12) 0.3795(9) 0.7985(3) 0.112(4) Uani 1 1 d . . .
H34A H 0.9966 0.3637 0.8044 0.168 Uiso 1 1 calc R U .
H34B H 0.9469 0.4483 0.7877 0.168 Uiso 1 1 calc R U .
H34C H 0.8651 0.3273 0.7779 0.168 Uiso 1 1 calc R U .
C35 C 0.8465(12) 0.2716(7) 0.8566(3) 0.100(4) Uani 1 1 d . . .
H35A H 0.9212 0.2601 0.8613 0.150 Uiso 1 1 calc R U .
H35B H 0.7867 0.2171 0.8367 0.150 Uiso 1 1 calc R U .
H35C H 0.8159 0.2699 0.8829 0.150 Uiso 1 1 calc R U .
C36 C 0.9667(7) 0.4613(7) 0.8700(3) 0.073(2) Uani 1 1 d . . .
H36A H 0.9376 0.4589 0.8967 0.109 Uiso 1 1 calc R U .
H36B H 0.9833 0.5299 0.8595 0.109 Uiso 1 1 calc R U .
H36C H 1.0405 0.4484 0.8739 0.109 Uiso 1 1 calc R U .
C37 C 0.6029(10) 0.2942(6) 0.7999(3) 0.102(4) Uani 1 1 d . . .
C38 C 0.6434(15) 0.2436(7) 0.7660(3) 0.153(7) Uani 1 1 d . . .
H38A H 0.5727 0.1973 0.7469 0.230 Uiso 1 1 calc R U .
H38B H 0.6873 0.2035 0.7789 0.230 Uiso 1 1 calc R U .
H38C H 0.6959 0.2977 0.7506 0.230 Uiso 1 1 calc R U .
C39 C 0.5037(9) 0.3289(9) 0.7788(3) 0.121(5) Uani 1 1 d . . .
H39A H 0.4466 0.2735 0.7587 0.182 Uiso 1 1 calc R U .
H39B H 0.5408 0.3918 0.7645 0.182 Uiso 1 1 calc R U .
H39C H 0.4613 0.3432 0.7999 0.182 Uiso 1 1 calc R U .
C40 C 0.5401(13) 0.2104(8) 0.8299(3) 0.160(7) Uani 1 1 d . . .
H40A H 0.5234 0.2442 0.8533 0.240 Uiso 1 1 calc R U .
H40B H 0.5932 0.1758 0.8402 0.240 Uiso 1 1 calc R U .
H40C H 0.4646 0.1591 0.8148 0.240 Uiso 1 1 calc R U .
C41 C 0.6952(6) 0.4514(5) 0.8760(2) 0.0489(16) Uani 1 1 d . . .
C42 C 0.5720(8) 0.4589(8) 0.8673(3) 0.086(3) Uani 1 1 d . . .
H42A H 0.5563 0.4871 0.8925 0.128 Uiso 1 1 calc R U .
H42B H 0.5093 0.3896 0.8591 0.128 Uiso 1 1 calc R U .
H42C H 0.5719 0.5046 0.8449 0.128 Uiso 1 1 calc R U .
C43 C 0.6946(8) 0.3779(6) 0.9113(2) 0.068(2) Uani 1 1 d . . .
H43A H 0.7752 0.3783 0.9188 0.102 Uiso 1 1 calc R U .
H43B H 0.6374 0.3072 0.9018 0.102 Uiso 1 1 calc R U .
H43C H 0.6708 0.4019 0.9357 0.102 Uiso 1 1 calc R U .
C44 C 0.7828(7) 0.5609(5) 0.8926(2) 0.0541(17) Uani 1 1 d . . .
H44A H 0.7567 0.5821 0.9170 0.081 Uiso 1 1 calc R U .
H44B H 0.7844 0.6093 0.8711 0.081 Uiso 1 1 calc R U .
H44C H 0.8635 0.5616 0.9004 0.081 Uiso 1 1 calc R U .
C45 C 0.9251(5) 0.6258(4) 0.69245(16) 0.0321(12) Uani 1 1 d . . .
C46 C 0.9516(6) 0.6906(5) 0.65457(18) 0.0406(13) Uani 1 1 d . . .
H46A H 0.9676 0.7629 0.6625 0.061 Uiso 1 1 calc R U .
H46B H 0.8821 0.6629 0.6324 0.061 Uiso 1 1 calc R U .
H46C H 1.0221 0.6870 0.6446 0.061 Uiso 1 1 calc R U .
C47 C 1.0324(5) 0.6738(5) 0.72764(19) 0.0423(14) Uani 1 1 d . . .
H47A H 1.0142 0.6362 0.7526 0.064 Uiso 1 1 calc R U .
H47B H 1.0476 0.7469 0.7336 0.064 Uiso 1 1 calc R U .
H47C H 1.1039 0.6688 0.7191 0.064 Uiso 1 1 calc R U .
C48 C 0.9207(6) 0.5166(5) 0.6810(2) 0.0468(15) Uani 1 1 d . . .
H48A H 0.9995 0.5228 0.6752 0.070 Uiso 1 1 calc R U .
H48B H 0.8602 0.4849 0.6564 0.070 Uiso 1 1 calc R U .
H48C H 0.8995 0.4730 0.7043 0.070 Uiso 1 1 calc R U .
C49 C 0.6474(5) 0.5201(4) 0.67472(17) 0.0353(12) Uani 1 1 d . . .
C50 C 0.6509(6) 0.5334(5) 0.62841(17) 0.0450(15) Uani 1 1 d . . .
H50A H 0.5765 0.4830 0.6123 0.068 Uiso 1 1 calc R U .
H50B H 0.7198 0.5219 0.6208 0.068 Uiso 1 1 calc R U .
H50C H 0.6587 0.6039 0.6225 0.068 Uiso 1 1 calc R U .
C51 C 0.6363(6) 0.4080(5) 0.6826(2) 0.0506(16) Uani 1 1 d . . .
H51A H 0.6460 0.4003 0.7125 0.076 Uiso 1 1 calc R U .
H51B H 0.6988 0.3946 0.6708 0.076 Uiso 1 1 calc R U .
H51C H 0.5570 0.3583 0.6695 0.076 Uiso 1 1 calc R U .
C52 C 0.5307(5) 0.5243(5) 0.6847(2) 0.0464(15) Uani 1 1 d . . .
H52A H 0.5261 0.5897 0.6763 0.070 Uiso 1 1 calc R U .
H52B H 0.5293 0.5201 0.7146 0.070 Uiso 1 1 calc R U .
H52C H 0.4620 0.4658 0.6696 0.070 Uiso 1 1 calc R U .
C53 C 0.7703(5) 0.7441(4) 0.71403(16) 0.0309(11) Uani 1 1 d . . .
C54 C 0.7295(6) 0.7769(5) 0.67127(17) 0.0408(14) Uani 1 1 d . . .
H54A H 0.6501 0.7253 0.6592 0.061 Uiso 1 1 calc R U .
H54B H 0.7875 0.7815 0.6527 0.061 Uiso 1 1 calc R U .
H54C H 0.7251 0.8448 0.6749 0.061 Uiso 1 1 calc R U .
C55 C 0.8910(5) 0.8319(4) 0.73260(17) 0.0370(13) Uani 1 1 d . . .
H55A H 0.9505 0.8396 0.7143 0.056 Uiso 1 1 calc R U .
H55B H 0.9193 0.8148 0.7600 0.056 Uiso 1 1 calc R U .
H55C H 0.8799 0.8972 0.7354 0.056 Uiso 1 1 calc R U .
C56 C 0.6802(6) 0.7406(5) 0.74311(19) 0.0423(14) Uani 1 1 d . . .
H56A H 0.6698 0.8065 0.7433 0.063 Uiso 1 1 calc R U .
H56B H 0.7108 0.7297 0.7713 0.063 Uiso 1 1 calc R U .
H56C H 0.6027 0.6836 0.7333 0.063 Uiso 1 1 calc R U .
Au2 Au 1.0000 1.0000 0.5000 0.03836(9) Uani 1 2 d S . P
P10 P 1.05831(14) 0.87618(12) 0.47061(5) 0.0388(3) Uani 1 1 d . . .
C100 C 0.9547(5) 0.7625(4) 0.43617(16) 0.0325(12) Uani 1 1 d . . .
C101 C 0.9934(5) 0.6927(4) 0.41696(16) 0.0350(12) Uani 1 1 d . . .
C102 C 0.9072(5) 0.5990(4) 0.39648(17) 0.0361(12) Uani 1 1 d . . .
H102 H 0.9332 0.5521 0.3836 0.043 Uiso 1 1 calc R U .
C103 C 0.7853(5) 0.5739(4) 0.39475(18) 0.0411(14) Uani 1 1 d . . .
H103 H 0.7285 0.5086 0.3824 0.049 Uiso 1 1 calc R U .
C104 C 0.7471(5) 0.6445(4) 0.41111(17) 0.0360(12) Uani 1 1 d . . .
H104 H 0.6635 0.6293 0.4085 0.043 Uiso 1 1 calc R U .
C105 C 0.8311(5) 0.7394(4) 0.43183(17) 0.0336(12) Uani 1 1 d . . .
C106 C 1.1215(5) 0.7120(4) 0.41227(18) 0.0369(13) Uani 1 1 d . . .
C107 C 1.1860(5) 0.6648(5) 0.43772(19) 0.0432(14) Uani 1 1 d . . .
C108 C 1.3053(6) 0.6856(6) 0.4321(2) 0.0562(18) Uani 1 1 d . . .
H108 H 1.3507 0.6552 0.4491 0.067 Uiso 1 1 calc R U .
C109 C 1.3565(6) 0.7491(6) 0.4025(2) 0.060(2) Uani 1 1 d . . .
H109 H 1.4380 0.7647 0.4000 0.072 Uiso 1 1 calc R U .
C110 C 1.2912(6) 0.7905(5) 0.3763(2) 0.0551(18) Uani 1 1 d . . .
H110 H 1.3276 0.8327 0.3555 0.066 Uiso 1 1 calc R U .
C111 C 1.1714(6) 0.7714(5) 0.37991(19) 0.0447(15) Uani 1 1 d . . .
C112 C 1.1290(6) 0.5847(5) 0.46783(19) 0.0451(14) Uani 1 1 d . . .
H112 H 1.0551 0.5934 0.4737 0.054 Uiso 1 1 calc R U .
C113 C 1.2103(7) 0.5970(7) 0.5094(2) 0.064(2) Uani 1 1 d . . .
H11A H 1.2786 0.5800 0.5051 0.096 Uiso 1 1 calc R U .
H11B H 1.1645 0.5501 0.5286 0.096 Uiso 1 1 calc R U .
H11C H 1.2399 0.6689 0.5212 0.096 Uiso 1 1 calc R U .
C114 C 1.0904(7) 0.4732(5) 0.4490(2) 0.0546(17) Uani 1 1 d . . .
H11D H 1.1604 0.4637 0.4414 0.082 Uiso 1 1 calc R U .
H11E H 1.0299 0.4607 0.4243 0.082 Uiso 1 1 calc R U .
H11F H 1.0561 0.4240 0.4695 0.082 Uiso 1 1 calc R U .
C115 C 1.0979(7) 0.8113(5) 0.3486(2) 0.0513(16) Uani 1 1 d . . .
H115 H 1.0313 0.8167 0.3619 0.062 Uiso 1 1 calc R U .
C116 C 1.0425(10) 0.7342(6) 0.3115(2) 0.081(3) Uani 1 1 d . . .
H11G H 1.1057 0.7332 0.2962 0.122 Uiso 1 1 calc R U .
H11H H 0.9853 0.7541 0.2933 0.122 Uiso 1 1 calc R U .
H11I H 1.0004 0.6649 0.3207 0.122 Uiso 1 1 calc R U .
C117 C 1.1684(10) 0.9176(6) 0.3332(3) 0.087(3) Uani 1 1 d . . .
H11J H 1.2100 0.9680 0.3571 0.130 Uiso 1 1 calc R U .
H11K H 1.1127 0.9408 0.3159 0.130 Uiso 1 1 calc R U .
H11L H 1.2274 0.9118 0.3169 0.130 Uiso 1 1 calc R U .
C118 C 0.7748(5) 0.8098(4) 0.44426(17) 0.0375(13) Uani 1 1 d . . .
H118 H 0.8511 0.8604 0.4608 0.045 Uiso 1 1 calc R U .
C119 C 0.7119(5) 0.7889(4) 0.47888(17) 0.0367(13) Uani 1 1 d . . .
C120 C 0.6367(6) 0.8397(5) 0.4847(2) 0.0458(15) Uani 1 1 d . . .
H120 H 0.5942 0.8255 0.5076 0.055 Uiso 1 1 calc R U .
C121 C 0.6232(6) 0.9106(5) 0.4574(2) 0.0478(15) Uani 1 1 d . . .
H121 H 0.5698 0.9431 0.4612 0.057 Uiso 1 1 calc R U .
C122 C 0.6881(5) 0.9338(5) 0.4246(2) 0.0437(14) Uani 1 1 d . . .
H122 H 0.6813 0.9850 0.4069 0.052 Uiso 1 1 calc R U .
C123 C 0.7615(5) 0.8850(4) 0.41716(18) 0.0407(14) Uani 1 1 d . . .
C124 C 0.7305(6) 0.7147(5) 0.50970(18) 0.0424(14) Uani 1 1 d . . .
H124 H 0.7901 0.6895 0.5005 0.051 Uiso 1 1 calc R U .
C125 C 0.6126(7) 0.6198(5) 0.5103(2) 0.0596(19) Uani 1 1 d . . .
H12A H 0.6271 0.5723 0.5301 0.089 Uiso 1 1 calc R U .
H12B H 0.5833 0.5840 0.4826 0.089 Uiso 1 1 calc R U .
H12C H 0.5524 0.6427 0.5188 0.089 Uiso 1 1 calc R U .
C126 C 0.7818(7) 0.7687(6) 0.5532(2) 0.0557(18) Uani 1 1 d . . .
H12D H 0.7214 0.7875 0.5641 0.083 Uiso 1 1 calc R U .
H12E H 0.8537 0.8316 0.5520 0.083 Uiso 1 1 calc R U .
H12F H 0.8030 0.7217 0.5716 0.083 Uiso 1 1 calc R U .
C127 C 0.8256(6) 0.9072(5) 0.3797(2) 0.0507(16) Uani 1 1 d . . .
H127 H 0.8902 0.8797 0.3842 0.061 Uiso 1 1 calc R U .
C128 C 0.7383(9) 0.8486(7) 0.3406(2) 0.073(2) Uani 1 1 d . . .
H12G H 0.7084 0.7738 0.3438 0.110 Uiso 1 1 calc R U .
H12H H 0.7802 0.8645 0.3165 0.110 Uiso 1 1 calc R U .
H12I H 0.6705 0.8702 0.3366 0.110 Uiso 1 1 calc R U .
C129 C 0.8858(8) 1.0233(6) 0.3740(3) 0.067(2) Uani 1 1 d . . .
H12J H 0.9346 1.0337 0.3517 0.101 Uiso 1 1 calc R U .
H12K H 0.9373 1.0596 0.3998 0.101 Uiso 1 1 calc R U .
H12L H 0.8240 1.0511 0.3666 0.101 Uiso 1 1 calc R U .
C130 C 1.1833(7) 0.9494(6) 0.4450(3) 0.078(3) Uani 1 1 d . . .
H13A H 1.2338 1.0140 0.4618 0.118 Uiso 1 1 calc R U .
H13B H 1.1532 0.9658 0.4177 0.118 Uiso 1 1 calc R U .
H13C H 1.2308 0.9083 0.4415 0.118 Uiso 1 1 calc R U .
C131 C 1.1181(8) 0.8194(6) 0.5125(2) 0.070(2) Uani 1 1 d . . .
H13D H 1.1540 0.7751 0.5013 0.106 Uiso 1 1 calc R U .
H13E H 1.0532 0.7775 0.5274 0.106 Uiso 1 1 calc R U .
H13F H 1.1797 0.8746 0.5317 0.106 Uiso 1 1 calc R U .
N1 N 0.3712(6) 0.8835(5) 0.65017(19) 0.0604(16) Uani 1 1 d . . .
O1 O 0.5649(4) 0.9172(5) 0.70040(17) 0.0687(14) Uani 1 1 d . . .
O2 O 0.4922(6) 1.0531(4) 0.68249(19) 0.0804(17) Uani 1 1 d . . .
O3 O 0.3982(6) 0.7129(4) 0.66032(19) 0.0794(16) Uani 1 1 d . . .
O4 O 0.2363(5) 0.7222(6) 0.6100(2) 0.099(2) Uani 1 1 d . . .
S1 S 0.46913(14) 0.94810(13) 0.68807(5) 0.0442(4) Uani 1 1 d . . .
S2 S 0.35403(17) 0.77317(16) 0.63249(6) 0.0595(5) Uani 1 1 d . . .
C150 C 0.3807(7) 0.9191(6) 0.7305(2) 0.0582(18) Uani 1 1 d . . .
C151 C 0.4507(7) 0.8039(8) 0.5934(2) 0.069(2) Uani 1 1 d . . .
F1 F 0.3407(5) 0.8218(4) 0.73732(17) 0.0895(16) Uani 1 1 d . . .
F2 F 0.4492(6) 0.9698(5) 0.76532(15) 0.105(2) Uani 1 1 d . . .
F3 F 0.2900(6) 0.9475(5) 0.72405(19) 0.113(2) Uani 1 1 d . . .
F4 F 0.5637(4) 0.8665(4) 0.60828(15) 0.0828(14) Uani 1 1 d . . .
F5 F 0.4552(5) 0.7145(5) 0.57819(18) 0.1027(19) Uani 1 1 d . . .
F6 F 0.4130(5) 0.8466(5) 0.56188(15) 0.0922(16) 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'
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'
Au Au -2.0133 8.8022 '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'
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
P1 Au1 Pt1 161.37(3) .
P3 Pt1 P2 167.59(5) .
P3 Pt1 Au1 94.14(3) .
P2 Pt1 Au1 97.08(4) .
C32 P1 C31 101.5(3) .
C32 P1 C1 101.8(2) .
C31 P1 C1 111.3(2) .
C32 P1 Au1 109.0(2) .
C31 P1 Au1 100.9(2) .
C1 P1 Au1 129.35(16) .
C37 P2 C33 109.2(5) .
C37 P2 C41 107.8(4) .
C33 P2 C41 108.5(3) .
C37 P2 Pt1 102.7(2) .
C33 P2 Pt1 110.7(2) .
C41 P2 Pt1 117.6(2) .
C53 P3 C45 109.4(2) .
C53 P3 C49 107.6(2) .
C45 P3 C49 108.4(2) .
C53 P3 Pt1 116.49(17) .
C45 P3 Pt1 111.07(17) .
C49 P3 Pt1 103.33(18) .
C2 C1 C6 118.7(4) .
C2 C1 P1 123.0(4) .
C6 C1 P1 117.9(4) .
C3 C2 C1 119.2(4) .
C3 C2 C7 114.0(4) .
C1 C2 C7 126.7(4) .
C4 C3 C2 122.5(5) .
C4 C3 H3 118.8 .
C2 C3 H3 118.8 .
C3 C4 C5 118.2(5) .
C3 C4 H4 120.9 .
C5 C4 H4 120.9 .
C4 C5 C6 122.2(5) .
C4 C5 H5 118.9 .
C6 C5 H5 118.9 .
C5 C6 C1 119.2(4) .
C5 C6 C19 112.5(4) .
C1 C6 C19 128.3(4) .
C8 C7 C12 120.4(5) .
C8 C7 C2 119.8(5) .
C12 C7 C2 119.7(4) .
C9 C8 C7 117.6(6) .
C9 C8 C13 120.7(5) .
C7 C8 C13 121.7(5) .
C10 C9 C8 121.5(6) .
C10 C9 H9 119.3 .
C8 C9 H9 119.3 .
C9 C10 C11 121.5(6) .
C9 C10 H10 119.3 .
C11 C10 H10 119.3 .
C10 C11 C12 120.1(6) .
C10 C11 H11 120.0 .
C12 C11 H11 120.0 .
C11 C12 C7 119.0(5) .
C11 C12 C16 120.0(5) .
C7 C12 C16 121.0(4) .
C15 C13 C8 111.5(6) .
C15 C13 C14 108.5(6) .
C8 C13 C14 112.8(6) .
C15 C13 H13 108.0 .
C8 C13 H13 108.0 .
C14 C13 H13 108.0 .
C13 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C13 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C13 C15 H15A 109.5 .
C13 C15 H15B 109.5 .
H15A C15 H15B 109.5 .
C13 C15 H15C 109.5 .
H15A C15 H15C 109.5 .
H15B C15 H15C 109.5 .
C18 C16 C17 110.4(6) .
C18 C16 C12 110.1(5) .
C17 C16 C12 112.1(5) .
C18 C16 H16 108.0 .
C17 C16 H16 108.0 .
C12 C16 H16 108.0 .
C16 C17 H17A 109.5 .
C16 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C16 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C16 C18 H18A 109.5 .
C16 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C16 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C24 C19 C20 121.3(5) .
C24 C19 C6 119.0(5) .
C20 C19 C6 118.5(5) .
C21 C20 C19 117.6(5) .
C21 C20 C25 120.2(5) .
C19 C20 C25 122.1(5) .
C22 C21 C20 121.8(5) .
C22 C21 H21 119.1 .
C20 C21 H21 119.1 .
C23 C22 C21 120.0(5) .
C23 C22 H22 120.0 .
C21 C22 H22 120.0 .
C22 C23 C24 121.4(5) .
C22 C23 H23 119.3 .
C24 C23 H23 119.3 .
C19 C24 C23 118.0(5) .
C19 C24 C28 123.4(5) .
C23 C24 C28 118.5(5) .
C26 C25 C20 113.2(5) .
C26 C25 C27 109.6(5) .
C20 C25 C27 112.0(5) .
C26 C25 H25 107.2 .
C20 C25 H25 107.2 .
C27 C25 H25 107.2 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
C25 C27 H27A 109.5 .
C25 C27 H27B 109.5 .
H27A C27 H27B 109.5 .
C25 C27 H27C 109.5 .
H27A C27 H27C 109.5 .
H27B C27 H27C 109.5 .
C24 C28 C30 111.8(5) .
C24 C28 C29 112.3(5) .
C30 C28 C29 108.9(5) .
C24 C28 H28 107.9 .
C30 C28 H28 107.9 .
C29 C28 H28 107.9 .
C28 C29 H29A 109.5 .
C28 C29 H29B 109.5 .
H29A C29 H29B 109.5 .
C28 C29 H29C 109.5 .
H29A C29 H29C 109.5 .
H29B C29 H29C 109.5 .
C28 C30 H30A 109.5 .
C28 C30 H30B 109.5 .
H30A C30 H30B 109.5 .
C28 C30 H30C 109.5 .
H30A C30 H30C 109.5 .
H30B C30 H30C 109.5 .
P1 C31 H31A 109.5 .
P1 C31 H31B 109.5 .
H31A C31 H31B 109.5 .
P1 C31 H31C 109.5 .
H31A C31 H31C 109.5 .
H31B C31 H31C 109.5 .
P1 C32 H32A 109.5 .
P1 C32 H32B 109.5 .
H32A C32 H32B 109.5 .
P1 C32 H32C 109.5 .
H32A C32 H32C 109.5 .
H32B C32 H32C 109.5 .
C36 C33 C35 108.2(7) .
C36 C33 C34 107.6(9) .
C35 C33 C34 107.7(7) .
C36 C33 P2 109.8(5) .
C35 C33 P2 115.9(7) .
C34 C33 P2 107.3(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 .
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 .
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 .
C38 C37 C39 108.2(8) .
C38 C37 C40 109.5(9) .
C39 C37 C40 105.4(10) .
C38 C37 P2 109.2(9) .
C39 C37 P2 108.8(6) .
C40 C37 P2 115.4(6) .
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 .
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 .
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 .
C44 C41 C42 104.6(7) .
C44 C41 C43 107.6(6) .
C42 C41 C43 109.3(6) .
C44 C41 P2 110.4(4) .
C42 C41 P2 109.9(5) .
C43 C41 P2 114.7(5) .
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 .
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 .
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 .
C47 C45 C46 108.7(5) .
C47 C45 C48 105.3(5) .
C46 C45 C48 108.3(5) .
C47 C45 P3 109.1(4) .
C46 C45 P3 115.1(4) .
C48 C45 P3 109.8(4) .
C45 C46 H46A 109.5 .
C45 C46 H46B 109.5 .
H46A C46 H46B 109.5 .
C45 C46 H46C 109.5 .
H46A C46 H46C 109.5 .
H46B C46 H46C 109.5 .
C45 C47 H47A 109.5 .
C45 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
C45 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
C45 C48 H48A 109.5 .
C45 C48 H48B 109.5 .
H48A C48 H48B 109.5 .
C45 C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
C52 C49 C50 108.4(5) .
C52 C49 C51 105.1(5) .
C50 C49 C51 107.5(5) .
C52 C49 P3 110.3(4) .
C50 C49 P3 117.2(4) .
C51 C49 P3 107.5(4) .
C49 C50 H50A 109.5 .
C49 C50 H50B 109.5 .
H50A C50 H50B 109.5 .
C49 C50 H50C 109.5 .
H50A C50 H50C 109.5 .
H50B C50 H50C 109.5 .
C49 C51 H51A 109.5 .
C49 C51 H51B 109.5 .
H51A C51 H51B 109.5 .
C49 C51 H51C 109.5 .
H51A C51 H51C 109.5 .
H51B C51 H51C 109.5 .
C49 C52 H52A 109.5 .
C49 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
C49 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
C56 C53 C55 106.4(5) .
C56 C53 C54 108.6(5) .
C55 C53 C54 106.8(4) .
C56 C53 P3 107.8(4) .
C55 C53 P3 111.7(4) .
C54 C53 P3 115.0(4) .
C53 C54 H54A 109.5 .
C53 C54 H54B 109.5 .
H54A C54 H54B 109.5 .
C53 C54 H54C 109.5 .
H54A C54 H54C 109.5 .
H54B C54 H54C 109.5 .
C53 C55 H55A 109.5 .
C53 C55 H55B 109.5 .
H55A C55 H55B 109.5 .
C53 C55 H55C 109.5 .
H55A C55 H55C 109.5 .
H55B C55 H55C 109.5 .
C53 C56 H56A 109.5 .
C53 C56 H56B 109.5 .
H56A C56 H56B 109.5 .
C53 C56 H56C 109.5 .
H56A C56 H56C 109.5 .
H56B C56 H56C 109.5 .
P10 Au2 P10 180.0 2_776
C130 P10 C131 106.0(5) .
C130 P10 C100 109.2(3) .
C131 P10 C100 103.3(3) .
C130 P10 Au2 105.5(3) .
C131 P10 Au2 107.7(3) .
C100 P10 Au2 123.95(19) .
C105 C100 C101 118.7(5) .
C105 C100 P10 118.3(4) .
C101 C100 P10 122.8(4) .
C102 C101 C100 119.3(5) .
C102 C101 C106 114.2(5) .
C100 C101 C106 126.2(5) .
C103 C102 C101 121.4(5) .
C103 C102 H102 119.3 .
C101 C102 H102 119.3 .
C104 C103 C102 119.5(5) .
C104 C103 H103 120.3 .
C102 C103 H103 120.3 .
C103 C104 C105 120.6(5) .
C103 C104 H104 119.7 .
C105 C104 H104 119.7 .
C100 C105 C104 120.2(5) .
C100 C105 C118 126.2(5) .
C104 C105 C118 113.4(5) .
C111 C106 C107 120.8(5) .
C111 C106 C101 118.6(5) .
C107 C106 C101 120.5(5) .
C108 C107 C106 118.2(6) .
C108 C107 C112 118.6(6) .
C106 C107 C112 122.9(5) .
C109 C108 C107 120.8(7) .
C109 C108 H108 119.6 .
C107 C108 H108 119.6 .
C108 C109 C110 120.8(6) .
C108 C109 H109 119.6 .
C110 C109 H109 119.6 .
C109 C110 C111 121.1(6) .
C109 C110 H110 119.4 .
C111 C110 H110 119.4 .
C110 C111 C106 118.1(6) .
C110 C111 C115 120.2(6) .
C106 C111 C115 121.7(6) .
C107 C112 C113 113.8(6) .
C107 C112 C114 111.8(5) .
C113 C112 C114 108.2(6) .
C107 C112 H112 107.6 .
C113 C112 H112 107.6 .
C114 C112 H112 107.6 .
C112 C113 H11A 109.5 .
C112 C113 H11B 109.5 .
H11A C113 H11B 109.5 .
C112 C113 H11C 109.5 .
H11A C113 H11C 109.5 .
H11B C113 H11C 109.5 .
C112 C114 H11D 109.5 .
C112 C114 H11E 109.5 .
H11D C114 H11E 109.5 .
C112 C114 H11F 109.5 .
H11D C114 H11F 109.5 .
H11E C114 H11F 109.5 .
C116 C115 C111 109.3(6) .
C116 C115 C117 108.1(6) .
C111 C115 C117 115.0(7) .
C116 C115 H115 108.1 .
C111 C115 H115 108.1 .
C117 C115 H115 108.1 .
C115 C116 H11G 109.5 .
C115 C116 H11H 109.5 .
H11G C116 H11H 109.5 .
C115 C116 H11I 109.5 .
H11G C116 H11I 109.5 .
H11H C116 H11I 109.5 .
C115 C117 H11J 109.5 .
C115 C117 H11K 109.5 .
H11J C117 H11K 109.5 .
C115 C117 H11L 109.5 .
H11J C117 H11L 109.5 .
H11K C117 H11L 109.5 .
C119 C118 C123 118.7(5) .
C119 C118 C105 119.8(5) .
C123 C118 C105 120.3(5) .
C119 C118 H118 93.8 .
C123 C118 H118 93.8 .
C105 C118 H118 93.8 .
C120 C119 C118 119.3(5) .
C120 C119 C124 120.8(5) .
C118 C119 C124 119.8(5) .
C121 C120 C119 120.9(6) .
C121 C120 H120 119.6 .
C119 C120 H120 119.6 .
C120 C121 C122 119.7(6) .
C120 C121 H121 120.2 .
C122 C121 H121 120.2 .
C123 C122 C121 121.7(6) .
C123 C122 H122 119.1 .
C121 C122 H122 119.1 .
C122 C123 C118 119.6(6) .
C122 C123 C127 120.6(5) .
C118 C123 C127 119.7(6) .
C119 C124 C126 111.4(5) .
C119 C124 C125 110.8(5) .
C126 C124 C125 110.5(5) .
C119 C124 H124 108.0 .
C126 C124 H124 108.0 .
C125 C124 H124 108.0 .
C124 C125 H12A 109.5 .
C124 C125 H12B 109.5 .
H12A C125 H12B 109.5 .
C124 C125 H12C 109.5 .
H12A C125 H12C 109.5 .
H12B C125 H12C 109.5 .
C124 C126 H12D 109.5 .
C124 C126 H12E 109.5 .
H12D C126 H12E 109.5 .
C124 C126 H12F 109.5 .
H12D C126 H12F 109.5 .
H12E C126 H12F 109.5 .
C123 C127 C129 113.0(6) .
C123 C127 C128 110.0(6) .
C129 C127 C128 111.0(6) .
C123 C127 H127 107.5 .
C129 C127 H127 107.5 .
C128 C127 H127 107.5 .
C127 C128 H12G 109.5 .
C127 C128 H12H 109.5 .
H12G C128 H12H 109.5 .
C127 C128 H12I 109.5 .
H12G C128 H12I 109.5 .
H12H C128 H12I 109.5 .
C127 C129 H12J 109.5 .
C127 C129 H12K 109.5 .
H12J C129 H12K 109.5 .
C127 C129 H12L 109.5 .
H12J C129 H12L 109.5 .
H12K C129 H12L 109.5 .
P10 C130 H13A 109.5 .
P10 C130 H13B 109.5 .
H13A C130 H13B 109.5 .
P10 C130 H13C 109.5 .
H13A C130 H13C 109.5 .
H13B C130 H13C 109.5 .
P10 C131 H13D 109.5 .
P10 C131 H13E 109.5 .
H13D C131 H13E 109.5 .
P10 C131 H13F 109.5 .
H13D C131 H13F 109.5 .
H13E C131 H13F 109.5 .
S2 N1 S1 124.6(4) .
O2 S1 O1 120.3(4) .
O2 S1 N1 106.2(4) .
O1 S1 N1 117.6(3) .
O2 S1 C150 103.5(3) .
O1 S1 C150 105.4(4) .
N1 S1 C150 101.3(4) .
O4 S2 O3 117.0(5) .
O4 S2 N1 109.7(4) .
O3 S2 N1 116.5(3) .
O4 S2 C151 104.7(4) .
O3 S2 C151 104.7(4) .
N1 S2 C151 102.3(4) .
F1 C150 F3 108.8(7) .
F1 C150 F2 106.2(7) .
F3 C150 F2 107.3(7) .
F1 C150 S1 112.3(5) .
F3 C150 S1 112.4(5) .
F2 C150 S1 109.6(5) .
F6 C151 F4 107.9(8) .
F6 C151 F5 107.5(7) .
F4 C151 F5 106.2(6) .
F6 C151 S2 113.1(5) .
F4 C151 S2 112.9(5) .
F5 C151 S2 108.9(7) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 P1 2.2738(13) .
Au1 Pt1 2.5751(3) .
Pt1 P3 2.3212(13) .
Pt1 P2 2.3352(14) .
P1 C32 1.813(6) .
P1 C31 1.821(5) .
P1 C1 1.860(5) .
P2 C37 1.897(8) .
P2 C33 1.900(8) .
P2 C41 1.904(7) .
P3 C53 1.896(5) .
P3 C45 1.903(5) .
P3 C49 1.913(6) .
C1 C2 1.406(7) .
C1 C6 1.420(7) .
C2 C3 1.396(7) .
C2 C7 1.500(7) .
C3 C4 1.373(8) .
C3 H3 0.9500 .
C4 C5 1.380(8) .
C4 H4 0.9500 .
C5 C6 1.393(7) .
C5 H5 0.9500 .
C6 C19 1.514(7) .
C7 C8 1.411(7) .
C7 C12 1.417(8) .
C8 C9 1.409(8) .
C8 C13 1.520(9) .
C9 C10 1.343(10) .
C9 H9 0.9500 .
C10 C11 1.384(9) .
C10 H10 0.9500 .
C11 C12 1.384(7) .
C11 H11 0.9500 .
C12 C16 1.538(8) .
C13 C15 1.516(10) .
C13 C14 1.536(9) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C18 1.517(9) .
C16 C17 1.530(8) .
C16 H16 1.0000 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.399(7) .
C19 C20 1.428(8) .
C20 C21 1.393(7) .
C20 C25 1.524(8) .
C21 C22 1.382(8) .
C21 H21 0.9500 .
C22 C23 1.374(8) .
C22 H22 0.9500 .
C23 C24 1.411(7) .
C23 H23 0.9500 .
C24 C28 1.517(8) .
C25 C26 1.517(9) .
C25 C27 1.531(8) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C30 1.535(9) .
C28 C29 1.542(9) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
C31 H31A 0.9800 .
C31 H31B 0.9800 .
C31 H31C 0.9800 .
C32 H32A 0.9800 .
C32 H32B 0.9800 .
C32 H32C 0.9800 .
C33 C36 1.523(13) .
C33 C35 1.544(10) .
C33 C34 1.553(11) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C36 H36C 0.9800 .
C37 C38 1.542(18) .
C37 C39 1.555(17) .
C37 C40 1.569(11) .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
C38 H38C 0.9800 .
C39 H39A 0.9800 .
C39 H39B 0.9800 .
C39 H39C 0.9800 .
C40 H40A 0.9800 .
C40 H40B 0.9800 .
C40 H40C 0.9800 .
C41 C44 1.528(10) .
C41 C42 1.538(11) .
C41 C43 1.557(8) .
C42 H42A 0.9800 .
C42 H42B 0.9800 .
C42 H42C 0.9800 .
C43 H43A 0.9800 .
C43 H43B 0.9800 .
C43 H43C 0.9800 .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
C45 C47 1.539(8) .
C45 C46 1.540(8) .
C45 C48 1.549(8) .
C46 H46A 0.9800 .
C46 H46B 0.9800 .
C46 H46C 0.9800 .
C47 H47A 0.9800 .
C47 H47B 0.9800 .
C47 H47C 0.9800 .
C48 H48A 0.9800 .
C48 H48B 0.9800 .
C48 H48C 0.9800 .
C49 C52 1.529(9) .
C49 C50 1.530(8) .
C49 C51 1.553(8) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50 H50C 0.9800 .
C51 H51A 0.9800 .
C51 H51B 0.9800 .
C51 H51C 0.9800 .
C52 H52A 0.9800 .
C52 H52B 0.9800 .
C52 H52C 0.9800 .
C53 C56 1.537(8) .
C53 C55 1.543(8) .
C53 C54 1.553(7) .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 H55A 0.9800 .
C55 H55B 0.9800 .
C55 H55C 0.9800 .
C56 H56A 0.9800 .
C56 H56B 0.9800 .
C56 H56C 0.9800 .
Au2 P10 2.3554(15) 2_776
Au2 P10 2.3555(15) .
P10 C130 1.802(8) .
P10 C131 1.802(7) .
P10 C100 1.843(6) .
C100 C105 1.403(8) .
C100 C101 1.414(8) .
C101 C102 1.410(8) .
C101 C106 1.512(8) .
C102 C103 1.384(8) .
C102 H102 0.9500 .
C103 C104 1.378(8) .
C103 H103 0.9500 .
C104 C105 1.415(8) .
C104 H104 0.9500 .
C105 C118 1.486(8) .
C106 C111 1.410(8) .
C106 C107 1.411(9) .
C107 C108 1.411(9) .
C107 C112 1.524(9) .
C108 C109 1.370(11) .
C108 H108 0.9500 .
C109 C110 1.374(11) .
C109 H109 0.9500 .
C110 C111 1.404(9) .
C110 H110 0.9500 .
C111 C115 1.523(10) .
C112 C113 1.532(9) .
C112 C114 1.538(9) .
C112 H112 1.0000 .
C113 H11A 0.9800 .
C113 H11B 0.9800 .
C113 H11C 0.9800 .
C114 H11D 0.9800 .
C114 H11E 0.9800 .
C114 H11F 0.9800 .
C115 C116 1.505(10) .
C115 C117 1.535(9) .
C115 H115 1.0000 .
C116 H11G 0.9800 .
C116 H11H 0.9800 .
C116 H11I 0.9800 .
C117 H11J 0.9800 .
C117 H11K 0.9800 .
C117 H11L 0.9800 .
C118 C119 1.424(8) .
C118 C123 1.427(8) .
C118 H118 1.0000 .
C119 C120 1.394(9) .
C119 C124 1.515(8) .
C120 C121 1.384(9) .
C120 H120 0.9500 .
C121 C122 1.387(9) .
C121 H121 0.9500 .
C122 C123 1.367(9) .
C122 H122 0.9500 .
C123 C127 1.512(9) .
C124 C126 1.530(9) .
C124 C125 1.538(9) .
C124 H124 1.0000 .
C125 H12A 0.9800 .
C125 H12B 0.9800 .
C125 H12C 0.9800 .
C126 H12D 0.9800 .
C126 H12E 0.9800 .
C126 H12F 0.9800 .
C127 C129 1.531(9) .
C127 C128 1.535(11) .
C127 H127 1.0000 .
C128 H12G 0.9800 .
C128 H12H 0.9800 .
C128 H12I 0.9800 .
C129 H12J 0.9800 .
C129 H12K 0.9800 .
C129 H12L 0.9800 .
C130 H13A 0.9800 .
C130 H13B 0.9800 .
C130 H13C 0.9800 .
C131 H13D 0.9800 .
C131 H13E 0.9800 .
C131 H13F 0.9800 .
N1 S2 1.568(7) .
N1 S1 1.581(6) .
O1 S1 1.410(5) .
O2 S1 1.407(6) .
O3 S2 1.438(6) .
O4 S2 1.419(6) .
S1 C150 1.827(7) .
S2 C151 1.802(9) .
C150 F1 1.292(8) .
C150 F3 1.310(9) .
C150 F2 1.323(9) .
C151 F6 1.315(9) .
C151 F4 1.332(9) .
C151 F5 1.365(10) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.500 1.000 672 235 ' '
