#------------------------------------------------------------------------------
#$Date: 2019-11-26 00:25:36 +0200 (Tue, 26 Nov 2019) $
#$Revision: 242162 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/21/4132119.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_4132119
loop_
_publ_author_name
'Walters, Daniel T.'
'Aghakhanpour, Reza Babadi'
'Powers, Xian B.'
'Ghiassi, Kamran B.'
'Olmstead, Marilyn M.'
'Balch, Alan L.'
_publ_section_title
;
 Utilization of a Nonemissive Triphosphine Ligand to Construct a
 Luminescent Gold(I)-Box That Undergoes Mechanochromic Collapse into a
 Helical Complex.
;
_journal_issue                   24
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7533
_journal_page_last               7542
_journal_paper_doi               10.1021/jacs.8b01666
_journal_volume                  140
_journal_year                    2018
_chemical_formula_moiety         'C136 H132 Au6 P12, 7(C7 H8), 5(F6 Sb), Cl'
_chemical_formula_sum            'C185 H188 Au6 Cl F30 P12 Sb5'
_chemical_formula_weight         5178.98
_chemical_name_common            '[Au6(triphos)4](SbF6)5Cl.(toluene)7'
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 92.3220(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.3414(19)
_cell_length_b                   33.4913(16)
_cell_length_c                   16.0576(8)
_cell_measurement_reflns_used    19568
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      26.335
_cell_measurement_theta_min      2.282
_cell_volume                     18990.6(17)
_computing_cell_refinement       'SAINT (Bruker, 2016)'
_computing_data_collection       'Apex2 (Bruker, 2016)'
_computing_data_reduction        'SAINT (Bruker, 2016)'
_computing_publication_material  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXS (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker ApexII'
_diffrn_measurement_method       ω
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0541
_diffrn_reflns_av_unetI/netI     0.0399
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            84013
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.360
_diffrn_reflns_theta_min         1.501
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    5.508
_exptl_absorpt_correction_T_max  0.4288
_exptl_absorpt_correction_T_min  0.2768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2014)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.811
_exptl_crystal_description       needle
_exptl_crystal_F_000             9976
_exptl_crystal_size_max          0.392
_exptl_crystal_size_mid          0.098
_exptl_crystal_size_min          0.084
_refine_diff_density_max         2.812
_refine_diff_density_min         -1.629
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     960
_refine_ls_number_reflns         17376
_refine_ls_number_restraints     43
_refine_ls_restrained_S_all      1.082
_refine_ls_R_factor_all          0.0545
_refine_ls_R_factor_gt           0.0387
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0299P)²+306.0387P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0922
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14326
_reflns_number_total             17376
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja8b01666_si_002.cif
_cod_data_source_block           dw17
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4132119
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_min   0.221
_shelx_estimated_absorpt_t_max   0.655
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.64841(2) 0.36330(2) 0.59197(2) 0.01931(7) Uani 1 1 d . . . . .
Au2 Au 0.70923(2) 0.25307(2) 0.29868(2) 0.01741(7) Uani 1 1 d . . . . .
Au3 Au 0.86264(2) 0.34623(2) 0.40961(2) 0.01601(7) Uani 1 1 d . . . . .
Cl1 Cl 0.750000 0.250000 0.500000 0.0293(6) Uani 1 2 d S . P . .
Sb1 Sb 0.750000 0.250000 0.000000 0.02396(16) Uani 1 2 d S . P . .
Sb2 Sb 0.59559(2) 0.26340(2) 0.18234(3) 0.02032(11) Uani 1 1 d . . . . .
Sb3 Sb 0.77000(2) 0.44251(2) 0.49084(3) 0.02154(11) Uani 1 1 d . . . . .
F1 F 0.75290(16) 0.23920(18) 0.1143(3) 0.0514(14) Uani 1 1 d . . . . .
F2 F 0.73493(15) 0.19773(16) -0.0242(3) 0.0489(13) Uani 1 1 d . . . . .
F3 F 0.69912(13) 0.26404(17) 0.0071(3) 0.0462(13) Uani 1 1 d . . . . .
F4 F 0.64373(13) 0.26090(14) 0.1388(3) 0.0350(11) Uani 1 1 d . . . . .
F5 F 0.61650(12) 0.25933(13) 0.2915(2) 0.0276(10) Uani 1 1 d . . . . .
F6 F 0.59930(13) 0.31932(13) 0.1897(3) 0.0337(11) Uani 1 1 d . . . . .
F7 F 0.57452(13) 0.26779(14) 0.0735(3) 0.0363(11) Uani 1 1 d . . . . .
F8 F 0.59179(13) 0.20730(12) 0.1778(3) 0.0314(10) Uani 1 1 d . . . . .
F9 F 0.54708(12) 0.26592(14) 0.2254(3) 0.0318(10) Uani 1 1 d . . . . .
F10 F 0.73644(13) 0.48258(13) 0.5234(3) 0.0349(11) Uani 1 1 d . . . . .
F11 F 0.74567(13) 0.43922(12) 0.3850(2) 0.0300(10) Uani 1 1 d . . . . .
F12 F 0.80270(13) 0.48192(13) 0.4534(3) 0.0355(11) Uani 1 1 d . . . . .
F13 F 0.79388(13) 0.44265(13) 0.5965(2) 0.0325(11) Uani 1 1 d . . . . .
F14 F 0.73657(13) 0.40324(13) 0.5276(3) 0.0310(10) Uani 1 1 d . . . . .
F15 F 0.80330(13) 0.40230(13) 0.4593(3) 0.0314(10) Uani 1 1 d . . . . .
P1 P 0.62295(5) 0.36893(6) 0.45789(11) 0.0211(4) Uani 1 1 d . . . . .
P2 P 0.71572(5) 0.32121(5) 0.31116(10) 0.0172(4) Uani 1 1 d . . . . .
P3 P 0.83659(5) 0.34337(5) 0.27569(10) 0.0162(4) Uani 1 1 d . . . . .
P4 P 0.88742(5) 0.35147(5) 0.54437(10) 0.0169(4) Uani 1 1 d . . . . .
P5 P 0.79001(5) 0.31538(5) 0.69113(10) 0.0173(4) Uani 1 1 d . . . . .
P6 P 0.67513(5) 0.35999(6) 0.72532(11) 0.0206(4) Uani 1 1 d . . . . .
C1 C 0.5735(2) 0.3558(2) 0.4495(5) 0.0287(17) Uani 1 1 d . . . . .
C2 C 0.5503(3) 0.3674(3) 0.5104(6) 0.054(3) Uani 1 1 d . . . . .
H2 H 0.560174 0.382475 0.556338 0.064 Uiso 1 1 calc R U . . .
C3 C 0.5122(3) 0.3573(4) 0.5061(7) 0.080(5) Uani 1 1 d . . . . .
H3 H 0.496289 0.364991 0.549632 0.096 Uiso 1 1 calc R U . . .
C4 C 0.4973(3) 0.3360(4) 0.4383(7) 0.071(4) Uani 1 1 d . . . . .
H4 H 0.471055 0.329927 0.434401 0.085 Uiso 1 1 calc R U . . .
C5 C 0.5205(3) 0.3236(3) 0.3770(6) 0.047(2) Uani 1 1 d . . . . .
H5 H 0.510532 0.307965 0.331835 0.056 Uiso 1 1 calc R U . . .
C6 C 0.5582(2) 0.3340(3) 0.3810(5) 0.0319(19) Uani 1 1 d . . . . .
H6 H 0.574089 0.326485 0.337303 0.038 Uiso 1 1 calc R U . . .
C7 C 0.6267(2) 0.4188(2) 0.4157(4) 0.0258(17) Uani 1 1 d . . . . .
C8 C 0.6064(3) 0.4291(3) 0.3425(5) 0.044(2) Uani 1 1 d . . . . .
H8 H 0.589231 0.410673 0.316791 0.053 Uiso 1 1 calc R U . . .
C9 C 0.6117(3) 0.4669(3) 0.3073(6) 0.052(3) Uani 1 1 d . . . . .
H9 H 0.597814 0.474020 0.257577 0.062 Uiso 1 1 calc R U . . .
C10 C 0.6361(3) 0.4934(3) 0.3432(6) 0.047(2) Uani 1 1 d . . . . .
H10 H 0.639455 0.518866 0.318527 0.057 Uiso 1 1 calc R U . . .
C11 C 0.6564(3) 0.4835(3) 0.4159(5) 0.040(2) Uani 1 1 d . . . . .
H11 H 0.673489 0.502120 0.441421 0.048 Uiso 1 1 calc R U . . .
C12 C 0.6517(2) 0.4464(2) 0.4509(5) 0.0320(19) Uani 1 1 d . . . . .
H12 H 0.665855 0.439692 0.500444 0.038 Uiso 1 1 calc R U . . .
C13 C 0.64755(19) 0.3384(2) 0.3841(4) 0.0214(15) Uani 1 1 d . . . . .
H13A H 0.639811 0.310201 0.390074 0.026 Uiso 1 1 calc R U . . .
H13B H 0.640409 0.347104 0.326636 0.026 Uiso 1 1 calc R U . . .
C14 C 0.69066(19) 0.3419(2) 0.3986(4) 0.0209(15) Uani 1 1 d . . . . .
H14A H 0.698472 0.327430 0.450273 0.025 Uiso 1 1 calc R U . . .
H14B H 0.697648 0.370317 0.406085 0.025 Uiso 1 1 calc R U . . .
C15 C 0.70386(19) 0.3534(2) 0.2232(4) 0.0183(15) Uani 1 1 d . . . . .
C16 C 0.7001(2) 0.3943(2) 0.2329(5) 0.0302(18) Uani 1 1 d . . . . .
H16 H 0.701454 0.405646 0.287081 0.036 Uiso 1 1 calc R U . . .
C17 C 0.6945(3) 0.4185(3) 0.1642(5) 0.039(2) Uani 1 1 d . . . . .
H17 H 0.691418 0.446419 0.171203 0.046 Uiso 1 1 calc R U . . .
C18 C 0.6932(3) 0.4022(3) 0.0851(5) 0.040(2) Uani 1 1 d . . . . .
H18 H 0.689684 0.419000 0.037813 0.048 Uiso 1 1 calc R U . . .
C19 C 0.6970(3) 0.3616(3) 0.0749(5) 0.045(2) Uani 1 1 d . . . . .
H19 H 0.696361 0.350491 0.020449 0.054 Uiso 1 1 calc R U . . .
C20 C 0.7017(2) 0.3369(2) 0.1439(4) 0.0297(18) Uani 1 1 d . . . . .
H20 H 0.703459 0.308823 0.136883 0.036 Uiso 1 1 calc R U . . .
C21 C 0.76536(19) 0.3334(2) 0.3361(4) 0.0190(15) Uani 1 1 d . . . . .
H21A H 0.768290 0.362703 0.340299 0.023 Uiso 1 1 calc R U . . .
H21B H 0.773075 0.321613 0.390729 0.023 Uiso 1 1 calc R U . . .
C22 C 0.79101(19) 0.3173(2) 0.2692(4) 0.0222(16) Uani 1 1 d . . . . .
H22A H 0.778750 0.321433 0.213304 0.027 Uiso 1 1 calc R U . . .
H22B H 0.795065 0.288328 0.277387 0.027 Uiso 1 1 calc R U . . .
C23 C 0.8263(2) 0.3923(2) 0.2336(4) 0.0260(17) Uani 1 1 d . . . . .
C24 C 0.8071(2) 0.3966(3) 0.1560(5) 0.037(2) Uani 1 1 d . . . . .
H24 H 0.799393 0.373733 0.124746 0.044 Uiso 1 1 calc R U . . .
C25 C 0.7995(3) 0.4344(3) 0.1253(5) 0.045(2) Uani 1 1 d . . . . .
H25 H 0.786029 0.437458 0.073294 0.054 Uiso 1 1 calc R U . . .
C26 C 0.8114(3) 0.4679(3) 0.1694(6) 0.049(3) Uani 1 1 d . . . . .
H26 H 0.806461 0.493767 0.147106 0.059 Uiso 1 1 calc R U . . .
C27 C 0.8302(3) 0.4639(3) 0.2449(6) 0.050(3) Uani 1 1 d . . . . .
H27 H 0.838242 0.486913 0.275179 0.060 Uiso 1 1 calc R U . . .
C28 C 0.8376(2) 0.4256(2) 0.2781(5) 0.0328(19) Uani 1 1 d . . . . .
H28 H 0.850401 0.422850 0.330951 0.039 Uiso 1 1 calc R U . . .
C29 C 0.8670(2) 0.3194(2) 0.2029(4) 0.0228(16) Uani 1 1 d . . . . .
C30 C 0.8535(2) 0.3017(2) 0.1297(4) 0.0255(16) Uani 1 1 d . . . . .
H30 H 0.827023 0.300807 0.117087 0.031 Uiso 1 1 calc R U . . .
C31 C 0.8786(2) 0.2851(2) 0.0743(4) 0.0320(19) Uani 1 1 d . . . . .
H31 H 0.869149 0.273327 0.023738 0.038 Uiso 1 1 calc R U . . .
C32 C 0.9168(2) 0.2859(3) 0.0929(5) 0.035(2) Uani 1 1 d . . . . .
H32 H 0.933794 0.274557 0.055055 0.042 Uiso 1 1 calc R U . . .
C33 C 0.9309(2) 0.3031(3) 0.1669(5) 0.040(2) Uani 1 1 d . . . . .
H33 H 0.957338 0.303295 0.179848 0.048 Uiso 1 1 calc R U . . .
C34 C 0.9058(2) 0.3200(3) 0.2216(5) 0.0323(19) Uani 1 1 d . . . . .
H34 H 0.915247 0.331979 0.271840 0.039 Uiso 1 1 calc R U . . .
C35 C 0.8908(2) 0.4027(2) 0.5822(4) 0.0217(15) Uani 1 1 d . . . . .
C36 C 0.8872(2) 0.4341(2) 0.5270(5) 0.0314(18) Uani 1 1 d . . . . .
H36 H 0.881097 0.428992 0.469854 0.038 Uiso 1 1 calc R U . . .
C37 C 0.8924(2) 0.4735(2) 0.5545(5) 0.037(2) Uani 1 1 d . . . . .
H37 H 0.889617 0.495275 0.516787 0.044 Uiso 1 1 calc R U . . .
C38 C 0.9019(3) 0.4800(3) 0.6380(6) 0.041(2) Uani 1 1 d . . . . .
H38 H 0.905922 0.506557 0.657169 0.049 Uiso 1 1 calc R U . . .
C39 C 0.9054(3) 0.4492(3) 0.6932(6) 0.044(2) Uani 1 1 d . . . . .
H39 H 0.911481 0.454427 0.750327 0.053 Uiso 1 1 calc R U . . .
C40 C 0.9001(2) 0.4101(3) 0.6656(5) 0.0342(19) Uani 1 1 d . . . . .
H40 H 0.902776 0.388550 0.703795 0.041 Uiso 1 1 calc R U . . .
C41 C 0.9355(2) 0.3327(2) 0.5543(4) 0.0209(15) Uani 1 1 d . . . . .
C42 C 0.9599(2) 0.3429(3) 0.4908(5) 0.0329(19) Uani 1 1 d . . . . .
H42 H 0.950913 0.358337 0.444593 0.039 Uiso 1 1 calc R U . . .
C43 C 0.9970(2) 0.3303(3) 0.4958(5) 0.043(2) Uani 1 1 d . . . . .
H43 H 1.013662 0.336954 0.452988 0.052 Uiso 1 1 calc R U . . .
C44 C 1.0101(3) 0.3075(3) 0.5642(6) 0.051(3) Uani 1 1 d . . . . .
H44 H 1.035787 0.299202 0.568020 0.062 Uiso 1 1 calc R U . . .
C45 C 0.9860(2) 0.2971(3) 0.6259(5) 0.039(2) Uani 1 1 d . . . . .
H45 H 0.995042 0.280985 0.671121 0.047 Uiso 1 1 calc R U . . .
C46 C 0.9487(2) 0.3101(2) 0.6222(4) 0.0286(18) Uani 1 1 d . . . . .
H46 H 0.932294 0.303587 0.665656 0.034 Uiso 1 1 calc R U . . .
C47 C 0.85975(19) 0.3246(2) 0.6192(4) 0.0203(15) Uani 1 1 d . . . . .
H47A H 0.864460 0.295633 0.613983 0.024 Uiso 1 1 calc R U . . .
H47B H 0.867811 0.332914 0.676372 0.024 Uiso 1 1 calc R U . . .
C48 C 0.81714(18) 0.3330(2) 0.6046(4) 0.0183(15) Uani 1 1 d . . . . .
H48A H 0.807950 0.319624 0.552700 0.022 Uiso 1 1 calc R U . . .
H48B H 0.813149 0.362105 0.597500 0.022 Uiso 1 1 calc R U . . .
C49 C 0.80586(19) 0.3463(2) 0.7780(4) 0.0201(15) Uani 1 1 d . . . . .
C50 C 0.8075(2) 0.3876(2) 0.7691(5) 0.0319(19) Uani 1 1 d . . . . .
H50 H 0.800841 0.399522 0.716899 0.038 Uiso 1 1 calc R U . . .
C51 C 0.8189(2) 0.4114(2) 0.8360(5) 0.0349(19) Uani 1 1 d . . . . .
H51 H 0.820067 0.439552 0.829436 0.042 Uiso 1 1 calc R U . . .
C52 C 0.8285(2) 0.3946(2) 0.9116(5) 0.0318(19) Uani 1 1 d . . . . .
H52 H 0.836591 0.411110 0.957040 0.038 Uiso 1 1 calc R U . . .
C53 C 0.8264(3) 0.3534(3) 0.9222(5) 0.040(2) Uani 1 1 d . . . . .
H53 H 0.832483 0.341822 0.975057 0.048 Uiso 1 1 calc R U . . .
C54 C 0.8156(2) 0.3296(2) 0.8552(4) 0.0283(17) Uani 1 1 d . . . . .
H48C H 0.814679 0.301417 0.862043 0.034 Uiso 1 1 calc R U . . .
C55 C 0.74236(18) 0.3335(2) 0.6646(4) 0.0178(14) Uani 1 1 d . . . . .
H55A H 0.743274 0.362554 0.653852 0.021 Uiso 1 1 calc R U . . .
H55B H 0.732654 0.320178 0.613006 0.021 Uiso 1 1 calc R U . . .
C56 C 0.7153(2) 0.3252(2) 0.7351(4) 0.0223(16) Uani 1 1 d . . . . .
H56A H 0.728761 0.328876 0.789874 0.027 Uiso 1 1 calc R U . . .
H56B H 0.706030 0.297360 0.731542 0.027 Uiso 1 1 calc R U . . .
C57 C 0.6965(2) 0.4070(2) 0.7589(4) 0.0261(17) Uani 1 1 d . . . . .
C58 C 0.7039(2) 0.4360(2) 0.6998(5) 0.0288(18) Uani 1 1 d . . . . .
H58 H 0.695156 0.432689 0.643536 0.035 Uiso 1 1 calc R U . . .
C59 C 0.7242(2) 0.4699(2) 0.7235(5) 0.036(2) Uani 1 1 d . . . . .
H59 H 0.729553 0.489728 0.683331 0.043 Uiso 1 1 calc R U . . .
C60 C 0.7367(3) 0.4747(2) 0.8057(5) 0.040(2) Uani 1 1 d . . . . .
H60 H 0.750602 0.497852 0.821972 0.048 Uiso 1 1 calc R U . . .
C61 C 0.7290(3) 0.4461(3) 0.8638(5) 0.045(2) Uani 1 1 d . . . . .
H61 H 0.737499 0.449715 0.920135 0.054 Uiso 1 1 calc R U . . .
C62 C 0.7090(3) 0.4122(3) 0.8415(5) 0.038(2) Uani 1 1 d . . . . .
H62 H 0.703905 0.392493 0.882065 0.046 Uiso 1 1 calc R U . . .
C63 C 0.6421(2) 0.3469(3) 0.8039(5) 0.0355(18) Uani 1 1 d . U . . .
C64 C 0.6517(2) 0.3236(3) 0.8723(5) 0.0325(17) Uani 1 1 d . U . . .
H64 H 0.676373 0.312370 0.877792 0.039 Uiso 1 1 calc R U . . .
C65 C 0.6259(3) 0.3164(3) 0.9332(5) 0.046(2) Uani 1 1 d . U . . .
H65 H 0.633099 0.301698 0.981848 0.055 Uiso 1 1 calc R U . . .
C66 C 0.5894(3) 0.3310(4) 0.9223(7) 0.072(3) Uani 1 1 d . U . . .
H66 H 0.571507 0.326187 0.963699 0.087 Uiso 1 1 calc R U . . .
C67 C 0.5787(4) 0.3527(4) 0.8511(7) 0.082(3) Uani 1 1 d . U . . .
H67 H 0.553319 0.361672 0.842569 0.098 Uiso 1 1 calc R U . . .
C68 C 0.6055(3) 0.3610(4) 0.7932(7) 0.067(3) Uani 1 1 d . U . . .
H68 H 0.598694 0.376508 0.745388 0.080 Uiso 1 1 calc R U . . .
C69 C 0.58060(14) 0.2635(2) 0.5703(4) 0.069(3) Uiso 1 1 d G . . . .
C70 C 0.60562(18) 0.2591(2) 0.5062(3) 0.048(2) Uiso 1 1 d G . . A .
H70 H 0.596239 0.258077 0.451239 0.058 Uiso 1 1 d G U . A .
C71 C 0.64415(17) 0.2561(2) 0.5229(4) 0.056(3) Uiso 1 1 d G . . A .
H71 H 0.660257 0.252391 0.479252 0.068 Uiso 1 1 d G U . A .
C72 C 0.65906(15) 0.2587(2) 0.6042(4) 0.068(3) Uiso 1 1 d G . . A .
H72 H 0.685037 0.257324 0.615216 0.082 Uiso 1 1 d G U . A .
C73 C 0.6344(2) 0.2634(2) 0.6690(3) 0.066(3) Uiso 1 1 d G . . A .
H73 H 0.643857 0.264868 0.723850 0.079 Uiso 1 1 d G U . A .
C74 C 0.59574(19) 0.2660(2) 0.6515(4) 0.088(4) Uiso 1 1 d G . . A .
C75A C 0.53877(15) 0.2660(4) 0.5524(7) 0.129(13) Uiso 0.5 1 d G . P A 1
H75A H 0.533462 0.263699 0.492178 0.194 Uiso 0.5 1 calc R U P A 1
H75B H 0.526160 0.244153 0.581042 0.194 Uiso 0.5 1 calc R U P A 1
H75C H 0.529287 0.291620 0.572160 0.194 Uiso 0.5 1 calc R U P A 1
H74A H 0.579038 0.269469 0.696538 0.155 Uiso 0.5 1 d G U P A 1
C75B C 0.5620(3) 0.2745(4) 0.7005(6) 0.160(17) Uiso 0.5 1 d G . P A 2
H75D H 0.539194 0.273418 0.663803 0.240 Uiso 0.5 1 calc R U P A 2
H75E H 0.560153 0.254631 0.744873 0.240 Uiso 0.5 1 calc R U P A 2
H75F H 0.564406 0.301220 0.725177 0.240 Uiso 0.5 1 calc R U P A 2
H69A H 0.553797 0.264872 0.558785 0.192 Uiso 0.5 1 d G U P A 2
C76 C 0.4670(3) 0.4418(4) 0.3863(8) 0.068(5) Uiso 0.5 1 d G U P B -1
C77 C 0.4415(3) 0.4111(3) 0.3701(7) 0.038(4) Uiso 0.5 1 d G U P B -1
H77 H 0.447158 0.391292 0.332011 0.045 Uiso 0.5 1 d G U P B -1
C78 C 0.4075(3) 0.4096(4) 0.4102(9) 0.052(4) Uiso 0.5 1 d G U P B -1
H78 H 0.390606 0.388922 0.398754 0.063 Uiso 0.5 1 d G U P B -1
C79 C 0.3988(4) 0.4388(5) 0.4671(9) 0.100(6) Uiso 0.5 1 d G U P B -1
H79 H 0.376130 0.437679 0.494266 0.120 Uiso 0.5 1 d G U P B -1
C80 C 0.4236(5) 0.4696(5) 0.4832(10) 0.125(7) Uiso 0.5 1 d G U P B -1
H80 H 0.417607 0.489486 0.520790 0.150 Uiso 0.5 1 d G U P B -1
C81 C 0.4577(5) 0.4711(4) 0.4439(10) 0.104(7) Uiso 0.5 1 d G U P B -1
H81 H 0.474473 0.491801 0.455905 0.125 Uiso 0.5 1 d G U P B -1
C82 C 0.5041(4) 0.4424(6) 0.3436(13) 0.119(10) Uiso 0.5 1 d G U P B -1
H82A H 0.518378 0.465465 0.361517 0.178 Uiso 0.5 1 d G U P B -1
H82B H 0.518145 0.418702 0.357834 0.178 Uiso 0.5 1 d G U P B -1
H82C H 0.499391 0.443515 0.284336 0.178 Uiso 0.5 1 d G U P B -1
C83 C 1.0194(3) 0.4453(3) 0.2170(7) 0.045(5) Uiso 0.5 1 d G . P C -1
C84 C 1.0119(4) 0.4053(3) 0.2326(11) 0.054(6) Uiso 0.5 1 d G . P C -1
H84 H 1.027409 0.385564 0.211533 0.064 Uiso 0.5 1 d G U P C -1
C85 C 0.9814(5) 0.3947(3) 0.2796(12) 0.054(6) Uiso 0.5 1 d G . P C -1
H85 H 0.976417 0.367951 0.289984 0.065 Uiso 0.5 1 d G U P C -1
C86 C 0.9583(3) 0.4242(4) 0.3110(8) 0.057(5) Uiso 0.5 1 d G . P C -1
H86 H 0.937837 0.417127 0.342396 0.068 Uiso 0.5 1 d G U P C -1
C87 C 0.9657(4) 0.4642(3) 0.2954(10) 0.069(7) Uiso 0.5 1 d G . P C -1
H87 H 0.950242 0.483879 0.316454 0.083 Uiso 0.5 1 d G U P C -1
C88 C 0.9963(4) 0.4747(3) 0.2485(11) 0.057(4) Uiso 0.5 1 d G . P C -1
H88 H 1.001286 0.501462 0.238080 0.068 Uiso 0.5 1 d G U P C -1
C89 C 1.0531(4) 0.4563(5) 0.1647(9) 0.066(6) Uiso 0.5 1 d G . P C -1
H89A H 1.065767 0.432363 0.148345 0.099 Uiso 0.5 1 d G U P C -1
H89B H 1.044238 0.470544 0.115828 0.099 Uiso 0.5 1 d G U P C -1
H89C H 1.070325 0.472737 0.197072 0.099 Uiso 0.5 1 d G U P C -1
C90 C 1.06260(12) 0.41377(15) 0.4992(3) 0.047(2) Uani 1 1 d G . . . .
C91 C 1.06559(16) 0.39406(19) 0.5756(3) 0.060(3) Uani 1 1 d G . . . .
H91 H 1.086164 0.377270 0.586291 0.072 Uiso 1 1 d G U . . .
C92 C 1.0391(2) 0.3985(2) 0.6365(3) 0.077(4) Uani 1 1 d G . . . .
H92 H 1.041630 0.384261 0.686144 0.093 Uiso 1 1 d G U . . .
C93 C 1.00863(18) 0.4247(2) 0.6221(4) 0.083(4) Uani 1 1 d G . . . .
H93 H 0.990966 0.428476 0.662634 0.100 Uiso 1 1 d G U . . .
C94 C 1.00509(16) 0.4451(2) 0.5454(5) 0.079(4) Uani 1 1 d G . . . .
H94 H 0.984734 0.462195 0.535156 0.095 Uiso 1 1 d G U . . .
C95 C 1.03140(15) 0.44010(18) 0.4853(4) 0.059(3) Uani 1 1 d G . . . .
H95 H 1.028746 0.454004 0.435287 0.071 Uiso 1 1 d G U . . .
C96 C 1.09019(18) 0.4081(2) 0.4320(4) 0.052(3) Uani 1 1 d G . . . .
H96A H 1.082887 0.424392 0.384920 0.078 Uiso 1 1 d G U . . .
H96B H 1.114998 0.415688 0.452706 0.078 Uiso 1 1 d G U . . .
H96C H 1.090370 0.380553 0.415538 0.078 Uiso 1 1 d G U . . .
C97 C 0.4501(3) 0.5479(3) 0.3254(7) 0.061(6) Uiso 0.5 1 d G . P D -1
C98 C 0.4526(4) 0.5526(5) 0.2400(7) 0.086(8) Uiso 0.5 1 d G . P D -1
H98 H 0.430743 0.552406 0.205836 0.103 Uiso 0.5 1 d G U P D -1
C99 C 0.4875(5) 0.5574(5) 0.2050(9) 0.103(10) Uiso 0.5 1 d G . P D -1
H99 H 0.488882 0.560535 0.147650 0.123 Uiso 0.5 1 d G U P D -1
C100 C 0.5202(4) 0.5576(5) 0.2551(12) 0.106(10) Uiso 0.5 1 d G . P D -1
H100 H 0.543610 0.560671 0.231491 0.127 Uiso 0.5 1 d G U P D -1
C101 C 0.5181(3) 0.5534(7) 0.3398(12) 0.110(11) Uiso 0.5 1 d G . P D -1
H101 H 0.540075 0.553920 0.373677 0.132 Uiso 0.5 1 d G U P D -1
C102 C 0.4834(4) 0.5483(6) 0.3750(8) 0.107(10) Uiso 0.5 1 d G . P D -1
H102 H 0.482351 0.545054 0.432418 0.129 Uiso 0.5 1 d G U P D -1
C103 C 0.4120(4) 0.5418(6) 0.3622(10) 0.064(6) Uiso 0.5 1 d G . P D -1
H10A H 0.415160 0.539144 0.421601 0.097 Uiso 0.5 1 d G U P D -1
H10B H 0.396096 0.564347 0.349064 0.097 Uiso 0.5 1 d G U P D -1
H10C H 0.400571 0.518045 0.339217 0.097 Uiso 0.5 1 d G U P D -1
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'
Au Au -2.0133 8.8022 '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'
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'
Sb Sb -0.5866 1.5461 '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
P1 Au1 P6 177.75(7) . .
P5 Au2 P2 169.11(6) 7_656 .
P3 Au3 P4 177.70(7) . .
F2 Sb1 F2 180.0 7_655 .
F2 Sb1 F3 91.1(2) 7_655 .
F2 Sb1 F3 88.9(2) . .
F2 Sb1 F3 88.9(2) 7_655 7_655
F2 Sb1 F3 91.0(2) . 7_655
F3 Sb1 F3 180.0 . 7_655
F2 Sb1 F1 91.5(2) 7_655 7_655
F2 Sb1 F1 88.5(2) . 7_655
F3 Sb1 F1 89.8(2) . 7_655
F3 Sb1 F1 90.2(2) 7_655 7_655
F2 Sb1 F1 88.5(2) 7_655 .
F2 Sb1 F1 91.5(2) . .
F3 Sb1 F1 90.2(2) . .
F3 Sb1 F1 89.8(2) 7_655 .
F1 Sb1 F1 180.0 7_655 .
F4 Sb2 F9 179.6(2) . .
F4 Sb2 F7 89.3(2) . .
F9 Sb2 F7 90.3(2) . .
F4 Sb2 F5 90.93(19) . .
F9 Sb2 F5 89.44(19) . .
F7 Sb2 F5 179.6(2) . .
F4 Sb2 F6 90.4(2) . .
F9 Sb2 F6 89.7(2) . .
F7 Sb2 F6 90.3(2) . .
F5 Sb2 F6 89.40(19) . .
F4 Sb2 F8 90.3(2) . .
F9 Sb2 F8 89.7(2) . .
F7 Sb2 F8 91.0(2) . .
F5 Sb2 F8 89.33(18) . .
F6 Sb2 F8 178.58(19) . .
F13 Sb3 F12 91.6(2) . .
F13 Sb3 F15 88.93(19) . .
F12 Sb3 F15 91.0(2) . .
F13 Sb3 F11 176.75(19) . .
F12 Sb3 F11 90.98(19) . .
F15 Sb3 F11 89.02(19) . .
F13 Sb3 F10 90.74(19) . .
F12 Sb3 F10 89.5(2) . .
F15 Sb3 F10 179.5(2) . .
F11 Sb3 F10 91.29(19) . .
F13 Sb3 F14 89.05(19) . .
F12 Sb3 F14 179.2(2) . .
F15 Sb3 F14 89.5(2) . .
F11 Sb3 F14 88.41(19) . .
F10 Sb3 F14 90.0(2) . .
C1 P1 C7 106.5(4) . .
C1 P1 C13 107.6(3) . .
C7 P1 C13 103.3(3) . .
C1 P1 Au1 112.9(3) . .
C7 P1 Au1 113.1(3) . .
C13 P1 Au1 112.6(2) . .
C15 P2 C14 105.6(3) . .
C15 P2 C21 103.1(3) . .
C14 P2 C21 103.8(3) . .
C15 P2 Au2 120.2(2) . .
C14 P2 Au2 113.1(2) . .
C21 P2 Au2 109.3(2) . .
C23 P3 C29 106.1(3) . .
C23 P3 C22 104.3(4) . .
C29 P3 C22 107.3(3) . .
C23 P3 Au3 112.2(3) . .
C29 P3 Au3 113.3(2) . .
C22 P3 Au3 113.0(2) . .
C41 P4 C47 107.4(3) . .
C41 P4 C35 104.3(3) . .
C47 P4 C35 106.0(3) . .
C41 P4 Au3 112.0(2) . .
C47 P4 Au3 112.8(2) . .
C35 P4 Au3 113.6(2) . .
C49 P5 C48 104.3(3) . .
C49 P5 C55 104.1(3) . .
C48 P5 C55 103.0(3) . .
C49 P5 Au2 120.9(2) . 7_656
C48 P5 Au2 111.9(2) . 7_656
C55 P5 Au2 110.8(2) . 7_656
C63 P6 C57 106.0(4) . .
C63 P6 C56 107.7(3) . .
C57 P6 C56 102.3(4) . .
C63 P6 Au1 114.1(3) . .
C57 P6 Au1 112.5(3) . .
C56 P6 Au1 113.3(2) . .
C2 C1 C6 119.0(7) . .
C2 C1 P1 119.4(6) . .
C6 C1 P1 121.6(6) . .
C1 C2 C3 120.6(8) . .
C1 C2 H2 119.7 . .
C3 C2 H2 119.7 . .
C2 C3 C4 120.0(8) . .
C2 C3 H3 120.0 . .
C4 C3 H3 120.0 . .
C5 C4 C3 120.1(8) . .
C5 C4 H4 119.9 . .
C3 C4 H4 119.9 . .
C4 C5 C6 119.6(8) . .
C4 C5 H5 120.2 . .
C6 C5 H5 120.2 . .
C5 C6 C1 120.5(7) . .
C5 C6 H6 119.7 . .
C1 C6 H6 119.7 . .
C12 C7 C8 118.4(8) . .
C12 C7 P1 121.4(6) . .
C8 C7 P1 120.0(6) . .
C7 C8 C9 119.5(8) . .
C7 C8 H8 120.3 . .
C9 C8 H8 120.3 . .
C10 C9 C8 120.9(8) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C9 C10 C11 120.1(9) . .
C9 C10 H10 119.9 . .
C11 C10 H10 119.9 . .
C12 C11 C10 119.6(8) . .
C12 C11 H11 120.2 . .
C10 C11 H11 120.2 . .
C11 C12 C7 121.5(8) . .
C11 C12 H12 119.2 . .
C7 C12 H12 119.2 . .
C14 C13 P1 110.9(5) . .
C14 C13 H13A 109.5 . .
P1 C13 H13A 109.5 . .
C14 C13 H13B 109.5 . .
P1 C13 H13B 109.5 . .
H13A C13 H13B 108.0 . .
C13 C14 P2 111.3(5) . .
C13 C14 H14A 109.4 . .
P2 C14 H14A 109.4 . .
C13 C14 H14B 109.4 . .
P2 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
C16 C15 C20 119.6(7) . .
C16 C15 P2 121.4(5) . .
C20 C15 P2 118.7(5) . .
C17 C16 C15 120.3(7) . .
C17 C16 H16 119.9 . .
C15 C16 H16 119.9 . .
C16 C17 C18 120.2(8) . .
C16 C17 H17 119.9 . .
C18 C17 H17 119.9 . .
C19 C18 C17 120.0(8) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 120.2(8) . .
C18 C19 H19 119.9 . .
C20 C19 H19 119.9 . .
C15 C20 C19 119.7(8) . .
C15 C20 H20 120.1 . .
C19 C20 H20 120.1 . .
C22 C21 P2 111.0(5) . .
C22 C21 H21A 109.4 . .
P2 C21 H21A 109.4 . .
C22 C21 H21B 109.4 . .
P2 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
C21 C22 P3 109.7(5) . .
C21 C22 H22A 109.7 . .
P3 C22 H22A 109.7 . .
C21 C22 H22B 109.7 . .
P3 C22 H22B 109.7 . .
H22A C22 H22B 108.2 . .
C28 C23 C24 119.9(7) . .
C28 C23 P3 119.5(6) . .
C24 C23 P3 120.6(6) . .
C25 C24 C23 119.4(9) . .
C25 C24 H24 120.3 . .
C23 C24 H24 120.3 . .
C24 C25 C26 120.7(8) . .
C24 C25 H25 119.6 . .
C26 C25 H25 119.6 . .
C27 C26 C25 120.0(8) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C26 C27 C28 120.2(9) . .
C26 C27 H27 119.9 . .
C28 C27 H27 119.9 . .
C23 C28 C27 119.7(8) . .
C23 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
C30 C29 C34 119.4(7) . .
C30 C29 P3 123.1(6) . .
C34 C29 P3 117.5(5) . .
C29 C30 C31 120.4(7) . .
C29 C30 H30 119.8 . .
C31 C30 H30 119.8 . .
C32 C31 C30 119.9(7) . .
C32 C31 H31 120.1 . .
C30 C31 H31 120.1 . .
C31 C32 C33 120.5(7) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C34 C33 C32 119.4(8) . .
C34 C33 H33 120.3 . .
C32 C33 H33 120.3 . .
C29 C34 C33 120.3(7) . .
C29 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
C36 C35 C40 119.7(7) . .
C36 C35 P4 120.1(6) . .
C40 C35 P4 120.0(6) . .
C35 C36 C37 120.6(7) . .
C35 C36 H36 119.7 . .
C37 C36 H36 119.7 . .
C38 C37 C36 118.4(8) . .
C38 C37 H37 120.8 . .
C36 C37 H37 120.8 . .
C39 C38 C37 121.6(8) . .
C39 C38 H38 119.2 . .
C37 C38 H38 119.2 . .
C38 C39 C40 119.8(8) . .
C38 C39 H39 120.1 . .
C40 C39 H39 120.1 . .
C35 C40 C39 119.9(8) . .
C35 C40 H40 120.1 . .
C39 C40 H40 120.1 . .
C46 C41 C42 120.3(7) . .
C46 C41 P4 122.7(6) . .
C42 C41 P4 117.0(5) . .
C43 C42 C41 119.7(7) . .
C43 C42 H42 120.1 . .
C41 C42 H42 120.1 . .
C42 C43 C44 119.8(8) . .
C42 C43 H43 120.1 . .
C44 C43 H43 120.1 . .
C45 C44 C43 120.6(8) . .
C45 C44 H44 119.7 . .
C43 C44 H44 119.7 . .
C44 C45 C46 120.3(8) . .
C44 C45 H45 119.9 . .
C46 C45 H45 119.9 . .
C45 C46 C41 119.3(7) . .
C45 C46 H46 120.3 . .
C41 C46 H46 120.3 . .
C48 C47 P4 111.0(5) . .
C48 C47 H47A 109.4 . .
P4 C47 H47A 109.4 . .
C48 C47 H47B 109.4 . .
P4 C47 H47B 109.4 . .
H47A C47 H47B 108.0 . .
C47 C48 P5 111.6(5) . .
C47 C48 H48A 109.3 . .
P5 C48 H48A 109.3 . .
C47 C48 H48B 109.3 . .
P5 C48 H48B 109.3 . .
H48A C48 H48B 108.0 . .
C54 C49 C50 118.7(7) . .
C54 C49 P5 121.0(6) . .
C50 C49 P5 120.2(5) . .
C51 C50 C49 120.3(7) . .
C51 C50 H50 119.8 . .
C49 C50 H50 119.8 . .
C52 C51 C50 120.4(8) . .
C52 C51 H51 119.8 . .
C50 C51 H51 119.8 . .
C51 C52 C53 120.2(7) . .
C51 C52 H52 119.9 . .
C53 C52 H52 119.9 . .
C54 C53 C52 119.5(8) . .
C54 C53 H53 120.3 . .
C52 C53 H53 120.3 . .
C53 C54 C49 120.8(8) . .
C53 C54 H48C 119.6 . .
C49 C54 H48C 119.6 . .
C56 C55 P5 111.4(5) . .
C56 C55 H55A 109.3 . .
P5 C55 H55A 109.3 . .
C56 C55 H55B 109.3 . .
P5 C55 H55B 109.3 . .
H55A C55 H55B 108.0 . .
C55 C56 P6 108.9(5) . .
C55 C56 H56A 109.9 . .
P6 C56 H56A 109.9 . .
C55 C56 H56B 109.9 . .
P6 C56 H56B 109.9 . .
H56A C56 H56B 108.3 . .
C58 C57 C62 119.9(8) . .
C58 C57 P6 119.5(6) . .
C62 C57 P6 120.3(6) . .
C59 C58 C57 119.7(7) . .
C59 C58 H58 120.1 . .
C57 C58 H58 120.1 . .
C60 C59 C58 119.8(8) . .
C60 C59 H59 120.1 . .
C58 C59 H59 120.1 . .
C61 C60 C59 120.2(8) . .
C61 C60 H60 119.9 . .
C59 C60 H60 119.9 . .
C60 C61 C62 120.8(8) . .
C60 C61 H61 119.6 . .
C62 C61 H61 119.6 . .
C61 C62 C57 119.5(8) . .
C61 C62 H62 120.3 . .
C57 C62 H62 120.3 . .
C64 C63 C68 119.4(8) . .
C64 C63 P6 123.3(6) . .
C68 C63 P6 117.2(6) . .
C63 C64 C65 120.9(8) . .
C63 C64 H64 119.6 . .
C65 C64 H64 119.6 . .
C66 C65 C64 119.1(8) . .
C66 C65 H65 120.4 . .
C64 C65 H65 120.4 . .
C65 C66 C67 120.6(9) . .
C65 C66 H66 119.7 . .
C67 C66 H66 119.7 . .
C68 C67 C66 119.0(10) . .
C68 C67 H67 120.5 . .
C66 C67 H67 120.5 . .
C63 C68 C67 120.8(9) . .
C63 C68 H68 119.6 . .
C67 C68 H68 119.6 . .
C74 C69 C70 117.9 . .
C74 C69 C75A 121.1 . .
C70 C69 C75A 121.0 . .
C74 C69 H69A 121.1 . .
C70 C69 H69A 121.0 . .
C71 C70 C69 121.0 . .
C71 C70 H70 119.5 . .
C69 C70 H70 119.5 . .
C70 C71 C72 120.8 . .
C70 C71 H71 119.5 . .
C72 C71 H71 119.7 . .
C71 C72 C73 118.9 . .
C71 C72 H72 120.6 . .
C73 C72 H72 120.5 . .
C74 C73 C72 119.8 . .
C74 C73 H73 120.1 . .
C72 C73 H73 120.1 . .
C73 C74 C69 121.6 . .
C73 C74 C75B 135.3 . .
C69 C74 C75B 102.8 . .
C73 C74 H74A 119.1 . .
C69 C74 H74A 119.3 . .
C69 C75A H75A 109.5 . .
C69 C75A H75B 109.5 . .
H75A C75A H75B 109.5 . .
C69 C75A H75C 109.5 . .
H75A C75A H75C 109.5 . .
H75B C75A H75C 109.5 . .
C74 C75B H75D 109.5 . .
C74 C75B H75E 109.5 . .
H75D C75B H75E 109.5 . .
C74 C75B H75F 109.5 . .
H75D C75B H75F 109.5 . .
H75E C75B H75F 109.5 . .
C77 C76 C81 118.4 . .
C77 C76 C82 119.8 . .
C81 C76 C82 121.8 . .
C78 C77 C76 120.6 . .
C78 C77 H77 119.6 . .
C76 C77 H77 119.8 . .
C79 C78 C77 120.2 . .
C79 C78 H78 120.0 . .
C77 C78 H78 119.8 . .
C80 C79 C78 119.9 . .
C80 C79 H79 120.0 . .
C78 C79 H79 120.1 . .
C79 C80 C81 120.2 . .
C79 C80 H80 120.0 . .
C81 C80 H80 119.9 . .
C80 C81 C76 120.8 . .
C80 C81 H81 119.5 . .
C76 C81 H81 119.7 . .
C76 C82 H82A 109.4 . .
C76 C82 H82B 109.4 . .
H82A C82 H82B 109.5 . .
C76 C82 H82C 109.5 . .
H82A C82 H82C 109.5 . .
H82B C82 H82C 109.6 . .
C88 C83 C84 120.0 . .
C88 C83 C89 120.7 . .
C84 C83 C89 119.2 . .
C85 C84 C83 120.1 . .
C85 C84 H84 119.9 . .
C83 C84 H84 120.0 . .
C84 C85 C86 119.9 . .
C84 C85 H85 120.0 . .
C86 C85 H85 120.1 . .
C85 C86 C87 120.1 . .
C85 C86 H86 119.9 . .
C87 C86 H86 120.0 . .
C88 C87 C86 120.0 . .
C88 C87 H87 120.0 . .
C86 C87 H87 120.1 . .
C87 C88 C83 120.0 . .
C87 C88 H88 120.0 . .
C83 C88 H88 120.0 . .
C83 C89 H89A 109.4 . .
C83 C89 H89B 109.5 . .
H89A C89 H89B 109.4 . .
C83 C89 H89C 109.4 . .
H89A C89 H89C 109.5 . .
H89B C89 H89C 109.6 . .
C91 C90 C95 117.6 . .
C91 C90 C96 123.1 . .
C95 C90 C96 119.3 . .
C92 C91 C90 122.7 . .
C92 C91 H91 118.6 . .
C90 C91 H91 118.7 . .
C91 C92 C93 119.1 . .
C91 C92 H92 120.4 . .
C93 C92 H92 120.5 . .
C92 C93 C94 119.2 . .
C92 C93 H93 120.3 . .
C94 C93 H93 120.5 . .
C95 C94 C93 121.0 . .
C95 C94 H94 119.4 . .
C93 C94 H94 119.6 . .
C94 C95 C90 120.4 . .
C94 C95 H95 119.8 . .
C90 C95 H95 119.8 . .
C90 C96 H96A 109.5 . .
C90 C96 H96B 109.3 . .
H96A C96 H96B 109.5 . .
C90 C96 H96C 109.5 . .
H96A C96 H96C 109.5 . .
H96B C96 H96C 109.5 . .
C98 C97 C102 118.4 . .
C98 C97 C103 119.9 . .
C102 C97 C103 121.7 . .
C99 C98 C97 120.6 . .
C99 C98 H98 119.6 . .
C97 C98 H98 119.8 . .
C100 C99 C98 120.2 . .
C100 C99 H99 120.0 . .
C98 C99 H99 119.9 . .
C101 C100 C99 119.9 . .
C101 C100 H100 120.1 . .
C99 C100 H100 120.0 . .
C100 C101 C102 120.2 . .
C100 C101 H101 120.0 . .
C102 C101 H101 119.8 . .
C101 C102 C97 120.7 . .
C101 C102 H102 119.5 . .
C97 C102 H102 119.8 . .
C97 C103 H10A 109.5 . .
C97 C103 H10B 109.4 . .
H10A C103 H10B 109.5 . .
C97 C103 H10C 109.4 . .
H10A C103 H10C 109.6 . .
H10B C103 H10C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au2 Cl1 3.4870(3) .
Au1 P1 2.3073(18) .
Au1 P6 2.3077(18) .
Au2 P5 2.2986(18) 7_656
Au2 P2 2.3013(18) .
Au3 P3 2.3066(17) .
Au3 P4 2.3081(17) .
Sb1 F2 1.866(5) 7_655
Sb1 F2 1.866(5) .
Sb1 F3 1.867(5) .
Sb1 F3 1.867(5) 7_655
Sb1 F1 1.869(5) 7_655
Sb1 F1 1.869(5) .
Sb2 F4 1.867(4) .
Sb2 F9 1.876(4) .
Sb2 F7 1.877(4) .
Sb2 F5 1.879(4) .
Sb2 F6 1.881(4) .
Sb2 F8 1.885(4) .
Sb3 F13 1.864(4) .
Sb3 F12 1.869(4) .
Sb3 F15 1.872(4) .
Sb3 F11 1.876(4) .
Sb3 F10 1.879(4) .
Sb3 F14 1.879(4) .
P1 C1 1.801(8) .
P1 C7 1.809(8) .
P1 C13 1.813(7) .
P2 C15 1.812(7) .
P2 C14 1.826(7) .
P2 C21 1.829(7) .
P3 C23 1.805(8) .
P3 C29 1.807(7) .
P3 C22 1.831(7) .
P4 C41 1.813(7) .
P4 C47 1.817(7) .
P4 C35 1.822(7) .
P5 C49 1.807(7) .
P5 C48 1.818(7) .
P5 C55 1.824(7) .
P6 C63 1.806(8) .
P6 C57 1.816(8) .
P6 C56 1.837(7) .
C1 C2 1.359(11) .
C1 C6 1.409(11) .
C2 C3 1.385(12) .
C2 H2 0.9500 .
C3 C4 1.388(13) .
C3 H3 0.9500 .
C4 C5 1.369(12) .
C4 H4 0.9500 .
C5 C6 1.379(11) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C12 1.383(11) .
C7 C8 1.395(11) .
C8 C9 1.402(13) .
C8 H8 0.9500 .
C9 C10 1.351(13) .
C9 H9 0.9500 .
C10 C11 1.385(12) .
C10 H10 0.9500 .
C11 C12 1.374(12) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C14 1.537(9) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9900 .
C14 H14B 0.9900 .
C15 C16 1.384(10) .
C15 C20 1.388(10) .
C16 C17 1.377(11) .
C16 H16 0.9500 .
C17 C18 1.380(12) .
C17 H17 0.9500 .
C18 C19 1.376(12) .
C18 H18 0.9500 .
C19 C20 1.388(11) .
C19 H19 0.9500 .
C20 H20 0.9500 .
C21 C22 1.531(9) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C28 1.375(11) .
C23 C24 1.403(11) .
C24 C25 1.381(12) .
C24 H24 0.9500 .
C25 C26 1.382(14) .
C25 H25 0.9500 .
C26 C27 1.366(13) .
C26 H26 0.9500 .
C27 C28 1.407(11) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 C30 1.385(10) .
C29 C34 1.392(10) .
C30 C31 1.396(10) .
C30 H30 0.9500 .
C31 C32 1.372(11) .
C31 H31 0.9500 .
C32 C33 1.394(12) .
C32 H32 0.9500 .
C33 C34 1.393(11) .
C33 H33 0.9500 .
C34 H34 0.9500 .
C35 C36 1.377(11) .
C35 C40 1.388(10) .
C36 C37 1.403(11) .
C36 H36 0.9500 .
C37 C38 1.385(12) .
C37 H37 0.9500 .
C38 C39 1.362(12) .
C38 H38 0.9500 .
C39 C40 1.393(12) .
C39 H39 0.9500 .
C40 H40 0.9500 .
C41 C46 1.393(10) .
C41 C42 1.404(10) .
C42 C43 1.375(11) .
C42 H42 0.9500 .
C43 C44 1.399(12) .
C43 H43 0.9500 .
C44 C45 1.376(12) .
C44 H44 0.9500 .
C45 C46 1.389(11) .
C45 H45 0.9500 .
C46 H46 0.9500 .
C47 C48 1.540(9) .
C47 H47A 0.9900 .
C47 H47B 0.9900 .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C54 1.391(10) .
C49 C50 1.392(11) .
C50 C51 1.384(11) .
C50 H50 0.9500 .
C51 C52 1.367(11) .
C51 H51 0.9500 .
C52 C53 1.392(12) .
C52 H52 0.9500 .
C53 C54 1.382(11) .
C53 H53 0.9500 .
C54 H48C 0.9500 .
C55 C56 1.537(9) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C58 1.392(11) .
C57 C62 1.393(10) .
C58 C59 1.386(11) .
C58 H58 0.9500 .
C59 C60 1.385(11) .
C59 H59 0.9500 .
C60 C61 1.372(13) .
C60 H60 0.9500 .
C61 C62 1.376(13) .
C61 H61 0.9500 .
C62 H62 0.9500 .
C63 C64 1.377(11) .
C63 C68 1.382(12) .
C64 C65 1.387(11) .
C64 H64 0.9500 .
C65 C66 1.382(14) .
C65 H65 0.9500 .
C66 C67 1.394(14) .
C66 H66 0.9500 .
C67 C68 1.384(13) .
C67 H67 0.9500 .
C68 H68 0.9500 .
C69 C74 1.3915 .
C69 C70 1.3918 .
C69 C75A 1.4970 .
C69 H69A 0.9588 .
C70 C71 1.3805 .
C70 H70 0.9306 .
C71 C72 1.3907 .
C71 H71 0.9292 .
C72 C73 1.3927 .
C72 H72 0.9289 .
C73 C74 1.3865 .
C73 H73 0.9308 .
C74 C75B 1.4826 .
C74 H74A 0.9592 .
C75A H75A 0.9800 .
C75A H75B 0.9800 .
C75A H75C 0.9800 .
C75B H75D 0.9800 .
C75B H75E 0.9800 .
C75B H75F 0.9800 .
C76 C77 1.3858 .
C76 C81 1.3957 .
C76 C82 1.5035 .
C77 C78 1.3855 .
C77 H77 0.9298 .
C78 C79 1.3815 .
C78 H78 0.9297 .
C79 C80 1.3709 .
C79 H79 0.9286 .
C80 C81 1.3813 .
C80 H80 0.9295 .
C81 H81 0.9297 .
C82 H82A 0.9599 .
C82 H82B 0.9590 .
C82 H82C 0.9606 .
C83 C88 1.3883 .
C83 C84 1.3893 .
C83 C89 1.5301 .
C84 C85 1.3875 .
C84 H84 0.9298 .
C85 C86 1.3889 .
C85 H85 0.9297 .
C86 C87 1.3895 .
C86 H86 0.9282 .
C87 C88 1.3876 .
C87 H87 0.9294 .
C88 H88 0.9302 .
C89 H89A 0.9594 .
C89 H89B 0.9602 .
C89 H89C 0.9595 .
C90 C91 1.3932 .
C90 C95 1.4224 .
C90 C96 1.4949 .
C91 C92 1.3875 .
C91 H91 0.9298 .
C92 C93 1.4012 .
C92 H92 0.9306 .
C93 C94 1.4101 .
C93 H93 0.9289 .
C94 C95 1.3773 .
C94 H94 0.9290 .
C95 H95 0.9296 .
C96 H96A 0.9600 .
C96 H96B 0.9592 .
C96 H96C 0.9596 .
C97 C98 1.3871 .
C97 C102 1.3954 .
C97 C103 1.5042 .
C98 C99 1.3851 .
C98 H98 0.9298 .
C99 C100 1.3818 .
C99 H99 0.9303 .
C100 C101 1.3727 .
C100 H100 0.9284 .
C101 C102 1.3811 .
C101 H101 0.9298 .
C102 H102 0.9302 .
C103 H10A 0.9604 .
C103 H10B 0.9602 .
C103 H10C 0.9594 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
C7 P1 C1 C2 -84.7(8) .
C13 P1 C1 C2 165.0(8) .
Au1 P1 C1 C2 40.0(9) .
C7 P1 C1 C6 94.8(7) .
C13 P1 C1 C6 -15.5(8) .
Au1 P1 C1 C6 -140.4(6) .
C6 C1 C2 C3 1.2(17) .
P1 C1 C2 C3 -179.3(10) .
C1 C2 C3 C4 -1(2) .
C2 C3 C4 C5 2(2) .
C3 C4 C5 C6 -3(2) .
C4 C5 C6 C1 2.7(16) .
C2 C1 C6 C5 -1.8(14) .
P1 C1 C6 C5 178.6(7) .
C1 P1 C7 C12 142.1(7) .
C13 P1 C7 C12 -104.6(7) .
Au1 P1 C7 C12 17.5(7) .
C1 P1 C7 C8 -42.9(8) .
C13 P1 C7 C8 70.4(7) .
Au1 P1 C7 C8 -167.5(6) .
C12 C7 C8 C9 -0.4(13) .
P1 C7 C8 C9 -175.5(8) .
C7 C8 C9 C10 0.2(16) .
C8 C9 C10 C11 -0.2(16) .
C9 C10 C11 C12 0.5(15) .
C10 C11 C12 C7 -0.7(14) .
C8 C7 C12 C11 0.6(13) .
P1 C7 C12 C11 175.7(7) .
C1 P1 C13 C14 -169.2(5) .
C7 P1 C13 C14 78.4(6) .
Au1 P1 C13 C14 -44.0(6) .
P1 C13 C14 P2 -166.6(4) .
C15 P2 C14 C13 65.8(6) .
C21 P2 C14 C13 173.9(5) .
Au2 P2 C14 C13 -67.7(5) .
C14 P2 C15 C16 37.4(7) .
C21 P2 C15 C16 -71.2(7) .
Au2 P2 C15 C16 166.8(5) .
C14 P2 C15 C20 -148.1(6) .
C21 P2 C15 C20 103.3(6) .
Au2 P2 C15 C20 -18.6(7) .
C20 C15 C16 C17 -0.3(12) .
P2 C15 C16 C17 174.2(7) .
C15 C16 C17 C18 -1.2(14) .
C16 C17 C18 C19 1.0(15) .
C17 C18 C19 C20 0.7(15) .
C16 C15 C20 C19 2.0(12) .
P2 C15 C20 C19 -172.6(7) .
C18 C19 C20 C15 -2.1(14) .
C15 P2 C21 C22 -71.1(6) .
C14 P2 C21 C22 178.9(5) .
Au2 P2 C21 C22 57.9(5) .
P2 C21 C22 P3 161.1(4) .
C23 P3 C22 C21 -73.7(5) .
C29 P3 C22 C21 174.0(5) .
Au3 P3 C22 C21 48.4(5) .
C29 P3 C23 C28 -117.9(7) .
C22 P3 C23 C28 129.0(6) .
Au3 P3 C23 C28 6.4(7) .
C29 P3 C23 C24 61.7(7) .
C22 P3 C23 C24 -51.4(7) .
Au3 P3 C23 C24 -174.0(6) .
C28 C23 C24 C25 -0.5(12) .
P3 C23 C24 C25 179.9(7) .
C23 C24 C25 C26 1.5(14) .
C24 C25 C26 C27 -1.3(15) .
C25 C26 C27 C28 0.1(15) .
C24 C23 C28 C27 -0.6(12) .
P3 C23 C28 C27 179.0(7) .
C26 C27 C28 C23 0.8(14) .
C23 P3 C29 C30 -80.2(7) .
C22 P3 C29 C30 30.9(8) .
Au3 P3 C29 C30 156.2(6) .
C23 P3 C29 C34 98.2(7) .
C22 P3 C29 C34 -150.7(6) .
Au3 P3 C29 C34 -25.3(7) .
C34 C29 C30 C31 -1.1(12) .
P3 C29 C30 C31 177.3(6) .
C29 C30 C31 C32 0.9(12) .
C30 C31 C32 C33 0.0(13) .
C31 C32 C33 C34 -0.7(14) .
C30 C29 C34 C33 0.4(13) .
P3 C29 C34 C33 -178.2(7) .
C32 C33 C34 C29 0.5(14) .
C41 P4 C35 C36 108.0(7) .
C47 P4 C35 C36 -138.8(6) .
Au3 P4 C35 C36 -14.3(7) .
C41 P4 C35 C40 -66.9(7) .
C47 P4 C35 C40 46.3(7) .
Au3 P4 C35 C40 170.8(6) .
C40 C35 C36 C37 -0.5(12) .
P4 C35 C36 C37 -175.5(6) .
C35 C36 C37 C38 0.9(13) .
C36 C37 C38 C39 -1.1(14) .
C37 C38 C39 C40 1.0(15) .
C36 C35 C40 C39 0.4(12) .
P4 C35 C40 C39 175.3(7) .
C38 C39 C40 C35 -0.6(14) .
C47 P4 C41 C46 -14.9(7) .
C35 P4 C41 C46 97.3(7) .
Au3 P4 C41 C46 -139.4(6) .
C47 P4 C41 C42 166.6(6) .
C35 P4 C41 C42 -81.2(7) .
Au3 P4 C41 C42 42.1(7) .
C46 C41 C42 C43 0.1(13) .
P4 C41 C42 C43 178.6(7) .
C41 C42 C43 C44 -0.1(15) .
C42 C43 C44 C45 1.0(16) .
C43 C44 C45 C46 -1.9(16) .
C44 C45 C46 C41 1.9(14) .
C42 C41 C46 C45 -1.0(12) .
P4 C41 C46 C45 -179.4(7) .
C41 P4 C47 C48 -169.8(5) .
C35 P4 C47 C48 79.2(5) .
Au3 P4 C47 C48 -45.8(5) .
P4 C47 C48 P5 -167.8(4) .
C49 P5 C48 C47 65.5(6) .
C55 P5 C48 C47 174.0(5) .
Au2 P5 C48 C47 -66.9(5) 7_656
C48 P5 C49 C54 -133.0(6) .
C55 P5 C49 C54 119.4(6) .
Au2 P5 C49 C54 -6.0(7) 7_656
C48 P5 C49 C50 48.8(7) .
C55 P5 C49 C50 -58.8(7) .
Au2 P5 C49 C50 175.8(5) 7_656
C54 C49 C50 C51 0.4(12) .
P5 C49 C50 C51 178.7(6) .
C49 C50 C51 C52 -0.2(13) .
C50 C51 C52 C53 -0.8(13) .
C51 C52 C53 C54 1.6(13) .
C52 C53 C54 C49 -1.4(13) .
C50 C49 C54 C53 0.4(12) .
P5 C49 C54 C53 -177.8(7) .
C49 P5 C55 C56 -65.7(6) .
C48 P5 C55 C56 -174.3(5) .
Au2 P5 C55 C56 65.9(5) 7_656
P5 C55 C56 P6 157.7(4) .
C63 P6 C56 C55 175.5(5) .
C57 P6 C56 C55 -73.0(5) .
Au1 P6 C56 C55 48.4(5) .
C63 P6 C57 C58 -141.6(6) .
C56 P6 C57 C58 105.7(6) .
Au1 P6 C57 C58 -16.3(7) .
C63 P6 C57 C62 45.4(8) .
C56 P6 C57 C62 -67.3(7) .
Au1 P6 C57 C62 170.7(6) .
C62 C57 C58 C59 0.7(12) .
P6 C57 C58 C59 -172.4(6) .
C57 C58 C59 C60 -0.5(12) .
C58 C59 C60 C61 -0.1(13) .
C59 C60 C61 C62 0.4(14) .
C60 C61 C62 C57 -0.2(14) .
C58 C57 C62 C61 -0.3(13) .
P6 C57 C62 C61 172.6(7) .
C57 P6 C63 C64 -91.2(8) .
C56 P6 C63 C64 17.8(9) .
Au1 P6 C63 C64 144.5(7) .
C57 P6 C63 C68 89.4(9) .
C56 P6 C63 C68 -161.7(9) .
Au1 P6 C63 C68 -35.0(10) .
C68 C63 C64 C65 -4.4(15) .
P6 C63 C64 C65 176.2(7) .
C63 C64 C65 C66 3.7(16) .
C64 C65 C66 C67 -0.1(19) .
C65 C66 C67 C68 -3(2) .
C64 C63 C68 C67 1.4(18) .
P6 C63 C68 C67 -179.1(11) .
C66 C67 C68 C63 2(2) .
C74 C69 C70 C71 1.7 .
C75A C69 C70 C71 -178.9 .
C69 C70 C71 C72 -1.9 .
C70 C71 C72 C73 1.4 .
C71 C72 C73 C74 -0.8 .
C72 C73 C74 C69 0.6 .
C72 C73 C74 C75B -173.1 .
C70 C69 C74 C73 -1.0 .
C75A C69 C74 C73 179.5 .
C70 C69 C74 C75B 174.5 .
C81 C76 C77 C78 0.1 .
C82 C76 C77 C78 178.7 .
C76 C77 C78 C79 -0.2 .
C77 C78 C79 C80 0.7 .
C78 C79 C80 C81 -1.1 .
C79 C80 C81 C76 1.0 .
C77 C76 C81 C80 -0.5 .
C82 C76 C81 C80 -179.1 .
C88 C83 C84 C85 -0.1 .
C89 C83 C84 C85 -179.7 .
C83 C84 C85 C86 0.1 .
C84 C85 C86 C87 -0.1 .
C85 C86 C87 C88 0.0 .
C86 C87 C88 C83 0.0 .
C84 C83 C88 C87 0.0 .
C89 C83 C88 C87 179.6 .
C95 C90 C91 C92 1.5 .
C96 C90 C91 C92 -177.8 .
C90 C91 C92 C93 -1.8 .
C91 C92 C93 C94 1.5 .
C92 C93 C94 C95 -0.9 .
C93 C94 C95 C90 0.7 .
C91 C90 C95 C94 -0.9 .
C96 C90 C95 C94 178.4 .
C102 C97 C98 C99 0.0 .
C103 C97 C98 C99 -178.7 .
C97 C98 C99 C100 0.1 .
C98 C99 C100 C101 -0.6 .
C99 C100 C101 C102 1.0 .
C100 C101 C102 C97 -0.8 .
C98 C97 C102 C101 0.4 .
C103 C97 C102 C101 179.0 .
