#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:25:37 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178782 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/36/4103695.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_4103695
loop_
_publ_author_name
'Terence Kwok-Ming Lee'
'Nianyong Zhu'
'Vivian Wing-Wah Yam'
_publ_section_title
;
 An Unprecedented Luminescent Polynuclear Gold(I) μ3-Sulfido Cluster With
 a Thiacrown-like Architecture
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              17646
_journal_page_last               17648
_journal_paper_doi               10.1021/ja1055017
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C204 H198 Au18 F36 O2 P24 S6'
_chemical_formula_sum            'C204 H198 Au18 F36 O2 P24 S6'
_chemical_formula_weight         7846.66
_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                92.21(2)
_cell_angle_beta                 109.19(2)
_cell_angle_gamma                100.89(2)
_cell_formula_units_Z            1
_cell_length_a                   16.025(3)
_cell_length_b                   20.624(4)
_cell_length_c                   21.736(4)
_cell_measurement_reflns_used    0
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_volume                     6623(2)
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    SHELXS-97
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_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  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0544
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            38545
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         1.83
_exptl_absorpt_coefficient_mu    10.184
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.967
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3640
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.570
_refine_diff_density_min         -1.727
_refine_diff_density_rms         0.198
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    ride-on
_refine_ls_matrix_type           full
_refine_ls_number_parameters     501
_refine_ls_number_reflns         24429
_refine_ls_number_restraints     243
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0534
_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)+(0.0915P)²+31.8562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1552
_refine_ls_wR_factor_ref         0.1785
_reflns_number_gt                15839
_reflns_number_total             24429
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1055017_si_002.cif
_cod_data_source_block           wt1656
_cod_database_code               4103695
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
C1 C 0.6675(12) 0.6281(9) -0.0304(8) 0.082(4) Uiso 1 1 d .
H1A H 0.6290 0.5840 -0.0394 0.098 Uiso 1 1 calc R
H1B H 0.7051 0.6343 0.0155 0.098 Uiso 1 1 calc R
C2 C 0.6091(11) 0.6788(8) -0.0429(8) 0.080(4) Uiso 1 1 d .
H2A H 0.5471 0.6573 -0.0494 0.096 Uiso 1 1 calc R
H2B H 0.6101 0.6985 -0.0826 0.096 Uiso 1 1 calc R
C3 C 0.825(2) 0.5829(15) -0.0354(15) 0.160(10) Uiso 1 1 d .
H3A H 0.8336 0.5897 0.0108 0.192 Uiso 1 1 calc R
H3B H 0.7975 0.5363 -0.0499 0.192 Uiso 1 1 calc R
C4 C 0.898(3) 0.593(2) -0.040(2) 0.232(18) Uiso 1 1 d .
H4A H 0.8888 0.6002 -0.0857 0.278 Uiso 1 1 calc R
H4B H 0.9178 0.5509 -0.0346 0.278 Uiso 1 1 calc R
C5 C 0.6785(13) 0.5903(11) -0.1605(9) 0.129(8) Uiso 1 1 d G
C6 C 0.6265(14) 0.5263(11) -0.1699(11) 0.154(10) Uiso 1 1 d G
H6 H 0.6216 0.5048 -0.1341 0.185 Uiso 1 1 calc R
C7 C 0.5818(14) 0.4944(10) -0.2330(15) 0.228(17) Uiso 1 1 d G
H7 H 0.5471 0.4515 -0.2393 0.274 Uiso 1 1 calc R
C8 C 0.5892(19) 0.5265(16) -0.2866(10) 0.34(3) Uiso 1 1 d G
H8 H 0.5593 0.5052 -0.3288 0.410 Uiso 1 1 calc R
C9 C 0.641(2) 0.5906(16) -0.2772(10) 0.38(3) Uiso 1 1 d G
H9 H 0.6460 0.6121 -0.3131 0.453 Uiso 1 1 calc R
C10 C 0.6858(15) 0.6225(10) -0.2141(14) 0.183(12) Uiso 1 1 d G
H10 H 0.7206 0.6654 -0.2078 0.220 Uiso 1 1 calc R
C11 C 0.5720(8) 0.7985(6) 0.0025(6) 0.074(4) Uiso 1 1 d G
C12 C 0.4822(9) 0.7783(6) -0.0020(7) 0.126(7) Uiso 1 1 d G
H12 H 0.4618 0.7364 0.0086 0.151 Uiso 1 1 calc R
C13 C 0.4228(7) 0.8207(10) -0.0224(9) 0.165(11) Uiso 1 1 d G
H13 H 0.3627 0.8071 -0.0255 0.198 Uiso 1 1 calc R
C14 C 0.4533(11) 0.8833(9) -0.0383(8) 0.183(12) Uiso 1 1 d G
H14 H 0.4136 0.9116 -0.0520 0.220 Uiso 1 1 calc R
C15 C 0.5431(12) 0.9035(6) -0.0337(7) 0.139(8) Uiso 1 1 d G
H15 H 0.5635 0.9454 -0.0444 0.166 Uiso 1 1 calc R
C16 C 0.6025(8) 0.8611(7) -0.0133(7) 0.105(6) Uiso 1 1 d G
H16 H 0.6626 0.8746 -0.0103 0.126 Uiso 1 1 calc R
C17 C 0.6342(8) 0.7007(5) 0.0933(4) 0.068(4) Uiso 1 1 d G
C18 C 0.5682(7) 0.6434(6) 0.0853(5) 0.114(7) Uiso 1 1 d G
H18 H 0.5289 0.6258 0.0436 0.137 Uiso 1 1 calc R
C19 C 0.5611(8) 0.6126(5) 0.1396(7) 0.132(8) Uiso 1 1 d G
H19 H 0.5170 0.5743 0.1343 0.159 Uiso 1 1 calc R
C20 C 0.6200(9) 0.6390(6) 0.2020(5) 0.093(5) Uiso 1 1 d G
H20 H 0.6152 0.6184 0.2384 0.112 Uiso 1 1 calc R
C21 C 0.6860(8) 0.6962(6) 0.2100(4) 0.103(6) Uiso 1 1 d G
H21 H 0.7253 0.7139 0.2518 0.124 Uiso 1 1 calc R
C22 C 0.6931(7) 0.7270(5) 0.1557(5) 0.077(4) Uiso 1 1 d G
H22 H 0.7372 0.7653 0.1611 0.092 Uiso 1 1 calc R
C23 C 1.0704(8) 0.6225(6) 0.0729(5) 0.083(5) Uiso 1 1 d G
C24 C 1.0485(7) 0.6117(7) 0.1290(7) 0.124(7) Uiso 1 1 d G
H24 H 0.9934 0.6183 0.1306 0.149 Uiso 1 1 calc R
C25 C 1.1089(10) 0.5910(7) 0.1826(5) 0.117(7) Uiso 1 1 d G
H25 H 1.0943 0.5837 0.2202 0.140 Uiso 1 1 calc R
C26 C 1.1913(9) 0.5811(7) 0.1802(5) 0.113(6) Uiso 1 1 d G
H26 H 1.2317 0.5672 0.2161 0.136 Uiso 1 1 calc R
C27 C 1.2132(7) 0.5920(7) 0.1241(7) 0.117(7) Uiso 1 1 d G
H27 H 1.2683 0.5854 0.1225 0.141 Uiso 1 1 calc R
C28 C 1.1528(8) 0.6127(6) 0.0705(5) 0.091(5) Uiso 1 1 d G
H28 H 1.1674 0.6199 0.0330 0.110 Uiso 1 1 calc R
C29 C 1.0284(14) 0.6510(14) -0.0567(9) 0.151(9) Uiso 1 1 d G
C30 C 1.0278(16) 0.5933(10) -0.0922(13) 0.235(17) Uiso 1 1 d G
H30 H 0.9965 0.5526 -0.0862 0.282 Uiso 1 1 calc R
C31 C 1.0739(18) 0.5964(11) -0.1364(11) 0.246(19) Uiso 1 1 d G
H31 H 1.0735 0.5577 -0.1602 0.295 Uiso 1 1 calc R
C32 C 1.1207(15) 0.6572(15) -0.1453(10) 0.171(11) Uiso 1 1 d G
H32 H 1.1516 0.6593 -0.1749 0.205 Uiso 1 1 calc R
C33 C 1.1214(15) 0.7150(11) -0.1098(12) 0.34(3) Uiso 1 1 d G
H33 H 1.1527 0.7557 -0.1157 0.414 Uiso 1 1 calc R
C34 C 1.0752(16) 0.7119(10) -0.0655(10) 0.163(10) Uiso 1 1 d G
H34 H 1.0756 0.7505 -0.0418 0.196 Uiso 1 1 calc R
C35 C 0.9664(11) 0.8014(7) 0.3368(7) 0.071(4) Uiso 1 1 d .
H35A H 0.9011 0.7890 0.3164 0.085 Uiso 1 1 calc R
H35B H 0.9827 0.7754 0.3735 0.085 Uiso 1 1 calc R
C36 C 0.9898(10) 0.8737(7) 0.3649(7) 0.068(4) Uiso 1 1 d .
H36A H 1.0551 0.8869 0.3846 0.082 Uiso 1 1 calc R
H36B H 0.9651 0.8766 0.3998 0.082 Uiso 1 1 calc R
C37 C 1.1367(10) 0.7913(8) 0.3185(7) 0.071(4) Uiso 1 1 d .
H37A H 1.1591 0.8388 0.3298 0.085 Uiso 1 1 calc R
H37B H 1.1503 0.7705 0.3589 0.085 Uiso 1 1 calc R
C38 C 1.1849(10) 0.7663(8) 0.2772(7) 0.071(4) Uiso 1 1 d .
H38A H 1.1408 0.7417 0.2370 0.086 Uiso 1 1 calc R
H38B H 1.2207 0.7362 0.3006 0.086 Uiso 1 1 calc R
C39 C 0.9758(7) 0.6853(4) 0.2692(5) 0.063(3) Uiso 1 1 d G
C40 C 1.0162(7) 0.6479(6) 0.3178(5) 0.095(5) Uiso 1 1 d G
H40 H 1.0653 0.6685 0.3543 0.114 Uiso 1 1 calc R
C41 C 0.9833(9) 0.5797(6) 0.3118(6) 0.120(7) Uiso 1 1 d G
H41 H 1.0104 0.5547 0.3443 0.144 Uiso 1 1 calc R
C42 C 0.9100(10) 0.5490(4) 0.2573(7) 0.126(7) Uiso 1 1 d G
H42 H 0.8880 0.5034 0.2533 0.151 Uiso 1 1 calc R
C43 C 0.8696(8) 0.5864(6) 0.2087(6) 0.126(7) Uiso 1 1 d G
H43 H 0.8205 0.5659 0.1723 0.151 Uiso 1 1 calc R
C44 C 0.9025(7) 0.6546(6) 0.2147(5) 0.092(5) Uiso 1 1 d G
H44 H 0.8754 0.6796 0.1822 0.110 Uiso 1 1 calc R
C45 C 0.8313(6) 0.9071(6) 0.2644(5) 0.075(4) Uiso 1 1 d G
C46 C 0.7941(8) 0.9197(6) 0.1997(5) 0.092(5) Uiso 1 1 d G
H46 H 0.8313 0.9408 0.1782 0.110 Uiso 1 1 calc R
C47 C 0.7013(9) 0.9005(7) 0.1672(5) 0.116(7) Uiso 1 1 d G
H47 H 0.6764 0.9088 0.1239 0.139 Uiso 1 1 calc R
C48 C 0.6457(6) 0.8688(7) 0.1993(7) 0.127(8) Uiso 1 1 d G
H48 H 0.5837 0.8560 0.1775 0.152 Uiso 1 1 calc R
C49 C 0.6829(8) 0.8563(6) 0.2639(7) 0.120(7) Uiso 1 1 d G
H49 H 0.6457 0.8351 0.2854 0.143 Uiso 1 1 calc R
C50 C 0.7757(8) 0.8755(6) 0.2965(5) 0.091(5) Uiso 1 1 d G
H50 H 0.8006 0.8671 0.3397 0.109 Uiso 1 1 calc R
C51 C 0.9560(7) 1.0044(4) 0.3645(4) 0.058(3) Uiso 1 1 d G
C52 C 0.8848(6) 1.0371(5) 0.3530(4) 0.086(5) Uiso 1 1 d G
H52 H 0.8323 1.0222 0.3171 0.103 Uiso 1 1 calc R
C53 C 0.8923(6) 1.0919(5) 0.3952(5) 0.092(5) Uiso 1 1 d G
H53 H 0.8447 1.1138 0.3875 0.110 Uiso 1 1 calc R
C54 C 0.9709(7) 1.1141(4) 0.4489(5) 0.076(4) Uiso 1 1 d G
H54 H 0.9759 1.1508 0.4771 0.091 Uiso 1 1 calc R
C55 C 1.0421(6) 1.0815(5) 0.4604(4) 0.081(4) Uiso 1 1 d G
H55 H 1.0947 1.0964 0.4963 0.097 Uiso 1 1 calc R
C56 C 1.0346(6) 1.0266(5) 0.4182(5) 0.089(5) Uiso 1 1 d G
H56 H 1.0822 1.0048 0.4259 0.106 Uiso 1 1 calc R
C57 C 1.3084(10) 0.7975(7) 0.2058(7) 0.091(5) Uiso 1 1 d G
C58 C 1.2668(9) 0.7915(8) 0.1382(7) 0.126(8) Uiso 1 1 d G
H58 H 1.2160 0.8093 0.1199 0.152 Uiso 1 1 calc R
C59 C 1.3010(12) 0.7590(9) 0.0978(6) 0.170(11) Uiso 1 1 d G
H59 H 1.2732 0.7551 0.0525 0.205 Uiso 1 1 calc R
C60 C 1.3769(13) 0.7325(9) 0.1250(9) 0.149(9) Uiso 1 1 d G
H60 H 1.3998 0.7108 0.0980 0.178 Uiso 1 1 calc R
C61 C 1.4185(10) 0.7385(9) 0.1927(9) 0.163(10) Uiso 1 1 d G
H61 H 1.4693 0.7207 0.2109 0.196 Uiso 1 1 calc R
C62 C 1.3843(10) 0.7709(8) 0.2331(6) 0.141(9) Uiso 1 1 d G
H62 H 1.4121 0.7749 0.2783 0.170 Uiso 1 1 calc R
C63 C 1.3496(8) 0.8698(6) 0.3330(5) 0.080(4) Uiso 1 1 d G
C64 C 1.3649(9) 0.8366(6) 0.3888(7) 0.112(6) Uiso 1 1 d G
H64 H 1.3286 0.7953 0.3875 0.135 Uiso 1 1 calc R
C65 C 1.4344(11) 0.8651(8) 0.4464(6) 0.137(8) Uiso 1 1 d G
H65 H 1.4446 0.8428 0.4837 0.165 Uiso 1 1 calc R
C66 C 1.4886(9) 0.9268(8) 0.4482(6) 0.144(9) Uiso 1 1 d G
H66 H 1.5351 0.9458 0.4867 0.173 Uiso 1 1 calc R
C67 C 1.4734(9) 0.9600(6) 0.3924(8) 0.132(8) Uiso 1 1 d G
H67 H 1.5097 1.0013 0.3936 0.158 Uiso 1 1 calc R
C68 C 1.4039(10) 0.9315(6) 0.3348(6) 0.113(7) Uiso 1 1 d G
H68 H 1.3937 0.9538 0.2975 0.136 Uiso 1 1 calc R
C69 C 1.2369(10) 1.2018(7) 0.3683(7) 0.067(4) Uiso 1 1 d .
H69A H 1.2672 1.2207 0.4135 0.081 Uiso 1 1 calc R
H69B H 1.2515 1.2348 0.3407 0.081 Uiso 1 1 calc R
C70 C 1.1348(10) 1.1870(8) 0.3539(7) 0.074(4) Uiso 1 1 d .
H70A H 1.1226 1.2056 0.3909 0.089 Uiso 1 1 calc R
H70B H 1.1123 1.1393 0.3486 0.089 Uiso 1 1 calc R
C71 C 1.4000(14) 1.1594(11) 0.3734(10) 0.108(6) Uiso 1 1 d .
H71A H 1.4245 1.1770 0.4193 0.129 Uiso 1 1 calc R
H71B H 1.4245 1.1204 0.3700 0.129 Uiso 1 1 calc R
C72 C 1.4402(15) 1.2094(11) 0.3379(10) 0.110(6) Uiso 1 1 d .
H72A H 1.5043 1.2243 0.3623 0.131 Uiso 1 1 calc R
H72B H 1.4126 1.2476 0.3361 0.131 Uiso 1 1 calc R
C73 C 1.2773(7) 1.0806(4) 0.4209(4) 0.063(3) Uiso 1 1 d G
C74 C 1.2675(7) 1.0124(5) 0.4089(4) 0.074(4) Uiso 1 1 d G
H74 H 1.2633 0.9939 0.3680 0.089 Uiso 1 1 calc R
C75 C 1.2639(8) 0.9719(4) 0.4580(6) 0.092(5) Uiso 1 1 d G
H75 H 1.2573 0.9263 0.4500 0.110 Uiso 1 1 calc R
C76 C 1.2702(9) 0.9996(5) 0.5191(5) 0.105(6) Uiso 1 1 d G
H76 H 1.2678 0.9725 0.5520 0.126 Uiso 1 1 calc R
C77 C 1.2800(8) 1.0678(6) 0.5311(4) 0.102(6) Uiso 1 1 d G
H77 H 1.2842 1.0863 0.5720 0.122 Uiso 1 1 calc R
C78 C 1.2836(7) 1.1083(4) 0.4820(5) 0.083(5) Uiso 1 1 d G
H78 H 1.2902 1.1539 0.4901 0.099 Uiso 1 1 calc R
C79 C 0.9550(7) 1.1956(7) 0.2656(6) 0.086(5) Uiso 1 1 d G
C80 C 0.9068(10) 1.1382(6) 0.2238(6) 0.104(6) Uiso 1 1 d G
H80 H 0.9366 1.1131 0.2052 0.124 Uiso 1 1 calc R
C81 C 0.8140(10) 1.1184(7) 0.2098(7) 0.140(9) Uiso 1 1 d G
H81 H 0.7818 1.0800 0.1818 0.168 Uiso 1 1 calc R
C82 C 0.7695(7) 1.1559(9) 0.2376(9) 0.158(10) Uiso 1 1 d G
H82 H 0.7074 1.1426 0.2282 0.190 Uiso 1 1 calc R
C83 C 0.8176(11) 1.2133(9) 0.2794(8) 0.161(10) Uiso 1 1 d G
H83 H 0.7878 1.2384 0.2980 0.194 Uiso 1 1 calc R
C84 C 0.9104(11) 1.2331(6) 0.2934(7) 0.129(8) Uiso 1 1 d G
H84 H 0.9426 1.2715 0.3214 0.155 Uiso 1 1 calc R
C85 C 1.1092(9) 1.3106(6) 0.3009(7) 0.082(5) Uiso 1 1 d G
C86 C 1.1023(11) 1.3494(9) 0.2493(6) 0.155(10) Uiso 1 1 d G
H86 H 1.0833 1.3293 0.2066 0.186 Uiso 1 1 calc R
C87 C 1.1238(13) 1.4182(9) 0.2616(9) 0.207(15) Uiso 1 1 d G
H87 H 1.1191 1.4442 0.2270 0.249 Uiso 1 1 calc R
C88 C 1.1521(12) 1.4483(6) 0.3255(11) 0.155(10) Uiso 1 1 d G
H88 H 1.1665 1.4944 0.3337 0.185 Uiso 1 1 calc R
C89 C 1.1591(11) 1.4095(8) 0.3771(7) 0.147(9) Uiso 1 1 d G
H89 H 1.1781 1.4297 0.4198 0.176 Uiso 1 1 calc R
C90 C 1.1376(10) 1.3407(8) 0.3648(6) 0.122(7) Uiso 1 1 d G
H90 H 1.1423 1.3147 0.3994 0.146 Uiso 1 1 calc R
C91 C 1.4729(15) 1.1109(8) 0.2532(10) 0.127(8) Uiso 1 1 d G
C92 C 1.4253(12) 1.0593(11) 0.2038(9) 0.133(8) Uiso 1 1 d G
H92 H 1.3693 1.0617 0.1741 0.159 Uiso 1 1 calc R
C93 C 1.4616(19) 1.0039(9) 0.1989(12) 0.34(3) Uiso 1 1 d G
H93 H 1.4298 0.9694 0.1659 0.407 Uiso 1 1 calc R
C94 C 1.545(2) 1.0002(12) 0.2434(16) 0.247(19) Uiso 1 1 d G
H94 H 1.5696 0.9632 0.2401 0.297 Uiso 1 1 calc R
C95 C 1.5928(13) 1.0519(16) 0.2927(13) 0.26(2) Uiso 1 1 d G
H95 H 1.6489 1.0494 0.3224 0.313 Uiso 1 1 calc R
C96 C 1.5566(14) 1.1072(12) 0.2976(9) 0.216(15) Uiso 1 1 d G
H96 H 1.5884 1.1417 0.3306 0.259 Uiso 1 1 calc R
C97 C 1.4966(15) 1.2456(12) 0.2312(12) 0.196(6) Uiso 1 1 d G
C98 C 1.5504(17) 1.2354(10) 0.1945(11) 0.196(6) Uiso 1 1 d G
H98 H 1.5513 1.1924 0.1805 0.235 Uiso 1 1 calc R
C99 C 1.6028(14) 1.2894(14) 0.1787(10) 0.196(6) Uiso 1 1 d G
H99 H 1.6388 1.2826 0.1541 0.235 Uiso 1 1 calc R
C100 C 1.6015(14) 1.3537(11) 0.1995(11) 0.196(6) Uiso 1 1 d G
H100 H 1.6365 1.3898 0.1889 0.235 Uiso 1 1 calc R
C101 C 1.5476(17) 1.3639(10) 0.2362(11) 0.196(6) Uiso 1 1 d G
H101 H 1.5467 1.4068 0.2502 0.235 Uiso 1 1 calc R
C102 C 1.4952(15) 1.3098(15) 0.2520(10) 0.196(6) Uiso 1 1 d G
H102 H 1.4592 1.3166 0.2766 0.235 Uiso 1 1 calc R
P1 P 0.7403(3) 0.63370(19) -0.0808(2) 0.0687(10) Uani 1 1 d .
P2 P 0.6488(3) 0.7429(2) 0.0247(2) 0.0669(10) Uani 1 1 d .
P3 P 0.9928(4) 0.6545(3) 0.0068(3) 0.1067(19) Uani 1 1 d .
P4 P 1.0145(3) 0.77441(17) 0.27756(16) 0.0555(8) Uani 1 1 d .
P5 P 0.9506(3) 0.93488(18) 0.30782(18) 0.0613(9) Uani 1 1 d .
P6 P 1.2594(3) 0.8357(2) 0.2569(2) 0.0699(10) Uani 1 1 d .
P7 P 1.0752(3) 1.2218(2) 0.2798(2) 0.0722(11) Uani 1 1 d .
P8 P 1.2804(2) 1.12997(19) 0.35478(16) 0.0582(9) Uani 1 1 d .
P9 P 1.4249(3) 1.1763(4) 0.2513(3) 0.119(2) Uani 1 1 d .
P10 P 0.6819(4) 0.4458(3) 0.0520(3) 0.1024(16) Uiso 1 1 d D
P11 P 0.7805(6) 0.7150(5) 0.4328(4) 0.171(3) Uiso 1 1 d D
P12 P 1.2334(6) 0.7714(4) 0.5287(4) 0.157(3) Uiso 1 1 d D
S1 S 0.8613(3) 0.84817(17) -0.10105(15) 0.0614(9) Uani 1 1 d .
S2 S 0.9437(2) 0.85198(15) 0.07590(15) 0.0545(8) Uani 1 1 d .
S3 S 1.1066(3) 0.99460(16) 0.16762(15) 0.0591(8) Uani 1 1 d .
F1 F 0.7269(7) 0.4391(6) 0.1268(5) 0.136(4) Uiso 1 1 d D
F2 F 0.7786(7) 0.4579(6) 0.0453(6) 0.154(5) Uiso 1 1 d D
F3 F 0.6955(8) 0.5232(5) 0.0686(6) 0.155(5) Uiso 1 1 d D
F4 F 0.5864(8) 0.4356(7) 0.0599(7) 0.201(7) Uiso 1 1 d D
F5 F 0.6682(10) 0.3697(6) 0.0339(7) 0.216(8) Uiso 1 1 d D
F6 F 0.6392(8) 0.4548(6) -0.0232(5) 0.150(5) Uiso 1 1 d D
F7 F 0.8795(13) 0.7333(14) 0.4899(10) 0.42(2) Uiso 1 1 d D
F8 F 0.7940(18) 0.7913(9) 0.4157(13) 0.41(2) Uiso 1 1 d D
F9 F 0.7334(14) 0.7337(11) 0.4849(9) 0.271(11) Uiso 1 1 d D
F10 F 0.7692(17) 0.6389(9) 0.4512(11) 0.328(15) Uiso 1 1 d D
F11 F 0.8270(15) 0.6959(11) 0.3805(10) 0.304(13) Uiso 1 1 d D
F12 F 0.6816(12) 0.6966(13) 0.3766(10) 0.360(17) Uiso 1 1 d D
F13 F 1.1719(14) 0.8157(10) 0.4835(10) 0.273(11) Uiso 1 1 d D
F14 F 1.1639(15) 0.7594(12) 0.5667(11) 0.333(15) Uiso 1 1 d D
F15 F 1.2869(15) 0.8355(10) 0.5780(11) 0.339(15) Uiso 1 1 d D
F16 F 1.3003(16) 0.7846(14) 0.4903(13) 0.48(3) Uiso 1 1 d D
F17 F 1.1768(17) 0.7086(10) 0.4797(12) 0.41(2) Uiso 1 1 d D
F18 F 1.2920(17) 0.7280(12) 0.5736(12) 0.42(2) Uiso 1 1 d D
O1 O 1.119(2) 0.9679(18) -0.0152(17) 0.308(16) Uiso 1 1 d .
Au1 Au 0.80580(4) 0.73962(3) -0.08556(2) 0.05557(14) Uani 1 1 d .
Au2 Au 0.79492(4) 0.79548(3) 0.04794(3) 0.05941(15) Uani 1 1 d .
Au3 Au 0.96364(4) 0.75048(3) 0.03991(3) 0.06206(15) Uani 1 1 d .
Au4 Au 0.97980(4) 0.81745(3) 0.18009(2) 0.05290(14) Uani 1 1 d .
Au5 Au 1.02859(4) 0.96189(3) 0.23928(2) 0.05705(14) Uani 1 1 d .
Au6 Au 1.18244(4) 0.91280(3) 0.21137(3) 0.06285(15) Uani 1 1 d .
Au7 Au 1.19947(4) 1.06980(3) 0.25737(2) 0.05795(15) Uani 1 1 d .
Au8 Au 1.10876(4) 1.18771(3) 0.19229(3) 0.06074(15) Uani 1 1 d .
Au9 Au 1.28218(4) 1.16257(3) 0.17905(3) 0.06568(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'
Au Au -2.0133 8.8022 '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'
F F 0.0171 0.0103 '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'
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
C2 C1 P1 112.7(12) . .
C2 C1 H1A 109.1 . .
P1 C1 H1A 109.1 . .
C2 C1 H1B 109.1 . .
P1 C1 H1B 109.1 . .
H1A C1 H1B 107.8 . .
C1 C2 P2 110.7(12) . .
C1 C2 H2A 109.5 . .
P2 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
P2 C2 H2B 109.5 . .
H2A C2 H2B 108.1 . .
C4 C3 P1 119(3) . .
C4 C3 H3A 107.5 . .
P1 C3 H3A 107.5 . .
C4 C3 H3B 107.5 . .
P1 C3 H3B 107.5 . .
H3A C3 H3B 107.0 . .
C3 C4 P3 126(4) . .
C3 C4 H4A 105.8 . .
P3 C4 H4A 105.8 . .
C3 C4 H4B 105.8 . .
P3 C4 H4B 105.8 . .
H4A C4 H4B 106.2 . .
C6 C5 C10 120.0 . .
C6 C5 P1 122.6(16) . .
C10 C5 P1 117.4(16) . .
C5 C6 C7 120.0 . .
C5 C6 H6 120.0 . .
C7 C6 H6 120.0 . .
C8 C7 C6 120.0 . .
C8 C7 H7 120.0 . .
C6 C7 H7 120.0 . .
C9 C8 C7 120.0 . .
C9 C8 H8 120.0 . .
C7 C8 H8 120.0 . .
C8 C9 C10 120.0 . .
C8 C9 H9 120.0 . .
C10 C9 H9 120.0 . .
C9 C10 C5 120.0 . .
C9 C10 H10 120.0 . .
C5 C10 H10 120.0 . .
C12 C11 C16 120.0 . .
C12 C11 P2 120.8(9) . .
C16 C11 P2 119.1(9) . .
C13 C12 C11 120.0 . .
C13 C12 H12 120.0 . .
C11 C12 H12 120.0 . .
C14 C13 C12 120.0 . .
C14 C13 H13 120.0 . .
C12 C13 H13 120.0 . .
C13 C14 C15 120.0 . .
C13 C14 H14 120.0 . .
C15 C14 H14 120.0 . .
C14 C15 C16 120.0 . .
C14 C15 H15 120.0 . .
C16 C15 H15 120.0 . .
C15 C16 C11 120.0 . .
C15 C16 H16 120.0 . .
C11 C16 H16 120.0 . .
C18 C17 C22 120.0 . .
C18 C17 P2 122.5(7) . .
C22 C17 P2 117.5(7) . .
C19 C18 C17 120.0 . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C18 C19 C20 120.0 . .
C18 C19 H19 120.0 . .
C20 C19 H19 120.0 . .
C19 C20 C21 120.0 . .
C19 C20 H20 120.0 . .
C21 C20 H20 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21 120.0 . .
C20 C21 H21 120.0 . .
C21 C22 C17 120.0 . .
C21 C22 H22 120.0 . .
C17 C22 H22 120.0 . .
C24 C23 C28 120.0 . .
C24 C23 P3 118.1(8) . .
C28 C23 P3 121.8(8) . .
C23 C24 C25 120.0 . .
C23 C24 H24 120.0 . .
C25 C24 H24 120.0 . .
C26 C25 C24 120.0 . .
C26 C25 H25 120.0 . .
C24 C25 H25 120.0 . .
C25 C26 C27 120.0 . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
C26 C27 C28 120.0 . .
C26 C27 H27 120.0 . .
C28 C27 H27 120.0 . .
C27 C28 C23 120.0 . .
C27 C28 H28 120.0 . .
C23 C28 H28 120.0 . .
C30 C29 C34 120.0 . .
C30 C29 P3 125.6(18) . .
C34 C29 P3 113.5(18) . .
C29 C30 C31 120.0 . .
C29 C30 H30 120.0 . .
C31 C30 H30 120.0 . .
C32 C31 C30 120.0 . .
C32 C31 H31 120.0 . .
C30 C31 H31 120.0 . .
C31 C32 C33 120.0 . .
C31 C32 H32 120.0 . .
C33 C32 H32 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33 120.0 . .
C34 C33 H33 120.0 . .
C33 C34 C29 120.0 . .
C33 C34 H34 120.0 . .
C29 C34 H34 120.0 . .
C36 C35 P4 120.7(11) . .
C36 C35 H35A 107.2 . .
P4 C35 H35A 107.2 . .
C36 C35 H35B 107.2 . .
P4 C35 H35B 107.2 . .
H35A C35 H35B 106.8 . .
C35 C36 P5 117.5(10) . .
C35 C36 H36A 107.9 . .
P5 C36 H36A 107.9 . .
C35 C36 H36B 107.9 . .
P5 C36 H36B 107.9 . .
H36A C36 H36B 107.2 . .
C38 C37 P4 112.8(11) . .
C38 C37 H37A 109.0 . .
P4 C37 H37A 109.0 . .
C38 C37 H37B 109.0 . .
P4 C37 H37B 109.0 . .
H37A C37 H37B 107.8 . .
C37 C38 P6 111.0(11) . .
C37 C38 H38A 109.4 . .
P6 C38 H38A 109.4 . .
C37 C38 H38B 109.4 . .
P6 C38 H38B 109.4 . .
H38A C38 H38B 108.0 . .
C40 C39 C44 120.0 . .
C40 C39 P4 120.7(7) . .
C44 C39 P4 119.2(7) . .
C39 C40 C41 120.0 . .
C39 C40 H40 120.0 . .
C41 C40 H40 120.0 . .
C40 C41 C42 120.0 . .
C40 C41 H41 120.0 . .
C42 C41 H41 120.0 . .
C41 C42 C43 120.0 . .
C41 C42 H42 120.0 . .
C43 C42 H42 120.0 . .
C44 C43 C42 120.0 . .
C44 C43 H43 120.0 . .
C42 C43 H43 120.0 . .
C43 C44 C39 120.0 . .
C43 C44 H44 120.0 . .
C39 C44 H44 120.0 . .
C46 C45 C50 120.0 . .
C46 C45 P5 120.2(7) . .
C50 C45 P5 119.7(7) . .
C47 C46 C45 120.0 . .
C47 C46 H46 120.0 . .
C45 C46 H46 120.0 . .
C46 C47 C48 120.0 . .
C46 C47 H47 120.0 . .
C48 C47 H47 120.0 . .
C47 C48 C49 120.0 . .
C47 C48 H48 120.0 . .
C49 C48 H48 120.0 . .
C50 C49 C48 120.0 . .
C50 C49 H49 120.0 . .
C48 C49 H49 120.0 . .
C49 C50 C45 120.0 . .
C49 C50 H50 120.0 . .
C45 C50 H50 120.0 . .
C52 C51 C56 120.0 . .
C52 C51 P5 121.1(6) . .
C56 C51 P5 118.9(6) . .
C51 C52 C53 120.0 . .
C51 C52 H52 120.0 . .
C53 C52 H52 120.0 . .
C52 C53 C54 120.0 . .
C52 C53 H53 120.0 . .
C54 C53 H53 120.0 . .
C55 C54 C53 120.0 . .
C55 C54 H54 120.0 . .
C53 C54 H54 120.0 . .
C54 C55 C56 120.0 . .
C54 C55 H55 120.0 . .
C56 C55 H55 120.0 . .
C55 C56 C51 120.0 . .
C55 C56 H56 120.0 . .
C51 C56 H56 120.0 . .
C58 C57 C62 120.0 . .
C58 C57 P6 119.0(10) . .
C62 C57 P6 120.9(10) . .
C57 C58 C59 120.0 . .
C57 C58 H58 120.0 . .
C59 C58 H58 120.0 . .
C58 C59 C60 120.0 . .
C58 C59 H59 120.0 . .
C60 C59 H59 120.0 . .
C61 C60 C59 120.0 . .
C61 C60 H60 120.0 . .
C59 C60 H60 120.0 . .
C62 C61 C60 120.0 . .
C62 C61 H61 120.0 . .
C60 C61 H61 120.0 . .
C61 C62 C57 120.0 . .
C61 C62 H62 120.0 . .
C57 C62 H62 120.0 . .
C64 C63 C68 120.0 . .
C64 C63 P6 122.0(8) . .
C68 C63 P6 118.0(8) . .
C65 C64 C63 120.0 . .
C65 C64 H64 120.0 . .
C63 C64 H64 120.0 . .
C64 C65 C66 120.0 . .
C64 C65 H65 120.0 . .
C66 C65 H65 120.0 . .
C65 C66 C67 120.0 . .
C65 C66 H66 120.0 . .
C67 C66 H66 120.0 . .
C68 C67 C66 120.0 . .
C68 C67 H67 120.0 . .
C66 C67 H67 120.0 . .
C67 C68 C63 120.0 . .
C67 C68 H68 120.0 . .
C63 C68 H68 120.0 . .
C70 C69 P8 114.1(11) . .
C70 C69 H69A 108.7 . .
P8 C69 H69A 108.7 . .
C70 C69 H69B 108.7 . .
P8 C69 H69B 108.7 . .
H69A C69 H69B 107.6 . .
C69 C70 P7 111.8(11) . .
C69 C70 H70A 109.3 . .
P7 C70 H70A 109.3 . .
C69 C70 H70B 109.3 . .
P7 C70 H70B 109.3 . .
H70A C70 H70B 107.9 . .
C72 C71 P8 124.2(16) . .
C72 C71 H71A 106.3 . .
P8 C71 H71A 106.3 . .
C72 C71 H71B 106.3 . .
P8 C71 H71B 106.3 . .
H71A C71 H71B 106.4 . .
C71 C72 P9 113.2(15) . .
C71 C72 H72A 108.9 . .
P9 C72 H72A 108.9 . .
C71 C72 H72B 108.9 . .
P9 C72 H72B 108.9 . .
H72A C72 H72B 107.7 . .
C74 C73 C78 120.0 . .
C74 C73 P8 117.6(6) . .
C78 C73 P8 122.4(6) . .
C75 C74 C73 120.0 . .
C75 C74 H74 120.0 . .
C73 C74 H74 120.0 . .
C74 C75 C76 120.0 . .
C74 C75 H75 120.0 . .
C76 C75 H75 120.0 . .
C77 C76 C75 120.0 . .
C77 C76 H76 120.0 . .
C75 C76 H76 120.0 . .
C78 C77 C76 120.0 . .
C78 C77 H77 120.0 . .
C76 C77 H77 120.0 . .
C77 C78 C73 120.0 . .
C77 C78 H78 120.0 . .
C73 C78 H78 120.0 . .
C80 C79 C84 120.0 . .
C80 C79 P7 118.7(9) . .
C84 C79 P7 121.3(9) . .
C79 C80 C81 120.0 . .
C79 C80 H80 120.0 . .
C81 C80 H80 120.0 . .
C82 C81 C80 120.0 . .
C82 C81 H81 120.0 . .
C80 C81 H81 120.0 . .
C81 C82 C83 120.0 . .
C81 C82 H82 120.0 . .
C83 C82 H82 120.0 . .
C84 C83 C82 120.0 . .
C84 C83 H83 120.0 . .
C82 C83 H83 120.0 . .
C83 C84 C79 120.0 . .
C83 C84 H84 120.0 . .
C79 C84 H84 120.0 . .
C86 C85 C90 120.0 . .
C86 C85 P7 116.8(10) . .
C90 C85 P7 123.2(10) . .
C85 C86 C87 120.0 . .
C85 C86 H86 120.0 . .
C87 C86 H86 120.0 . .
C88 C87 C86 120.0 . .
C88 C87 H87 120.0 . .
C86 C87 H87 120.0 . .
C89 C88 C87 120.0 . .
C89 C88 H88 120.0 . .
C87 C88 H88 120.0 . .
C90 C89 C88 120.0 . .
C90 C89 H89 120.0 . .
C88 C89 H89 120.0 . .
C89 C90 C85 120.0 . .
C89 C90 H90 120.0 . .
C85 C90 H90 120.0 . .
C92 C91 C96 120.0 . .
C92 C91 P9 115.4(16) . .
C96 C91 P9 124.5(16) . .
C91 C92 C93 120.0 . .
C91 C92 H92 120.0 . .
C93 C92 H92 120.0 . .
C94 C93 C92 120.0 . .
C94 C93 H93 120.0 . .
C92 C93 H93 120.0 . .
C93 C94 C95 120.0 . .
C93 C94 H94 120.0 . .
C95 C94 H94 120.0 . .
C96 C95 C94 120.0 . .
C96 C95 H95 120.0 . .
C94 C95 H95 120.0 . .
C95 C96 C91 120.0 . .
C95 C96 H96 120.0 . .
C91 C96 H96 120.0 . .
C98 C97 C102 120.0 . .
C98 C97 P9 121.4(19) . .
C102 C97 P9 118.6(19) . .
C99 C98 C97 120.0 . .
C99 C98 H98 120.0 . .
C97 C98 H98 120.0 . .
C98 C99 C100 120.0 . .
C98 C99 H99 120.0 . .
C100 C99 H99 120.0 . .
C101 C100 C99 120.0 . .
C101 C100 H100 120.0 . .
C99 C100 H100 120.0 . .
C100 C101 C102 120.0 . .
C100 C101 H101 120.0 . .
C102 C101 H101 120.0 . .
C101 C102 C97 120.0 . .
C101 C102 H102 120.0 . .
C97 C102 H102 120.0 . .
C5 P1 C1 110.2(9) . .
C5 P1 C3 107.4(11) . .
C1 P1 C3 100.6(11) . .
C5 P1 Au1 112.1(8) . .
C1 P1 Au1 112.6(6) . .
C3 P1 Au1 113.1(10) . .
C2 P2 C11 105.2(7) . .
C2 P2 C17 104.8(7) . .
C11 P2 C17 109.6(6) . .
C2 P2 Au2 113.5(6) . .
C11 P2 Au2 112.5(5) . .
C17 P2 Au2 110.8(4) . .
C29 P3 C4 86.3(16) . .
C29 P3 C23 106.9(9) . .
C4 P3 C23 112.7(15) . .
C29 P3 Au3 119.7(10) . .
C4 P3 Au3 116.6(14) . .
C23 P3 Au3 112.2(5) . .
C39 P4 C37 106.4(6) . .
C39 P4 C35 101.7(6) . .
C37 P4 C35 106.9(7) . .
C39 P4 Au4 113.0(4) . .
C37 P4 Au4 110.3(5) . .
C35 P4 Au4 117.6(5) . .
C45 P5 C51 103.1(5) . .
C45 P5 C36 108.9(6) . .
C51 P5 C36 101.5(6) . .
C45 P5 Au5 112.0(4) . .
C51 P5 Au5 114.1(4) . .
C36 P5 Au5 116.0(5) . .
C57 P6 C63 107.2(7) . .
C57 P6 C38 105.0(7) . .
C63 P6 C38 106.2(7) . .
C57 P6 Au6 114.9(5) . .
C63 P6 Au6 111.7(5) . .
C38 P6 Au6 111.2(5) . .
C85 P7 C79 109.3(6) . .
C85 P7 C70 104.8(7) . .
C79 P7 C70 107.0(7) . .
C85 P7 Au8 112.7(5) . .
C79 P7 Au8 110.9(5) . .
C70 P7 Au8 111.8(5) . .
C71 P8 C73 102.0(8) . .
C71 P8 C69 106.1(9) . .
C73 P8 C69 106.2(6) . .
C71 P8 Au7 118.3(7) . .
C73 P8 Au7 110.3(4) . .
C69 P8 Au7 112.8(5) . .
C91 P9 C97 107.4(12) . .
C91 P9 C72 109.8(10) . .
C97 P9 C72 99.1(11) . .
C91 P9 Au9 115.6(9) . .
C97 P9 Au9 108.7(7) . .
C72 P9 Au9 114.7(7) . .
F5 P10 F1 91.6(6) . .
F5 P10 F4 91.0(6) . .
F1 P10 F4 90.4(6) . .
F5 P10 F2 90.5(6) . .
F1 P10 F2 89.1(5) . .
F4 P10 F2 178.4(7) . .
F5 P10 F3 178.6(7) . .
F1 P10 F3 89.8(5) . .
F4 P10 F3 89.4(6) . .
F2 P10 F3 89.1(6) . .
F5 P10 F6 89.9(6) . .
F1 P10 F6 178.0(7) . .
F4 P10 F6 91.0(6) . .
F2 P10 F6 89.6(6) . .
F3 P10 F6 88.7(6) . .
F12 P11 F8 90.9(7) . .
F12 P11 F9 89.0(7) . .
F8 P11 F9 90.1(7) . .
F12 P11 F11 90.8(7) . .
F8 P11 F11 90.2(7) . .
F9 P11 F11 179.6(9) . .
F12 P11 F7 179.4(10) . .
F8 P11 F7 89.5(7) . .
F9 P11 F7 90.6(7) . .
F11 P11 F7 89.7(7) . .
F12 P11 F10 90.5(7) . .
F8 P11 F10 178.7(10) . .
F9 P11 F10 89.9(7) . .
F11 P11 F10 89.8(7) . .
F7 P11 F10 89.2(7) . .
F16 P12 F18 91.0(8) . .
F16 P12 F17 90.7(8) . .
F18 P12 F17 90.5(8) . .
F16 P12 F15 90.9(8) . .
F18 P12 F15 91.0(8) . .
F17 P12 F15 177.7(9) . .
F16 P12 F14 178.4(9) . .
F18 P12 F14 90.5(8) . .
F17 P12 F14 89.5(8) . .
F15 P12 F14 88.9(7) . .
F16 P12 F13 90.2(7) . .
F18 P12 F13 178.8(9) . .
F17 P12 F13 89.4(7) . .
F15 P12 F13 89.0(7) . .
F14 P12 F13 88.2(7) . .
Au8 S1 Au1 91.64(13) 2_775 .
Au8 S1 Au9 81.20(11) 2_775 2_775
Au1 S1 Au9 83.91(12) . 2_775
Au2 S2 Au3 83.08(11) . .
Au2 S2 Au4 91.51(12) . .
Au3 S2 Au4 87.36(11) . .
Au6 S3 Au7 90.08(12) . .
Au6 S3 Au5 82.04(10) . .
Au7 S3 Au5 82.78(11) . .
P1 Au1 S1 173.97(14) . .
P1 Au1 Au3 95.81(12) . .
S1 Au1 Au3 90.21(9) . .
P1 Au1 Au9 126.16(12) . 2_775
S1 Au1 Au9 48.06(9) . 2_775
Au3 Au1 Au9 136.44(3) . 2_775
P1 Au1 Au2 95.07(10) . .
S1 Au1 Au2 88.26(9) . .
Au3 Au1 Au2 59.76(2) . .
Au9 Au1 Au2 100.93(3) 2_775 .
P1 Au1 Au8 133.07(10) . 2_775
S1 Au1 Au8 44.02(9) . 2_775
Au3 Au1 Au8 105.83(3) . 2_775
Au9 Au1 Au8 55.83(2) 2_775 2_775
Au2 Au1 Au8 131.83(3) . 2_775
P2 Au2 S2 177.30(13) . .
P2 Au2 Au3 133.61(11) . .
S2 Au2 Au3 48.55(9) . .
P2 Au2 Au1 94.14(11) . .
S2 Au2 Au1 88.52(9) . .
Au3 Au2 Au1 57.92(2) . .
P2 Au2 Au4 134.14(11) . .
S2 Au2 Au4 44.33(8) . .
Au3 Au2 Au4 60.04(2) . .
Au1 Au2 Au4 117.74(3) . .
P3 Au3 S2 176.28(19) . .
P3 Au3 Au1 90.80(13) . .
S2 Au3 Au1 91.78(8) . .
P3 Au3 Au2 135.35(17) . .
S2 Au3 Au2 48.37(9) . .
Au1 Au3 Au2 62.32(2) . .
P3 Au3 Au4 133.23(15) . .
S2 Au3 Au4 46.33(8) . .
Au1 Au3 Au4 125.88(3) . .
Au2 Au3 Au4 63.81(3) . .
P4 Au4 S2 174.75(12) . .
P4 Au4 Au5 95.35(9) . .
S2 Au4 Au5 89.77(8) . .
P4 Au4 Au3 128.50(9) . .
S2 Au4 Au3 46.31(8) . .
Au5 Au4 Au3 132.24(3) . .
P4 Au4 Au6 95.24(10) . .
S2 Au4 Au6 86.54(9) . .
Au5 Au4 Au6 57.38(2) . .
Au3 Au4 Au6 95.99(3) . .
P4 Au4 Au2 134.23(10) . .
S2 Au4 Au2 44.16(8) . .
Au5 Au4 Au2 108.91(3) . .
Au3 Au4 Au2 56.15(2) . .
Au6 Au4 Au2 130.52(3) . .
P5 Au5 S3 177.21(13) . .
P5 Au5 Au4 90.56(10) . .
S3 Au5 Au4 91.58(9) . .
P5 Au5 Au6 134.08(10) . .
S3 Au5 Au6 48.62(9) . .
Au4 Au5 Au6 65.46(2) . .
P5 Au5 Au7 130.79(10) . .
S3 Au5 Au7 48.39(8) . .
Au4 Au5 Au7 129.52(3) . .
Au6 Au5 Au7 64.65(2) . .
P6 Au6 S3 178.05(14) . .
P6 Au6 Au5 130.42(11) . .
S3 Au6 Au5 49.34(9) . .
P6 Au6 Au7 132.97(11) . .
S3 Au6 Au7 45.07(8) . .
Au5 Au6 Au7 58.10(2) . .
P6 Au6 Au4 95.41(11) . .
S3 Au6 Au4 85.91(9) . .
Au5 Au6 Au4 57.16(2) . .
Au7 Au6 Au4 114.83(3) . .
P8 Au7 S3 170.05(12) . .
P8 Au7 Au9 94.74(9) . .
S3 Au7 Au9 95.18(8) . .
P8 Au7 Au5 121.95(9) . .
S3 Au7 Au5 48.83(8) . .
Au9 Au7 Au5 140.19(3) . .
P8 Au7 Au8 95.02(10) . .
S3 Au7 Au8 90.89(9) . .
Au9 Au7 Au8 58.03(2) . .
Au5 Au7 Au8 100.33(3) . .
P8 Au7 Au6 129.39(10) . .
S3 Au7 Au6 44.84(9) . .
Au9 Au7 Au6 112.56(3) . .
Au5 Au7 Au6 57.25(2) . .
Au8 Au7 Au6 135.52(3) . .
P7 Au8 S1 178.34(16) . 2_775
P7 Au8 Au9 131.99(12) . .
S1 Au8 Au9 49.61(10) 2_775 .
P7 Au8 Au7 96.01(10) . .
S1 Au8 Au7 84.63(9) 2_775 .
Au9 Au8 Au7 57.83(2) . .
P7 Au8 Au1 136.26(12) . 2_775
S1 Au8 Au1 44.34(8) 2_775 2_775
Au9 Au8 Au1 58.47(2) . 2_775
Au7 Au8 Au1 115.21(3) . 2_775
P9 Au9 S1 176.88(15) . 2_775
P9 Au9 Au7 94.21(13) . .
S1 Au9 Au7 88.89(8) 2_775 .
P9 Au9 Au8 132.77(15) . .
S1 Au9 Au8 49.19(9) 2_775 .
Au7 Au9 Au8 64.14(2) . .
P9 Au9 Au1 129.47(18) . 2_775
S1 Au9 Au1 48.03(8) 2_775 2_775
Au7 Au9 Au1 128.42(3) . 2_775
Au8 Au9 Au1 65.71(2) . 2_775
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.51(2) .
C1 P1 1.837(16) .
C1 H1A 0.9700 .
C1 H1B 0.9700 .
C2 P2 1.796(16) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.19(4) .
C3 P1 1.91(3) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 P3 1.76(4) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.3900 .
C5 C10 1.3900 .
C5 P1 1.788(17) .
C6 C7 1.3900 .
C6 H6 0.9300 .
C7 C8 1.3900 .
C7 H7 0.9300 .
C8 C9 1.3900 .
C8 H8 0.9300 .
C9 C10 1.3900 .
C9 H9 0.9300 .
C10 H10 0.9300 .
C11 C12 1.3900 .
C11 C16 1.3900 .
C11 P2 1.802(11) .
C12 C13 1.3900 .
C12 H12 0.9300 .
C13 C14 1.3900 .
C13 H13 0.9300 .
C14 C15 1.3900 .
C14 H14 0.9300 .
C15 C16 1.3900 .
C15 H15 0.9300 .
C16 H16 0.9300 .
C17 C18 1.3900 .
C17 C22 1.3900 .
C17 P2 1.815(9) .
C18 C19 1.3900 .
C18 H18 0.9300 .
C19 C20 1.3900 .
C19 H19 0.9300 .
C20 C21 1.3900 .
C20 H20 0.9300 .
C21 C22 1.3900 .
C21 H21 0.9300 .
C22 H22 0.9300 .
C23 C24 1.3900 .
C23 C28 1.3900 .
C23 P3 1.805(10) .
C24 C25 1.3900 .
C24 H24 0.9300 .
C25 C26 1.3900 .
C25 H25 0.9300 .
C26 C27 1.3900 .
C26 H26 0.9300 .
C27 C28 1.3900 .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C30 1.3900 .
C29 C34 1.3900 .
C29 P3 1.662(17) .
C30 C31 1.3900 .
C30 H30 0.9300 .
C31 C32 1.3900 .
C31 H31 0.9300 .
C32 C33 1.3900 .
C32 H32 0.9300 .
C33 C34 1.3900 .
C33 H33 0.9300 .
C34 H34 0.9300 .
C35 C36 1.52(2) .
C35 P4 1.823(14) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 P5 1.853(15) .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.496(19) .
C37 P4 1.822(15) .
C37 H37A 0.9700 .
C37 H37B 0.9700 .
C38 P6 1.850(16) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.3900 .
C39 C44 1.3900 .
C39 P4 1.806(9) .
C40 C41 1.3900 .
C40 H40 0.9300 .
C41 C42 1.3900 .
C41 H41 0.9300 .
C42 C43 1.3900 .
C42 H42 0.9300 .
C43 C44 1.3900 .
C43 H43 0.9300 .
C44 H44 0.9300 .
C45 C46 1.3900 .
C45 C50 1.3900 .
C45 P5 1.798(10) .
C46 C47 1.3900 .
C46 H46 0.9300 .
C47 C48 1.3900 .
C47 H47 0.9300 .
C48 C49 1.3900 .
C48 H48 0.9300 .
C49 C50 1.3900 .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 C52 1.3900 .
C51 C56 1.3900 .
C51 P5 1.825(8) .
C52 C53 1.3900 .
C52 H52 0.9300 .
C53 C54 1.3900 .
C53 H53 0.9300 .
C54 C55 1.3900 .
C54 H54 0.9300 .
C55 C56 1.3900 .
C55 H55 0.9300 .
C56 H56 0.9300 .
C57 C58 1.3900 .
C57 C62 1.3900 .
C57 P6 1.792(12) .
C58 C59 1.3900 .
C58 H58 0.9300 .
C59 C60 1.3900 .
C59 H59 0.9300 .
C60 C61 1.3900 .
C60 H60 0.9300 .
C61 C62 1.3900 .
C61 H61 0.9300 .
C62 H62 0.9300 .
C63 C64 1.3900 .
C63 C68 1.3900 .
C63 P6 1.810(11) .
C64 C65 1.3900 .
C64 H64 0.9300 .
C65 C66 1.3900 .
C65 H65 0.9300 .
C66 C67 1.3900 .
C66 H66 0.9300 .
C67 C68 1.3900 .
C67 H67 0.9300 .
C68 H68 0.9300 .
C69 C70 1.53(2) .
C69 P8 1.804(14) .
C69 H69A 0.9700 .
C69 H69B 0.9700 .
C70 P7 1.833(15) .
C70 H70A 0.9700 .
C70 H70B 0.9700 .
C71 C72 1.49(3) .
C71 P8 1.80(2) .
C71 H71A 0.9700 .
C71 H71B 0.9700 .
C72 P9 1.90(2) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C73 C74 1.3900 .
C73 C78 1.3900 .
C73 P8 1.802(8) .
C74 C75 1.3900 .
C74 H74 0.9300 .
C75 C76 1.3900 .
C75 H75 0.9300 .
C76 C77 1.3900 .
C76 H76 0.9300 .
C77 C78 1.3900 .
C77 H77 0.9300 .
C78 H78 0.9300 .
C79 C80 1.3900 .
C79 C84 1.3900 .
C79 P7 1.817(12) .
C80 C81 1.3900 .
C80 H80 0.9300 .
C81 C82 1.3900 .
C81 H81 0.9300 .
C82 C83 1.3900 .
C82 H82 0.9300 .
C83 C84 1.3900 .
C83 H83 0.9300 .
C84 H84 0.9300 .
C85 C86 1.3900 .
C85 C90 1.3900 .
C85 P7 1.804(12) .
C86 C87 1.3900 .
C86 H86 0.9300 .
C87 C88 1.3900 .
C87 H87 0.9300 .
C88 C89 1.3900 .
C88 H88 0.9300 .
C89 C90 1.3900 .
C89 H89 0.9300 .
C90 H90 0.9300 .
C91 C92 1.3900 .
C91 C96 1.3900 .
C91 P9 1.669(17) .
C92 C93 1.3900 .
C92 H92 0.9300 .
C93 C94 1.3900 .
C93 H93 0.9300 .
C94 C95 1.3900 .
C94 H94 0.9300 .
C95 C96 1.3900 .
C95 H95 0.9300 .
C96 H96 0.9300 .
C97 C98 1.3900 .
C97 C102 1.3900 .
C97 P9 1.820(19) .
C98 C99 1.3900 .
C98 H98 0.9300 .
C99 C100 1.3900 .
C99 H99 0.9300 .
C100 C101 1.3900 .
C100 H100 0.9300 .
C101 C102 1.3900 .
C101 H101 0.9300 .
C102 H102 0.9300 .
P1 Au1 2.260(4) .
P2 Au2 2.266(4) .
P3 Au3 2.262(5) .
P4 Au4 2.268(3) .
P5 Au5 2.262(4) .
P6 Au6 2.254(4) .
P7 Au8 2.262(4) .
P8 Au7 2.256(4) .
P9 Au9 2.266(5) .
P10 F5 1.559(11) .
P10 F1 1.570(10) .
P10 F4 1.572(11) .
P10 F2 1.577(10) .
P10 F3 1.582(10) .
P10 F6 1.585(10) .
P11 F12 1.615(15) .
P11 F8 1.621(16) .
P11 F9 1.623(15) .
P11 F11 1.624(15) .
P11 F7 1.627(16) .
P11 F10 1.628(15) .
P12 F16 1.554(16) .
P12 F18 1.554(16) .
P12 F17 1.567(16) .
P12 F15 1.577(16) .
P12 F14 1.581(16) .
P12 F13 1.594(15) .
S1 Au8 2.315(3) 2_775
S1 Au1 2.328(3) .
S1 Au9 2.329(4) 2_775
S2 Au2 2.314(3) .
S2 Au3 2.321(3) .
S2 Au4 2.322(3) .
S3 Au6 2.317(4) .
S3 Au7 2.326(3) .
S3 Au5 2.342(3) .
Au1 Au3 3.0145(11) .
Au1 Au9 3.1137(10) 2_775
Au1 Au2 3.1508(10) .
Au1 Au8 3.3295(10) 2_775
Au2 Au3 3.0737(10) .
Au2 Au4 3.3211(12) .
Au3 Au4 3.2063(10) .
Au4 Au5 3.0501(10) .
Au4 Au6 3.3025(12) .
Au5 Au6 3.0578(10) .
Au5 Au7 3.0865(11) .
Au6 Au7 3.2855(10) .
Au7 Au9 3.0154(9) .
Au7 Au8 3.2058(10) .
Au8 S1 2.315(3) 2_775
Au8 Au9 3.0222(10) .
Au8 Au1 3.3295(10) 2_775
Au9 S1 2.329(4) 2_775
Au9 Au1 3.1137(10) 2_775
