#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/40/4314034.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_4314034
loop_
_publ_author_name
'Angelo Maspero'
'Ibrahim Kani'
'Ahmed A. Mohamed'
'Mohammad A. Omary'
'Richard J. Staples'
'John P. Fackler'
_publ_contact_author_address
; Department of Chemistry
    Texas A&M University
College Station, TX 77843
;
_publ_contact_author_email       fackler@mail.chem.tamu.edu
_publ_contact_author_name        'John P. Fackler'
_publ_section_title
;
 Syntheses and Structures of Dinuclear Gold(I) Dithiophosphonate Complexes
 and the Reaction of the Dithiophosphonate Complexes with Phosphines:
 Diverse Coordination Types
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5311
_journal_page_last               5319
_journal_paper_doi               10.1021/ic034114y
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C62 H63.5 Au2 B F4 O3 P5 S2'
_chemical_formula_weight         1556.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.2490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   22.0680(12)
_cell_length_b                   24.3554(11)
_cell_length_c                   24.7299(13)
_cell_measurement_temperature    213(2)
_cell_volume                     12470.2(11)
_computing_cell_refinement       'SMART (BRUKER, V5.054, 1998)'
_computing_data_collection       'ASTRO (BRUKER, V5.007, 1997)'
_computing_data_reduction        'SAINT (BRUKER, V6.01, 1999)'
_computing_molecular_graphics    'SHELXTL (BRUKER, 1998, V5.1)'
_computing_publication_material  'XCIF (Sheldrick and BRUKER, 1997, V5.1)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_method       'ω, 0.3 deg'
_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  0.0879
_diffrn_reflns_av_sigmaI/netI    0.0889
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            57095
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         22.50
_diffrn_reflns_theta_min         1.21
_diffrn_standards_decay_%        <1
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.951
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.658
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             6124
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.803
_refine_diff_density_min         -2.203
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1423
_refine_ls_number_reflns         16312
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0834
_refine_ls_R_factor_gt           0.0456
_refine_ls_shift/su_max          0.025
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0246P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0952
_reflns_number_gt                10244
_reflns_number_total             16312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034114ysi20030604_012934_6.cif
_cod_data_source_block           complex6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_formula_sum        'C62 H63.50 Au2 B F4 O3 P5 S2'
_cod_database_code               4314034
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au3 Au 0.29775(2) 0.762779(15) 0.995007(17) 0.03748(12) Uani 1 1 d . . .
Au4 Au 0.436363(19) 0.754483(15) 1.010572(16) 0.03791(11) Uani 1 1 d . . .
S3 S 0.27419(15) 0.84461(10) 0.92233(12) 0.0481(8) Uani 1 1 d . . .
S4 S 0.38960(15) 0.77323(11) 0.88851(11) 0.0533(8) Uani 1 1 d . . .
P6 P 0.30832(15) 0.81557(11) 0.86275(12) 0.0451(8) Uani 1 1 d . . .
P7 P 0.27983(14) 0.67348(10) 0.96247(11) 0.0366(7) Uani 1 1 d . . .
P8 P 0.42379(13) 0.66356(9) 0.98236(11) 0.0325(7) Uani 1 1 d . . .
P9 P 0.33014(14) 0.82667(10) 1.07132(11) 0.0356(7) Uani 1 1 d . . .
P10 P 0.46610(13) 0.83304(10) 1.06433(11) 0.0347(7) Uani 1 1 d . . .
O3 O 0.2487(3) 0.7804(3) 0.8191(3) 0.051(2) Uani 1 1 d . . .
O4 O 0.3264(4) 1.0111(3) 0.7272(3) 0.067(2) Uani 1 1 d . . .
C63 C 0.2546(6) 0.7556(4) 0.7691(5) 0.057(3) Uani 1 1 d . . .
H63A H 0.2983 0.7619 0.7677 0.068 Uiso 1 1 calc R . .
C64 C 0.2037(9) 0.7775(6) 0.7148(5) 0.136(8) Uani 1 1 d . . .
H64A H 0.1664 0.7911 0.7238 0.163 Uiso 1 1 calc R . .
H64B H 0.2214 0.8081 0.6993 0.163 Uiso 1 1 calc R . .
C65 C 0.1841(12) 0.7353(7) 0.6738(8) 0.231(14) Uani 1 1 d . . .
H65A H 0.2039 0.7405 0.6443 0.277 Uiso 1 1 calc R . .
H65B H 0.1371 0.7361 0.6548 0.277 Uiso 1 1 calc R . .
C66 C 0.2044(9) 0.6812(7) 0.7031(7) 0.149(8) Uani 1 1 d . . .
H66A H 0.2329 0.6615 0.6869 0.179 Uiso 1 1 calc R . .
H66B H 0.1667 0.6582 0.6995 0.179 Uiso 1 1 calc R . .
C67 C 0.2400(8) 0.6965(5) 0.7658(6) 0.117(6) Uani 1 1 d . . .
H67A H 0.2131 0.6879 0.7890 0.140 Uiso 1 1 calc R . .
H67B H 0.2801 0.6754 0.7809 0.140 Uiso 1 1 calc R . .
C68 C 0.3176(6) 0.8737(4) 0.8232(4) 0.046(3) Uani 1 1 d . . .
C69 C 0.3740(6) 0.8890(4) 0.8183(4) 0.051(3) Uani 1 1 d . . .
H69A H 0.4107 0.8676 0.8373 0.062 Uiso 1 1 calc R . .
C70 C 0.3819(6) 0.9340(4) 0.7872(5) 0.061(3) Uani 1 1 d . . .
H70A H 0.4223 0.9424 0.7844 0.074 Uiso 1 1 calc R . .
C71 C 0.3283(6) 0.9663(4) 0.7603(5) 0.051(3) Uani 1 1 d . . .
C72 C 0.2671(6) 0.9513(4) 0.7621(5) 0.061(3) Uani 1 1 d . . .
H72A H 0.2300 0.9717 0.7419 0.073 Uiso 1 1 calc R . .
C73 C 0.2632(6) 0.9058(4) 0.7945(5) 0.060(3) Uani 1 1 d . . .
H73A H 0.2231 0.8963 0.7972 0.072 Uiso 1 1 calc R . .
C74 C 0.3878(7) 1.0241(5) 0.7203(7) 0.117(6) Uani 1 1 d . . .
H74A H 0.3829 1.0567 0.6968 0.175 Uiso 1 1 calc R . .
H74B H 0.4011 0.9936 0.7018 0.175 Uiso 1 1 calc R . .
H74C H 0.4203 1.0306 0.7579 0.175 Uiso 1 1 calc R . .
C75 C 0.3433(4) 0.6474(3) 0.9361(4) 0.033(3) Uani 1 1 d . . .
H75A H 0.3390 0.6074 0.9320 0.040 Uiso 1 1 calc R . .
H75B H 0.3362 0.6629 0.8979 0.040 Uiso 1 1 calc R . .
C76 C 0.2060(5) 0.6598(4) 0.9041(4) 0.037(3) Uani 1 1 d . . .
C77 C 0.1574(5) 0.6967(5) 0.8901(5) 0.052(3) Uani 1 1 d . . .
H77A H 0.1641 0.7311 0.9087 0.063 Uiso 1 1 calc R . .
C78 C 0.0977(7) 0.6849(5) 0.8489(6) 0.075(4) Uani 1 1 d . . .
H78A H 0.0639 0.7105 0.8407 0.090 Uiso 1 1 calc R . .
C79 C 0.0881(6) 0.6356(5) 0.8199(5) 0.066(4) Uani 1 1 d . . .
H79A H 0.0481 0.6277 0.7913 0.079 Uiso 1 1 calc R . .
C80 C 0.1353(7) 0.5998(5) 0.8326(5) 0.067(4) Uani 1 1 d . . .
H80A H 0.1286 0.5663 0.8124 0.081 Uiso 1 1 calc R . .
C81 C 0.1951(6) 0.6096(4) 0.8750(5) 0.064(4) Uani 1 1 d . . .
H81A H 0.2278 0.5828 0.8839 0.077 Uiso 1 1 calc R . .
C82 C 0.2765(5) 0.6257(4) 1.0179(4) 0.041(3) Uani 1 1 d . . .
C83 C 0.2555(6) 0.6464(4) 1.0614(5) 0.068(4) Uani 1 1 d . . .
H83A H 0.2459 0.6838 1.0628 0.082 Uiso 1 1 calc R . .
C84 C 0.2494(7) 0.6096(5) 1.1030(6) 0.094(5) Uani 1 1 d . . .
H84A H 0.2346 0.6226 1.1319 0.113 Uiso 1 1 calc R . .
C85 C 0.2644(7) 0.5561(5) 1.1022(5) 0.081(4) Uani 1 1 d . . .
H85A H 0.2604 0.5324 1.1308 0.098 Uiso 1 1 calc R . .
C86 C 0.2854(6) 0.5360(4) 1.0602(5) 0.064(4) Uani 1 1 d . . .
H86A H 0.2963 0.4987 1.0601 0.077 Uiso 1 1 calc R . .
C87 C 0.2904(5) 0.5706(4) 1.0183(4) 0.044(3) Uani 1 1 d . . .
H87A H 0.3038 0.5563 0.9889 0.053 Uiso 1 1 calc R . .
C88 C 0.4413(5) 0.6118(3) 1.0374(4) 0.032(2) Uani 1 1 d . . .
C89 C 0.4457(5) 0.6262(4) 1.0944(4) 0.046(3) Uani 1 1 d . . .
H89A H 0.4414 0.6630 1.1039 0.055 Uiso 1 1 calc R . .
C90 C 0.4563(5) 0.5861(4) 1.1351(4) 0.049(3) Uani 1 1 d . . .
H90A H 0.4562 0.5951 1.1720 0.059 Uiso 1 1 calc R . .
C91 C 0.4671(6) 0.5320(4) 1.1227(5) 0.061(4) Uani 1 1 d . . .
H91A H 0.4773 0.5053 1.1520 0.073 Uiso 1 1 calc R . .
C92 C 0.4628(5) 0.5171(4) 1.0673(5) 0.056(3) Uani 1 1 d . . .
H92A H 0.4673 0.4802 1.0581 0.067 Uiso 1 1 calc R . .
C93 C 0.4518(5) 0.5575(4) 1.0263(4) 0.041(3) Uani 1 1 d . . .
H93A H 0.4513 0.5480 0.9893 0.049 Uiso 1 1 calc R . .
C94 C 0.4789(5) 0.6462(4) 0.9431(4) 0.037(3) Uani 1 1 d . . .
C95 C 0.5422(6) 0.6606(4) 0.9696(5) 0.057(3) Uani 1 1 d . . .
H95A H 0.5548 0.6779 1.0057 0.069 Uiso 1 1 calc R . .
C96 C 0.5877(6) 0.6504(5) 0.9447(6) 0.065(4) Uani 1 1 d . . .
H96A H 0.6311 0.6602 0.9639 0.077 Uiso 1 1 calc R . .
C97 C 0.5693(6) 0.6260(4) 0.8921(5) 0.055(3) Uani 1 1 d . . .
H97A H 0.6000 0.6189 0.8745 0.067 Uiso 1 1 calc R . .
C98 C 0.5058(6) 0.6118(4) 0.8647(5) 0.052(3) Uani 1 1 d . . .
H98A H 0.4935 0.5952 0.8282 0.062 Uiso 1 1 calc R . .
C99 C 0.4585(5) 0.6218(3) 0.8902(4) 0.039(3) Uani 1 1 d . . .
H99A H 0.4150 0.6120 0.8715 0.047 Uiso 1 1 calc R . .
C100 C 0.3954(5) 0.8703(3) 1.0660(4) 0.037(3) Uani 1 1 d . . .
H10A H 0.3787 0.8925 1.0310 0.044 Uiso 1 1 calc R . .
H10B H 0.4087 0.8954 1.0990 0.044 Uiso 1 1 calc R . .
C101 C 0.2683(6) 0.8747(4) 1.0723(4) 0.043(3) Uani 1 1 d . . .
C102 C 0.2066(6) 0.8592(4) 1.0484(5) 0.063(4) Uani 1 1 d . . .
H10C H 0.1973 0.8244 1.0310 0.075 Uiso 1 1 calc R . .
C103 C 0.1538(6) 0.8940(5) 1.0482(6) 0.079(4) Uani 1 1 d . . .
H10D H 0.1106 0.8828 1.0309 0.095 Uiso 1 1 calc R . .
C104 C 0.1698(7) 0.9450(5) 1.0749(5) 0.068(4) Uani 1 1 d . . .
H10E H 0.1368 0.9690 1.0758 0.082 Uiso 1 1 calc R . .
C105 C 0.2318(6) 0.9602(5) 1.0993(5) 0.064(4) Uani 1 1 d . . .
H10F H 0.2420 0.9945 1.1177 0.077 Uiso 1 1 calc R . .
C106 C 0.2806(6) 0.9253(4) 1.0974(5) 0.052(3) Uani 1 1 d . . .
H10G H 0.3238 0.9369 1.1139 0.063 Uiso 1 1 calc R . .
C107 C 0.3622(5) 0.7967(4) 1.1432(4) 0.037(3) Uani 1 1 d . . .
C108 C 0.3699(6) 0.7407(4) 1.1477(4) 0.058(3) Uani 1 1 d . . .
H10H H 0.3577 0.7188 1.1143 0.070 Uiso 1 1 calc R . .
C109 C 0.3956(7) 0.7167(5) 1.2012(6) 0.085(5) Uani 1 1 d . . .
H10I H 0.4008 0.6784 1.2037 0.102 Uiso 1 1 calc R . .
C110 C 0.4134(6) 0.7459(6) 1.2493(6) 0.071(4) Uani 1 1 d . . .
H11A H 0.4304 0.7283 1.2852 0.086 Uiso 1 1 calc R . .
C111 C 0.4070(7) 0.7999(7) 1.2466(5) 0.089(5) Uani 1 1 d . . .
H11B H 0.4213 0.8204 1.2809 0.107 Uiso 1 1 calc R . .
C112 C 0.3793(6) 0.8273(5) 1.1936(5) 0.073(4) Uani 1 1 d . . .
H11C H 0.3404 0.8462 1.1945 0.088 Uiso 1 1 calc R . .
H11D H 0.4098 0.8557 1.1913 0.088 Uiso 1 1 calc R . .
C113 C 0.5154(5) 0.8171(4) 1.1387(4) 0.037(3) Uani 1 1 d . . .
C114 C 0.5430(5) 0.7661(4) 1.1521(4) 0.047(3) Uani 1 1 d . . .
H11E H 0.5382 0.7406 1.1224 0.056 Uiso 1 1 calc R . .
C115 C 0.5779(5) 0.7516(5) 1.2084(5) 0.063(3) Uani 1 1 d . . .
H11F H 0.5966 0.7165 1.2169 0.075 Uiso 1 1 calc R . .
C116 C 0.5847(5) 0.7881(5) 1.2509(5) 0.052(3) Uani 1 1 d . . .
H11G H 0.6076 0.7790 1.2895 0.063 Uiso 1 1 calc R . .
C117 C 0.5574(6) 0.8393(5) 1.2364(5) 0.073(4) Uani 1 1 d . . .
H11H H 0.5638 0.8653 1.2660 0.088 Uiso 1 1 calc R . .
C118 C 0.5217(6) 0.8543(4) 1.1820(5) 0.059(3) Uani 1 1 d . . .
H11I H 0.5019 0.8890 1.1741 0.070 Uiso 1 1 calc R . .
C119 C 0.5105(6) 0.8822(4) 1.0378(5) 0.043(3) Uani 1 1 d . . .
C120 C 0.4825(7) 0.9000(4) 0.9816(6) 0.065(4) Uani 1 1 d . . .
H12A H 0.4415 0.8874 0.9583 0.078 Uiso 1 1 calc R . .
C121 C 0.5170(9) 0.9372(5) 0.9604(6) 0.083(5) Uani 1 1 d . . .
H12B H 0.4975 0.9512 0.9229 0.099 Uiso 1 1 calc R . .
C122 C 0.5776(8) 0.9539(6) 0.9916(8) 0.090(5) Uani 1 1 d . . .
H12C H 0.6000 0.9778 0.9755 0.108 Uiso 1 1 calc R . .
C123 C 0.6056(7) 0.9356(6) 1.0466(7) 0.093(5) Uani 1 1 d . . .
H12D H 0.6167 0.9678 1.0719 0.112 Uiso 1 1 calc R . .
H12E H 0.6463 0.9177 1.0493 0.112 Uiso 1 1 calc R . .
C124 C 0.5706(7) 0.8984(5) 1.0699(6) 0.071(4) Uani 1 1 d . . .
H12F H 0.5897 0.8852 1.1077 0.085 Uiso 1 1 calc R . .
Au1 Au -0.08063(2) 0.745470(16) 0.652709(17) 0.04396(12) Uani 1 1 d . . .
Au2 Au -0.22336(2) 0.747897(17) 0.609379(18) 0.04801(13) Uani 1 1 d . . .
S1 S -0.08718(17) 0.86313(12) 0.63383(15) 0.0704(10) Uani 1 1 d . . .
S2 S -0.22850(18) 0.82470(11) 0.52874(15) 0.0699(11) Uani 1 1 d . . .
P1 P -0.17083(18) 0.88415(11) 0.57396(14) 0.0603(10) Uani 1 1 d . . .
P2 P -0.07963(13) 0.77014(10) 0.74354(11) 0.0376(7) Uani 1 1 d . . .
P3 P -0.22756(13) 0.77698(10) 0.69648(12) 0.0407(7) Uani 1 1 d . . .
P4 P -0.07429(14) 0.69904(10) 0.57354(12) 0.0398(7) Uani 1 1 d . . .
P5 P -0.22041(15) 0.68218(10) 0.54091(12) 0.0399(7) Uani 1 1 d . . .
O1 O -0.1610(4) 0.9224(3) 0.5246(4) 0.076(3) Uani 1 1 d . . .
O2 O -0.3254(5) 1.0299(3) 0.6710(4) 0.089(3) Uani 1 1 d . . .
C1 C -0.1064(8) 0.9560(5) 0.5349(6) 0.087(5) Uani 1 1 d . . .
H1A H -0.0663 0.9353 0.5553 0.104 Uiso 1 1 calc R . .
C2 C -0.1059(8) 0.9775(5) 0.4765(7) 0.112(6) Uani 1 1 d . . .
H2A H -0.0759 0.9559 0.4637 0.135 Uiso 1 1 calc R . .
H2B H -0.1491 0.9746 0.4473 0.135 Uiso 1 1 calc R . .
C3 C -0.0848(10) 1.0364(8) 0.4845(9) 0.163(9) Uani 1 1 d . . .
H3A H -0.1164 1.0601 0.4566 0.195 Uiso 1 1 calc R . .
H3B H -0.0427 1.0411 0.4800 0.195 Uiso 1 1 calc R . .
C4 C -0.0809(10) 1.0497(6) 0.5453(9) 0.152(8) Uani 1 1 d . . .
H4A H -0.0355 1.0535 0.5699 0.182 Uiso 1 1 calc R . .
H4B H -0.1025 1.0848 0.5455 0.182 Uiso 1 1 calc R . .
C5C C -0.1099(11) 1.0086(5) 0.5680(7) 0.179(11) Uani 1 1 d . . .
H5CA H -0.1549 1.0180 0.5621 0.214 Uiso 1 1 calc R . .
H5CB H -0.0866 1.0039 0.6094 0.214 Uiso 1 1 calc R . .
C6 C -0.2164(7) 0.9273(4) 0.6055(6) 0.053(3) Uani 1 1 d . . .
C7 C -0.1906(6) 0.9446(4) 0.6622(6) 0.062(4) Uani 1 1 d . . .
H7A H -0.1487 0.9333 0.6847 0.075 Uiso 1 1 calc R . .
C8 C -0.2257(7) 0.9787(4) 0.6870(5) 0.067(4) Uani 1 1 d . . .
H8A H -0.2080 0.9893 0.7259 0.080 Uiso 1 1 calc R . .
C9 C -0.2865(8) 0.9964(5) 0.6531(7) 0.066(4) Uani 1 1 d . . .
C10 C -0.3127(6) 0.9797(4) 0.5943(6) 0.068(4) Uani 1 1 d . . .
H10J H -0.3537 0.9920 0.5708 0.082 Uiso 1 1 calc R . .
C11 C -0.2772(7) 0.9452(4) 0.5720(5) 0.055(3) Uani 1 1 d . . .
H11J H -0.2949 0.9338 0.5334 0.067 Uiso 1 1 calc R . .
C12 C -0.3016(8) 1.0455(5) 0.7305(7) 0.111(6) Uani 1 1 d . . .
H12G H -0.3330 1.0689 0.7386 0.166 Uiso 1 1 calc R . .
H12H H -0.2612 1.0653 0.7388 0.166 Uiso 1 1 calc R . .
H12I H -0.2944 1.0129 0.7545 0.166 Uiso 1 1 calc R . .
C13 C -0.1510(4) 0.8075(4) 0.7415(4) 0.039(3) Uani 1 1 d . . .
H13A H -0.1483 0.8447 0.7275 0.047 Uiso 1 1 calc R . .
H13B H -0.1512 0.8107 0.7810 0.047 Uiso 1 1 calc R . .
C14 C -0.0128(5) 0.8129(4) 0.7839(4) 0.045(3) Uani 1 1 d . . .
C15 C -0.0165(6) 0.8520(4) 0.8233(5) 0.058(3) Uani 1 1 d . . .
H15A H -0.0567 0.8598 0.8266 0.070 Uiso 1 1 calc R . .
C16 C 0.0366(6) 0.8792(5) 0.8570(5) 0.067(4) Uani 1 1 d . . .
H16A H 0.0324 0.9062 0.8827 0.081 Uiso 1 1 calc R . .
C17 C 0.0961(6) 0.8682(5) 0.8546(6) 0.080(4) Uani 1 1 d . . .
H17A H 0.1332 0.8853 0.8801 0.096 Uiso 1 1 calc R . .
C18 C 0.1009(6) 0.8310(5) 0.8137(6) 0.083(4) Uani 1 1 d . . .
H18A H 0.1412 0.8244 0.8099 0.100 Uiso 1 1 calc R . .
C19 C 0.0466(6) 0.8038(4) 0.7785(5) 0.065(4) Uani 1 1 d . . .
H19A H 0.0502 0.7788 0.7507 0.078 Uiso 1 1 calc R . .
C20 C -0.0781(5) 0.7129(4) 0.7901(5) 0.048(3) Uani 1 1 d . . .
C21 C -0.0848(6) 0.6597(4) 0.7684(5) 0.066(4) Uani 1 1 d . . .
H21A H -0.0880 0.6540 0.7300 0.079 Uiso 1 1 calc R . .
C22 C -0.0872(7) 0.6142(6) 0.8025(7) 0.104(6) Uani 1 1 d . . .
H22A H -0.0535 0.5883 0.8018 0.125 Uiso 1 1 calc R . .
H22B H -0.1289 0.5958 0.7845 0.125 Uiso 1 1 calc R . .
C23 C -0.0794(8) 0.6250(8) 0.8604(8) 0.121(7) Uani 1 1 d . . .
H23A H -0.0811 0.5956 0.8845 0.145 Uiso 1 1 calc R . .
C24 C -0.0695(7) 0.6756(7) 0.8823(7) 0.096(5) Uani 1 1 d . . .
H24A H -0.0625 0.6809 0.9216 0.115 Uiso 1 1 calc R . .
C25 C -0.0693(6) 0.7205(5) 0.8479(6) 0.070(4) Uani 1 1 d . . .
H25A H -0.0632 0.7560 0.8637 0.084 Uiso 1 1 calc R . .
C26 C -0.2434(5) 0.7224(4) 0.7398(5) 0.045(3) Uani 1 1 d . . .
C27 C -0.2691(6) 0.6723(4) 0.7131(5) 0.063(4) Uani 1 1 d . . .
H27A H -0.2778 0.6683 0.6733 0.075 Uiso 1 1 calc R . .
C28 C -0.2818(6) 0.6293(5) 0.7431(7) 0.073(4) Uani 1 1 d . . .
H28A H -0.3012 0.5970 0.7241 0.088 Uiso 1 1 calc R . .
C29 C -0.2277(6) 0.7267(4) 0.7991(5) 0.062(3) Uani 1 1 d . . .
H29A H -0.2091 0.7590 0.8185 0.075 Uiso 1 1 calc R . .
C30 C -0.2402(6) 0.6814(5) 0.8300(5) 0.071(4) Uani 1 1 d . . .
H30A H -0.2310 0.6840 0.8700 0.085 Uiso 1 1 calc R . .
C31 C -0.2656(7) 0.6344(5) 0.8014(7) 0.077(4) Uani 1 1 d . . .
H31A H -0.2722 0.6044 0.8226 0.093 Uiso 1 1 calc R . .
C32 C -0.2852(5) 0.8291(4) 0.6958(5) 0.043(3) Uani 1 1 d . . .
C33 C -0.2828(6) 0.8557(4) 0.7467(5) 0.052(3) Uani 1 1 d . . .
H33A H -0.2495 0.8473 0.7814 0.062 Uiso 1 1 calc R . .
C34 C -0.3289(6) 0.8942(4) 0.7465(5) 0.054(3) Uani 1 1 d . . .
H34A H -0.3264 0.9124 0.7807 0.065 Uiso 1 1 calc R . .
C35 C -0.3783(6) 0.9055(4) 0.6962(6) 0.053(3) Uani 1 1 d . . .
H35A H -0.4103 0.9310 0.6963 0.064 Uiso 1 1 calc R . .
C36 C -0.3816(6) 0.8799(4) 0.6452(5) 0.057(3) Uani 1 1 d . . .
H36A H -0.4152 0.8886 0.6107 0.069 Uiso 1 1 calc R . .
C37 C -0.3365(5) 0.8423(4) 0.6449(5) 0.044(3) Uani 1 1 d . . .
H37A H -0.3396 0.8246 0.6103 0.052 Uiso 1 1 calc R . .
C38 C -0.1512(5) 0.6930(4) 0.5166(4) 0.045(3) Uani 1 1 d . . .
H38A H -0.1491 0.6622 0.4918 0.054 Uiso 1 1 calc R . .
H38B H -0.1588 0.7264 0.4931 0.054 Uiso 1 1 calc R . .
C39 C -0.0216(5) 0.7312(4) 0.5398(4) 0.043(3) Uani 1 1 d . . .
C40 C 0.0059(6) 0.7816(5) 0.5606(5) 0.066(4) Uani 1 1 d . . .
H40A H -0.0053 0.8000 0.5892 0.079 Uiso 1 1 calc R . .
C41 C 0.0512(7) 0.8052(5) 0.5382(6) 0.083(4) Uani 1 1 d . . .
H41A H 0.0679 0.8405 0.5497 0.100 Uiso 1 1 calc R . .
C42 C 0.0700(7) 0.7762(5) 0.5001(6) 0.076(4) Uani 1 1 d . . .
H42A H 0.1027 0.7904 0.4877 0.092 Uiso 1 1 calc R . .
C43 C 0.0428(6) 0.7271(5) 0.4793(5) 0.066(4) Uani 1 1 d . . .
H43A H 0.0545 0.7093 0.4507 0.080 Uiso 1 1 calc R . .
C44 C -0.0025(6) 0.7025(4) 0.4996(5) 0.055(3) Uani 1 1 d . . .
H44A H -0.0196 0.6676 0.4865 0.066 Uiso 1 1 calc R . .
C45 C -0.0424(5) 0.6298(4) 0.5915(4) 0.039(3) Uani 1 1 d . . .
C46 C 0.0101(6) 0.6249(4) 0.6431(5) 0.066(4) Uani 1 1 d . . .
H46A H 0.0227 0.6552 0.6680 0.079 Uiso 1 1 calc R . .
C47 C 0.0435(6) 0.5763(5) 0.6577(5) 0.077(4) Uani 1 1 d . . .
H47A H 0.0792 0.5735 0.6921 0.092 Uiso 1 1 calc R . .
C48 C 0.0239(7) 0.5311(4) 0.6211(6) 0.067(4) Uani 1 1 d . . .
H48A H 0.0461 0.4975 0.6306 0.080 Uiso 1 1 calc R . .
C49 C -0.0286(6) 0.5363(5) 0.5707(6) 0.062(4) Uani 1 1 d . . .
H49A H -0.0430 0.5060 0.5460 0.074 Uiso 1 1 calc R . .
C50 C -0.0596(6) 0.5859(4) 0.5570(5) 0.051(3) Uani 1 1 d . . .
H50A H -0.0942 0.5892 0.5219 0.061 Uiso 1 1 calc R . .
C51 C -0.2915(5) 0.6852(4) 0.4775(4) 0.039(3) Uani 1 1 d . . .
C52 C -0.3506(6) 0.6953(4) 0.4848(5) 0.058(3) Uani 1 1 d . . .
H52A H -0.3512 0.7007 0.5223 0.069 Uiso 1 1 calc R . .
C53 C -0.4072(7) 0.6975(5) 0.4394(6) 0.073(4) Uani 1 1 d . . .
H53A H -0.4458 0.7051 0.4461 0.088 Uiso 1 1 calc R . .
C54 C -0.4090(7) 0.6890(6) 0.3846(7) 0.093(5) Uani 1 1 d . . .
H54A H -0.4483 0.6883 0.3535 0.111 Uiso 1 1 calc R . .
C55 C -0.3515(8) 0.6813(7) 0.3762(6) 0.112(6) Uani 1 1 d . . .
H55A H -0.3514 0.6775 0.3384 0.135 Uiso 1 1 calc R . .
C56 C -0.2936(7) 0.6791(6) 0.4218(6) 0.091(5) Uani 1 1 d . . .
H56A H -0.2550 0.6733 0.4144 0.109 Uiso 1 1 calc R . .
C57 C -0.2164(5) 0.6111(4) 0.5633(5) 0.039(3) Uani 1 1 d . . .
C58 C -0.1974(6) 0.5996(4) 0.6212(5) 0.055(3) Uani 1 1 d . . .
H58A H -0.1851 0.6282 0.6483 0.066 Uiso 1 1 calc R . .
C59 C -0.1962(7) 0.5449(5) 0.6401(6) 0.080(4) Uani 1 1 d . . .
H59A H -0.1847 0.5374 0.6797 0.095 Uiso 1 1 calc R . .
C60 C -0.2116(6) 0.5033(5) 0.6016(6) 0.068(4) Uani 1 1 d . . .
H60A H -0.2097 0.4667 0.6142 0.082 Uiso 1 1 calc R . .
C61 C -0.2297(6) 0.5147(4) 0.5449(6) 0.067(4) Uani 1 1 d . . .
H61A H -0.2414 0.4857 0.5183 0.081 Uiso 1 1 calc R . .
C62 C -0.2317(6) 0.5686(4) 0.5243(5) 0.056(4) Uani 1 1 d . . .
H62A H -0.2434 0.5755 0.4846 0.068 Uiso 1 1 calc R . .
B1 B 0.4379(9) 0.5005(6) 0.6990(7) 0.067(5) Uani 1 1 d . . .
F1 F 0.4716(4) 0.4538(3) 0.7240(3) 0.088(2) Uani 1 1 d . . .
F2 F 0.4561(4) 0.5169(2) 0.6541(3) 0.083(2) Uani 1 1 d . . .
F3 F 0.4496(5) 0.5413(3) 0.7374(4) 0.127(3) Uani 1 1 d . . .
F4 F 0.3744(4) 0.4877(3) 0.6801(4) 0.106(3) Uani 1 1 d . . .
B2 B 0.8624(8) 0.6018(5) 0.3852(6) 0.051(4) Uani 1 1 d . . .
F5 F 0.8562(3) 0.6573(2) 0.3753(3) 0.0646(19) Uani 1 1 d . . .
F6 F 0.8465(4) 0.5742(3) 0.3334(3) 0.082(2) Uani 1 1 d . . .
F7 F 0.8214(4) 0.5865(2) 0.4142(3) 0.078(2) Uani 1 1 d . . .
F8 F 0.9242(4) 0.5899(3) 0.4176(3) 0.079(2) Uani 1 1 d . . .
O1S O 0.0877(6) 0.9555(5) 0.6791(6) 0.202(6) Uani 1 1 d . . .
H1SA H 0.0950 0.9242 0.6673 0.303 Uiso 1 1 d R . .
H1SB H 0.0932 0.9743 0.7094 0.303 Uiso 1 1 d R . .
O2S O 0.0255(7) 0.9864(6) 0.7404(6) 0.245(8) Uani 1 1 d . . .
H2SA H 0.0373 0.9589 0.7253 0.368 Uiso 1 1 d R . .
H2SB H -0.0040 1.0014 0.7500 0.368 Uiso 1 1 d R . .
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'
B B 0.0013 0.0007 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P7 Au3 P9 150.44(9) . . ?
P7 Au3 S3 120.69(9) . . ?
P9 Au3 S3 88.86(9) . . ?
P7 Au3 Au4 91.47(7) . . ?
P9 Au3 Au4 85.84(7) . . ?
S3 Au3 Au4 95.30(7) . . ?
P10 Au4 P8 162.91(9) . . ?
P10 Au4 S4 113.83(9) . . ?
P8 Au4 S4 82.69(8) . . ?
P10 Au4 Au3 95.40(7) . . ?
P8 Au4 Au3 90.89(7) . . ?
S4 Au4 Au3 82.70(6) . . ?
P6 S3 Au3 101.58(12) . . ?
P6 S4 Au4 112.24(13) . . ?
O3 P6 C68 106.0(5) . . ?
O3 P6 S4 112.1(3) . . ?
C68 P6 S4 109.3(4) . . ?
O3 P6 S3 104.5(3) . . ?
C68 P6 S3 105.6(3) . . ?
S4 P6 S3 118.59(18) . . ?
C76 P7 C82 103.0(5) . . ?
C76 P7 C75 103.9(4) . . ?
C82 P7 C75 106.2(4) . . ?
C76 P7 Au3 117.0(3) . . ?
C82 P7 Au3 112.8(3) . . ?
C75 P7 Au3 112.8(3) . . ?
C75 P8 C88 103.6(4) . . ?
C75 P8 C94 107.6(5) . . ?
C88 P8 C94 103.2(4) . . ?
C75 P8 Au4 113.1(3) . . ?
C88 P8 Au4 118.2(3) . . ?
C94 P8 Au4 110.3(3) . . ?
C101 P9 C107 106.6(5) . . ?
C101 P9 C100 104.1(5) . . ?
C107 P9 C100 104.6(4) . . ?
C101 P9 Au3 114.7(4) . . ?
C107 P9 Au3 115.1(3) . . ?
C100 P9 Au3 110.7(3) . . ?
C119 P10 C100 104.8(4) . . ?
C119 P10 C113 107.3(5) . . ?
C100 P10 C113 107.5(4) . . ?
C119 P10 Au4 115.1(3) . . ?
C100 P10 Au4 110.7(3) . . ?
C113 P10 Au4 111.0(3) . . ?
C63 O3 P6 120.2(6) . . ?
C71 O4 C74 114.2(10) . . ?
O3 C63 C67 112.3(9) . . ?
O3 C63 C64 110.9(9) . . ?
C67 C63 C64 102.4(11) . . ?
C65 C64 C63 109.2(12) . . ?
C64 C65 C66 109.2(15) . . ?
C65 C66 C67 104.0(14) . . ?
C63 C67 C66 108.8(12) . . ?
C69 C68 C73 117.1(10) . . ?
C69 C68 P6 123.9(9) . . ?
C73 C68 P6 118.9(9) . . ?
C68 C69 C70 124.6(11) . . ?
C71 C70 C69 117.8(11) . . ?
O4 C71 C70 126.1(11) . . ?
O4 C71 C72 113.4(11) . . ?
C70 C71 C72 120.3(10) . . ?
C73 C72 C71 118.3(11) . . ?
C72 C73 C68 121.7(11) . . ?
P8 C75 P7 113.9(5) . . ?
C77 C76 C81 118.2(11) . . ?
C77 C76 P7 120.1(8) . . ?
C81 C76 P7 121.5(9) . . ?
C76 C77 C78 121.1(11) . . ?
C79 C78 C77 120.0(12) . . ?
C80 C79 C78 119.3(13) . . ?
C79 C80 C81 122.3(12) . . ?
C80 C81 C76 119.1(11) . . ?
C87 C82 C83 118.4(9) . . ?
C87 C82 P7 124.2(8) . . ?
C83 C82 P7 117.3(8) . . ?
C82 C83 C84 118.2(10) . . ?
C85 C84 C83 121.4(11) . . ?
C84 C85 C86 120.5(12) . . ?
C85 C86 C87 119.5(11) . . ?
C86 C87 C82 122.0(10) . . ?
C93 C88 C89 118.2(9) . . ?
C93 C88 P8 121.7(7) . . ?
C89 C88 P8 120.1(7) . . ?
C90 C89 C88 119.4(9) . . ?
C89 C90 C91 121.0(9) . . ?
C92 C91 C90 120.3(10) . . ?
C93 C92 C91 118.5(10) . . ?
C92 C93 C88 122.4(9) . . ?
C99 C94 C95 120.9(9) . . ?
C99 C94 P8 123.1(9) . . ?
C95 C94 P8 116.0(8) . . ?
C94 C95 C96 121.7(11) . . ?
C97 C96 C95 119.1(12) . . ?
C96 C97 C98 119.9(11) . . ?
C97 C98 C99 121.4(10) . . ?
C94 C99 C98 117.0(11) . . ?
P10 C100 P9 114.5(5) . . ?
C102 C101 C106 117.9(10) . . ?
C102 C101 P9 118.1(8) . . ?
C106 C101 P9 124.0(10) . . ?
C101 C102 C103 122.3(11) . . ?
C104 C103 C102 116.9(12) . . ?
C105 C104 C103 120.7(11) . . ?
C104 C105 C106 119.9(11) . . ?
C101 C106 C105 122.3(11) . . ?
C108 C107 C112 118.2(10) . . ?
C108 C107 P9 118.1(8) . . ?
C112 C107 P9 123.7(9) . . ?
C107 C108 C109 119.8(11) . . ?
C110 C109 C108 122.1(12) . . ?
C111 C110 C109 119.8(13) . . ?
C110 C111 C112 121.5(13) . . ?
C107 C112 C111 118.4(11) . . ?
C118 C113 C114 119.4(10) . . ?
C118 C113 P10 120.8(8) . . ?
C114 C113 P10 119.7(7) . . ?
C113 C114 C115 121.4(10) . . ?
C116 C115 C114 119.3(11) . . ?
C115 C116 C117 118.5(10) . . ?
C118 C117 C116 123.6(11) . . ?
C117 C118 C113 117.8(11) . . ?
C124 C119 C120 120.5(10) . . ?
C124 C119 P10 121.8(9) . . ?
C120 C119 P10 117.6(9) . . ?
C119 C120 C121 117.9(13) . . ?
C122 C121 C120 122.6(15) . . ?
C121 C122 C123 119.4(14) . . ?
C122 C123 C124 119.1(14) . . ?
C119 C124 C123 120.4(13) . . ?
P4 Au1 P2 165.13(9) . . ?
P4 Au1 S1 111.23(9) . . ?
P2 Au1 S1 83.29(9) . . ?
P4 Au1 Au2 94.14(8) . . ?
P2 Au1 Au2 89.87(7) . . ?
S1 Au1 Au2 86.24(7) . . ?
P3 Au2 P5 154.95(9) . . ?
P3 Au2 S2 118.17(9) . . ?
P5 Au2 S2 86.81(9) . . ?
P3 Au2 Au1 92.86(7) . . ?
P5 Au2 Au1 87.47(8) . . ?
S2 Au2 Au1 92.79(8) . . ?
P1 S1 Au1 110.82(16) . . ?
P1 S2 Au2 103.44(16) . . ?
O1 P1 C6 103.4(4) . . ?
O1 P1 S1 112.3(4) . . ?
C6 P1 S1 109.8(5) . . ?
O1 P1 S2 102.8(4) . . ?
C6 P1 S2 108.8(5) . . ?
S1 P1 S2 118.50(19) . . ?
C14 P2 C20 105.3(5) . . ?
C14 P2 C13 105.3(5) . . ?
C20 P2 C13 103.4(5) . . ?
C14 P2 Au1 114.7(4) . . ?
C20 P2 Au1 114.2(4) . . ?
C13 P2 Au1 112.9(3) . . ?
C32 P3 C26 104.1(5) . . ?
C32 P3 C13 102.8(5) . . ?
C26 P3 C13 105.3(5) . . ?
C32 P3 Au2 117.9(4) . . ?
C26 P3 Au2 113.9(3) . . ?
C13 P3 Au2 111.5(3) . . ?
C38 P4 C45 107.2(5) . . ?
C38 P4 C39 104.8(5) . . ?
C45 P4 C39 104.8(5) . . ?
C38 P4 Au1 112.8(3) . . ?
C45 P4 Au1 112.2(3) . . ?
C39 P4 Au1 114.4(4) . . ?
C51 P5 C57 104.0(5) . . ?
C51 P5 C38 106.3(5) . . ?
C57 P5 C38 106.1(4) . . ?
C51 P5 Au2 111.6(3) . . ?
C57 P5 Au2 116.2(3) . . ?
C38 P5 Au2 111.8(3) . . ?
C1 O1 P1 122.0(9) . . ?
C9 O2 C12 116.4(12) . . ?
O1 C1 C5C 112.6(13) . . ?
O1 C1 C2 108.1(12) . . ?
C5C C1 C2 103.5(10) . . ?
C3 C2 C1 107.7(13) . . ?
C2 C3 C4 104.1(13) . . ?
C5C C4 C3 111.6(15) . . ?
C4 C5C C1 105.5(13) . . ?
C11 C6 C7 119.0(11) . . ?
C11 C6 P1 119.7(10) . . ?
C7 C6 P1 121.3(10) . . ?
C6 C7 C8 121.6(12) . . ?
C9 C8 C7 118.8(13) . . ?
O2 C9 C8 125.2(14) . . ?
O2 C9 C10 115.1(14) . . ?
C8 C9 C10 119.8(12) . . ?
C11 C10 C9 119.6(13) . . ?
C6 C11 C10 121.2(12) . . ?
P2 C13 P3 115.2(5) . . ?
C19 C14 C15 117.9(10) . . ?
C19 C14 P2 118.4(8) . . ?
C15 C14 P2 123.5(9) . . ?
C16 C15 C14 121.4(11) . . ?
C15 C16 C17 121.2(11) . . ?
C16 C17 C18 118.6(12) . . ?
C19 C18 C17 120.3(12) . . ?
C14 C19 C18 120.4(11) . . ?
C25 C20 C21 118.6(10) . . ?
C25 C20 P2 121.3(9) . . ?
C21 C20 P2 120.0(9) . . ?
C20 C21 C22 121.8(13) . . ?
C21 C22 C23 116.5(15) . . ?
C24 C23 C22 122.1(16) . . ?
C23 C24 C25 121.0(16) . . ?
C20 C25 C24 119.9(13) . . ?
C29 C26 C27 118.2(10) . . ?
C29 C26 P3 122.6(8) . . ?
C27 C26 P3 119.1(9) . . ?
C28 C27 C26 122.2(12) . . ?
C31 C28 C27 118.4(12) . . ?
C26 C29 C30 119.0(11) . . ?
C31 C30 C29 119.7(12) . . ?
C30 C31 C28 122.4(12) . . ?
C33 C32 C37 117.8(10) . . ?
C33 C32 P3 120.8(9) . . ?
C37 C32 P3 121.2(8) . . ?
C34 C33 C32 120.7(11) . . ?
C35 C34 C33 119.7(11) . . ?
C34 C35 C36 120.7(11) . . ?
C37 C36 C35 120.1(12) . . ?
C36 C37 C32 121.0(10) . . ?
P4 C38 P5 114.8(5) . . ?
C40 C39 C44 120.4(10) . . ?
C40 C39 P4 118.5(8) . . ?
C44 C39 P4 120.5(8) . . ?
C39 C40 C41 119.4(11) . . ?
C42 C41 C40 119.2(12) . . ?
C41 C42 C43 121.4(12) . . ?
C42 C43 C44 121.3(12) . . ?
C39 C44 C43 118.1(10) . . ?
C50 C45 C46 118.3(10) . . ?
C50 C45 P4 125.7(9) . . ?
C46 C45 P4 115.4(8) . . ?
C47 C46 C45 120.8(11) . . ?
C46 C47 C48 119.4(12) . . ?
C49 C48 C47 119.1(11) . . ?
C50 C49 C48 119.7(12) . . ?
C45 C50 C49 122.6(12) . . ?
C56 C51 C52 116.1(11) . . ?
C56 C51 P5 126.2(9) . . ?
C52 C51 P5 117.7(8) . . ?
C53 C52 C51 122.1(12) . . ?
C54 C53 C52 121.1(13) . . ?
C53 C54 C55 117.7(14) . . ?
C54 C55 C56 121.8(13) . . ?
C51 C56 C55 121.1(12) . . ?
C58 C57 C62 119.2(9) . . ?
C58 C57 P5 118.7(8) . . ?
C62 C57 P5 122.1(8) . . ?
C57 C58 C59 120.3(11) . . ?
C60 C59 C58 120.2(12) . . ?
C61 C60 C59 119.3(11) . . ?
C60 C61 C62 122.1(11) . . ?
C57 C62 C61 118.8(10) . . ?
F3 B1 F4 109.9(14) . . ?
F3 B1 F2 108.7(12) . . ?
F4 B1 F2 110.4(14) . . ?
F3 B1 F1 110.6(14) . . ?
F4 B1 F1 107.3(11) . . ?
F2 B1 F1 109.9(12) . . ?
F8 B2 F5 109.6(11) . . ?
F8 B2 F6 108.9(11) . . ?
F5 B2 F6 109.6(11) . . ?
F8 B2 F7 109.9(11) . . ?
F5 B2 F7 108.4(10) . . ?
F6 B2 F7 110.4(11) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au3 P7 2.305(2) . ?
Au3 P9 2.358(2) . ?
Au3 S3 2.613(3) . ?
Au3 Au4 2.9548(6) . ?
Au4 P10 2.292(3) . ?
Au4 P8 2.309(2) . ?
Au4 S4 2.869(3) . ?
S3 P6 2.002(4) . ?
S4 P6 1.974(4) . ?
P6 O3 1.626(7) . ?
P6 C68 1.772(10) . ?
P7 C76 1.795(11) . ?
P7 C82 1.818(10) . ?
P7 C75 1.849(9) . ?
P8 C75 1.792(9) . ?
P8 C88 1.797(9) . ?
P8 C94 1.848(9) . ?
P9 C101 1.804(10) . ?
P9 C107 1.823(10) . ?
P9 C100 1.830(9) . ?
P10 C119 1.808(10) . ?
P10 C100 1.818(9) . ?
P10 C113 1.825(11) . ?
O3 C63 1.424(10) . ?
O4 C71 1.356(11) . ?
O4 C74 1.457(13) . ?
C63 C67 1.471(14) . ?
C63 C64 1.519(16) . ?
C64 C65 1.404(18) . ?
C65 C66 1.496(19) . ?
C66 C67 1.520(17) . ?
C68 C69 1.346(13) . ?
C68 C73 1.402(13) . ?
C69 C70 1.384(13) . ?
C70 C71 1.384(14) . ?
C71 C72 1.415(14) . ?
C72 C73 1.386(13) . ?
C76 C77 1.348(13) . ?
C76 C81 1.398(13) . ?
C77 C78 1.389(15) . ?
C78 C79 1.376(15) . ?
C79 C80 1.311(14) . ?
C80 C81 1.393(15) . ?
C82 C87 1.377(12) . ?
C82 C83 1.404(12) . ?
C83 C84 1.404(14) . ?
C84 C85 1.346(15) . ?
C85 C86 1.366(14) . ?
C86 C87 1.370(13) . ?
C88 C93 1.387(11) . ?
C88 C89 1.423(12) . ?
C89 C90 1.363(12) . ?
C90 C91 1.392(12) . ?
C91 C92 1.389(13) . ?
C92 C93 1.373(12) . ?
C94 C99 1.364(12) . ?
C94 C95 1.367(14) . ?
C95 C96 1.369(13) . ?
C96 C97 1.359(14) . ?
C97 C98 1.374(15) . ?
C98 C99 1.415(13) . ?
C101 C102 1.338(14) . ?
C101 C106 1.365(13) . ?
C102 C103 1.437(14) . ?
C103 C104 1.394(15) . ?
C104 C105 1.342(15) . ?
C105 C106 1.387(14) . ?
C107 C108 1.375(13) . ?
C107 C112 1.387(12) . ?
C108 C109 1.376(14) . ?
C109 C110 1.322(15) . ?
C110 C111 1.322(16) . ?
C111 C112 1.408(15) . ?
C113 C118 1.372(12) . ?
C113 C114 1.373(12) . ?
C114 C115 1.384(13) . ?
C115 C116 1.345(13) . ?
C116 C117 1.378(14) . ?
C117 C118 1.352(14) . ?
C119 C124 1.347(15) . ?
C119 C120 1.382(15) . ?
C120 C121 1.398(15) . ?
C121 C122 1.354(18) . ?
C122 C123 1.360(18) . ?
C123 C124 1.434(15) . ?
Au1 P4 2.307(3) . ?
Au1 P2 2.318(3) . ?
Au1 S1 2.899(3) . ?
Au1 Au2 2.9556(6) . ?
Au2 P3 2.300(3) . ?
Au2 P5 2.347(3) . ?
Au2 S2 2.708(3) . ?
S1 P1 1.992(5) . ?
S2 P1 1.995(5) . ?
P1 O1 1.609(7) . ?
P1 C6 1.806(11) . ?
P2 C14 1.800(10) . ?
P2 C20 1.801(10) . ?
P2 C13 1.804(9) . ?
P3 C32 1.793(10) . ?
P3 C26 1.816(10) . ?
P3 C13 1.829(9) . ?
P4 C38 1.797(11) . ?
P4 C45 1.822(10) . ?
P4 C39 1.825(10) . ?
P5 C51 1.795(11) . ?
P5 C57 1.810(9) . ?
P5 C38 1.845(9) . ?
O1 C1 1.406(14) . ?
O2 C9 1.365(13) . ?
O2 C12 1.432(15) . ?
C1 C5C 1.536(16) . ?
C1 C2 1.542(16) . ?
C2 C3 1.500(19) . ?
C3 C4 1.51(2) . ?
C4 C5C 1.405(17) . ?
C6 C11 1.382(15) . ?
C6 C7 1.383(14) . ?
C7 C8 1.414(14) . ?
C8 C9 1.382(17) . ?
C9 C10 1.424(16) . ?
C10 C11 1.387(14) . ?
C14 C19 1.381(13) . ?
C14 C15 1.384(13) . ?
C15 C16 1.353(14) . ?
C16 C17 1.362(14) . ?
C17 C18 1.388(15) . ?
C18 C19 1.383(15) . ?
C20 C25 1.386(14) . ?
C20 C21 1.390(13) . ?
C21 C22 1.403(15) . ?
C22 C23 1.408(19) . ?
C23 C24 1.33(2) . ?
C24 C25 1.387(16) . ?
C26 C29 1.389(13) . ?
C26 C27 1.410(13) . ?
C27 C28 1.368(14) . ?
C28 C31 1.366(15) . ?
C29 C30 1.421(14) . ?
C30 C31 1.360(15) . ?
C32 C33 1.401(13) . ?
C32 C37 1.407(14) . ?
C33 C34 1.381(13) . ?
C34 C35 1.367(14) . ?
C35 C36 1.388(13) . ?
C36 C37 1.354(13) . ?
C39 C40 1.386(13) . ?
C39 C44 1.396(12) . ?
C40 C41 1.420(14) . ?
C41 C42 1.353(14) . ?
C42 C43 1.357(15) . ?
C43 C44 1.399(14) . ?
C45 C50 1.339(12) . ?
C45 C46 1.400(15) . ?
C46 C47 1.376(14) . ?
C47 C48 1.395(15) . ?
C48 C49 1.383(16) . ?
C49 C50 1.370(13) . ?
C51 C56 1.370(14) . ?
C51 C52 1.400(14) . ?
C52 C53 1.362(15) . ?
C53 C54 1.359(16) . ?
C54 C55 1.366(17) . ?
C55 C56 1.382(17) . ?
C57 C58 1.375(13) . ?
C57 C62 1.374(12) . ?
C58 C59 1.407(13) . ?
C59 C60 1.353(15) . ?
C60 C61 1.346(15) . ?
C61 C62 1.403(13) . ?
B1 F3 1.337(16) . ?
B1 F4 1.351(17) . ?
B1 F2 1.365(15) . ?
B1 F1 1.382(16) . ?
B2 F8 1.353(15) . ?
B2 F5 1.372(13) . ?
B2 F6 1.380(14) . ?
B2 F7 1.388(14) . ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P7 Au3 Au4 P10 -166.46(9) . . . . ?
P9 Au3 Au4 P10 -15.93(9) . . . . ?
S3 Au3 Au4 P10 72.53(9) . . . . ?
P7 Au3 Au4 P8 -2.37(9) . . . . ?
P9 Au3 Au4 P8 148.16(9) . . . . ?
S3 Au3 Au4 P8 -123.38(8) . . . . ?
P7 Au3 Au4 S4 80.15(9) . . . . ?
P9 Au3 Au4 S4 -129.32(8) . . . . ?
S3 Au3 Au4 S4 -40.86(8) . . . . ?
P7 Au3 S3 P6 -41.60(19) . . . . ?
P9 Au3 S3 P6 139.01(15) . . . . ?
Au4 Au3 S3 P6 53.29(14) . . . . ?
P10 Au4 S4 P6 -65.13(18) . . . . ?
P8 Au4 S4 P6 119.41(17) . . . . ?
Au3 Au4 S4 P6 27.57(14) . . . . ?
Au4 S4 P6 O3 -116.7(3) . . . . ?
Au4 S4 P6 C68 126.1(4) . . . . ?
Au4 S4 P6 S3 5.1(2) . . . . ?
Au3 S3 P6 O3 85.6(3) . . . . ?
Au3 S3 P6 C68 -162.8(4) . . . . ?
Au3 S3 P6 S4 -40.0(2) . . . . ?
P9 Au3 P7 C76 134.9(4) . . . . ?
S3 Au3 P7 C76 -43.9(4) . . . . ?
Au4 Au3 P7 C76 -140.9(4) . . . . ?
P9 Au3 P7 C82 15.7(5) . . . . ?
S3 Au3 P7 C82 -163.1(4) . . . . ?
Au4 Au3 P7 C82 99.9(4) . . . . ?
P9 Au3 P7 C75 -104.6(4) . . . . ?
S3 Au3 P7 C75 76.6(4) . . . . ?
Au4 Au3 P7 C75 -20.4(3) . . . . ?
P10 Au4 P8 C75 137.7(4) . . . . ?
S4 Au4 P8 C75 -56.6(3) . . . . ?
Au3 Au4 P8 C75 25.9(3) . . . . ?
P10 Au4 P8 C88 16.5(5) . . . . ?
S4 Au4 P8 C88 -177.8(4) . . . . ?
Au3 Au4 P8 C88 -95.3(4) . . . . ?
P10 Au4 P8 C94 -101.9(5) . . . . ?
S4 Au4 P8 C94 63.9(4) . . . . ?
Au3 Au4 P8 C94 146.4(4) . . . . ?
P7 Au3 P9 C101 -118.5(4) . . . . ?
S3 Au3 P9 C101 60.5(4) . . . . ?
Au4 Au3 P9 C101 155.9(4) . . . . ?
P7 Au3 P9 C107 5.8(4) . . . . ?
S3 Au3 P9 C107 -175.3(3) . . . . ?
Au4 Au3 P9 C107 -79.9(3) . . . . ?
P7 Au3 P9 C100 124.1(3) . . . . ?
S3 Au3 P9 C100 -56.9(3) . . . . ?
Au4 Au3 P9 C100 38.5(3) . . . . ?
P8 Au4 P10 C119 122.5(5) . . . . ?
S4 Au4 P10 C119 -42.0(5) . . . . ?
Au3 Au4 P10 C119 -126.3(4) . . . . ?
P8 Au4 P10 C100 -118.9(4) . . . . ?
S4 Au4 P10 C100 76.7(3) . . . . ?
Au3 Au4 P10 C100 -7.7(3) . . . . ?
P8 Au4 P10 C113 0.4(5) . . . . ?
S4 Au4 P10 C113 -164.1(3) . . . . ?
Au3 Au4 P10 C113 111.5(3) . . . . ?
C68 P6 O3 C63 65.7(8) . . . . ?
S4 P6 O3 C63 -53.4(7) . . . . ?
S3 P6 O3 C63 176.9(7) . . . . ?
P6 O3 C63 C67 126.2(10) . . . . ?
P6 O3 C63 C64 -119.9(10) . . . . ?
O3 C63 C64 C65 -145.2(16) . . . . ?
C67 C63 C64 C65 -25(2) . . . . ?
C63 C64 C65 C66 17(3) . . . . ?
C64 C65 C66 C67 -2(3) . . . . ?
O3 C63 C67 C66 142.7(13) . . . . ?
C64 C63 C67 C66 23.7(17) . . . . ?
C65 C66 C67 C63 -15(2) . . . . ?
O3 P6 C68 C69 -128.2(9) . . . . ?
S4 P6 C68 C69 -7.3(10) . . . . ?
S3 P6 C68 C69 121.3(9) . . . . ?
O3 P6 C68 C73 50.9(9) . . . . ?
S4 P6 C68 C73 171.9(8) . . . . ?
S3 P6 C68 C73 -59.5(9) . . . . ?
C73 C68 C69 C70 0.3(17) . . . . ?
P6 C68 C69 C70 179.5(9) . . . . ?
C68 C69 C70 C71 1.5(17) . . . . ?
C74 O4 C71 C70 0.7(16) . . . . ?
C74 O4 C71 C72 -174.5(10) . . . . ?
C69 C70 C71 O4 -178.6(10) . . . . ?
C69 C70 C71 C72 -3.7(16) . . . . ?
O4 C71 C72 C73 179.6(9) . . . . ?
C70 C71 C72 C73 4.1(17) . . . . ?
C71 C72 C73 C68 -2.4(17) . . . . ?
C69 C68 C73 C72 0.2(16) . . . . ?
P6 C68 C73 C72 -179.0(9) . . . . ?
C88 P8 C75 P7 81.6(5) . . . . ?
C94 P8 C75 P7 -169.5(4) . . . . ?
Au4 P8 C75 P7 -47.5(5) . . . . ?
C76 P7 C75 P8 172.4(5) . . . . ?
C82 P7 C75 P8 -79.3(6) . . . . ?
Au3 P7 C75 P8 44.7(5) . . . . ?
C82 P7 C76 C77 108.7(9) . . . . ?
C75 P7 C76 C77 -140.7(8) . . . . ?
Au3 P7 C76 C77 -15.6(10) . . . . ?
C82 P7 C76 C81 -66.3(9) . . . . ?
C75 P7 C76 C81 44.3(9) . . . . ?
Au3 P7 C76 C81 169.4(7) . . . . ?
C81 C76 C77 C78 1.4(16) . . . . ?
P7 C76 C77 C78 -173.8(9) . . . . ?
C76 C77 C78 C79 -2.5(19) . . . . ?
C77 C78 C79 C80 1.5(19) . . . . ?
C78 C79 C80 C81 1(2) . . . . ?
C79 C80 C81 C76 -2(2) . . . . ?
C77 C76 C81 C80 0.6(16) . . . . ?
P7 C76 C81 C80 175.8(9) . . . . ?
C76 P7 C82 C87 78.3(10) . . . . ?
C75 P7 C82 C87 -30.6(11) . . . . ?
Au3 P7 C82 C87 -154.7(8) . . . . ?
C76 P7 C82 C83 -98.7(9) . . . . ?
C75 P7 C82 C83 152.4(9) . . . . ?
Au3 P7 C82 C83 28.3(10) . . . . ?
C87 C82 C83 C84 -0.4(18) . . . . ?
P7 C82 C83 C84 176.8(10) . . . . ?
C82 C83 C84 C85 1(2) . . . . ?
C83 C84 C85 C86 -1(2) . . . . ?
C84 C85 C86 C87 -1(2) . . . . ?
C85 C86 C87 C82 1.7(19) . . . . ?
C83 C82 C87 C86 -1.1(17) . . . . ?
P7 C82 C87 C86 -178.1(9) . . . . ?
C75 P8 C88 C93 71.4(9) . . . . ?
C94 P8 C88 C93 -40.7(10) . . . . ?
Au4 P8 C88 C93 -162.6(7) . . . . ?
C75 P8 C88 C89 -109.4(8) . . . . ?
C94 P8 C88 C89 138.5(8) . . . . ?
Au4 P8 C88 C89 16.5(9) . . . . ?
C93 C88 C89 C90 -3.7(15) . . . . ?
P8 C88 C89 C90 177.1(8) . . . . ?
C88 C89 C90 C91 4.3(17) . . . . ?
C89 C90 C91 C92 -4.6(18) . . . . ?
C90 C91 C92 C93 4.1(17) . . . . ?
C91 C92 C93 C88 -3.6(17) . . . . ?
C89 C88 C93 C92 3.4(15) . . . . ?
P8 C88 C93 C92 -177.4(8) . . . . ?
C75 P8 C94 C99 -4.3(9) . . . . ?
C88 P8 C94 C99 104.9(8) . . . . ?
Au4 P8 C94 C99 -128.0(7) . . . . ?
C75 P8 C94 C95 174.1(8) . . . . ?
C88 P8 C94 C95 -76.8(8) . . . . ?
Au4 P8 C94 C95 50.3(8) . . . . ?
C99 C94 C95 C96 -1.0(16) . . . . ?
P8 C94 C95 C96 -179.4(8) . . . . ?
C94 C95 C96 C97 0.9(17) . . . . ?
C95 C96 C97 C98 -0.2(17) . . . . ?
C96 C97 C98 C99 -0.4(16) . . . . ?
C95 C94 C99 C98 0.5(14) . . . . ?
P8 C94 C99 C98 178.7(7) . . . . ?
C97 C98 C99 C94 0.2(14) . . . . ?
C119 P10 C100 P9 163.4(6) . . . . ?
C113 P10 C100 P9 -82.7(6) . . . . ?
Au4 P10 C100 P9 38.7(6) . . . . ?
C101 P9 C100 P10 179.8(5) . . . . ?
C107 P9 C100 P10 68.1(6) . . . . ?
Au3 P9 C100 P10 -56.5(6) . . . . ?
C107 P9 C101 C102 -102.1(9) . . . . ?
C100 P9 C101 C102 147.6(9) . . . . ?
Au3 P9 C101 C102 26.6(10) . . . . ?
C107 P9 C101 C106 76.1(10) . . . . ?
C100 P9 C101 C106 -34.1(10) . . . . ?
Au3 P9 C101 C106 -155.2(8) . . . . ?
C106 C101 C102 C103 0.1(18) . . . . ?
P9 C101 C102 C103 178.5(9) . . . . ?
C101 C102 C103 C104 -0.6(19) . . . . ?
C102 C103 C104 C105 0.1(19) . . . . ?
C103 C104 C105 C106 0.9(19) . . . . ?
C102 C101 C106 C105 0.9(17) . . . . ?
P9 C101 C106 C105 -177.3(9) . . . . ?
C104 C105 C106 C101 -1.4(19) . . . . ?
C101 P9 C107 C108 133.4(9) . . . . ?
C100 P9 C107 C108 -116.8(9) . . . . ?
Au3 P9 C107 C108 5.0(10) . . . . ?
C101 P9 C107 C112 -46.6(10) . . . . ?
C100 P9 C107 C112 63.2(10) . . . . ?
Au3 P9 C107 C112 -175.1(8) . . . . ?
C112 C107 C108 C109 -1.7(17) . . . . ?
P9 C107 C108 C109 178.3(9) . . . . ?
C107 C108 C109 C110 0(2) . . . . ?
C108 C109 C110 C111 -1(2) . . . . ?
C109 C110 C111 C112 3(2) . . . . ?
C108 C107 C112 C111 3.5(17) . . . . ?
P9 C107 C112 C111 -176.4(9) . . . . ?
C110 C111 C112 C107 -4(2) . . . . ?
C119 P10 C113 C118 74.0(9) . . . . ?
C100 P10 C113 C118 -38.2(10) . . . . ?
Au4 P10 C113 C118 -159.4(8) . . . . ?
C119 P10 C113 C114 -110.4(8) . . . . ?
C100 P10 C113 C114 137.4(8) . . . . ?
Au4 P10 C113 C114 16.2(9) . . . . ?
C118 C113 C114 C115 -0.9(16) . . . . ?
P10 C113 C114 C115 -176.6(8) . . . . ?
C113 C114 C115 C116 0.2(16) . . . . ?
C114 C115 C116 C117 -1.0(17) . . . . ?
C115 C116 C117 C118 3(2) . . . . ?
C116 C117 C118 C113 -3(2) . . . . ?
C114 C113 C118 C117 2.4(17) . . . . ?
P10 C113 C118 C117 178.1(9) . . . . ?
C100 P10 C119 C124 117.9(10) . . . . ?
C113 P10 C119 C124 3.9(11) . . . . ?
Au4 P10 C119 C124 -120.2(9) . . . . ?
C100 P10 C119 C120 -66.6(9) . . . . ?
C113 P10 C119 C120 179.4(8) . . . . ?
Au4 P10 C119 C120 55.3(9) . . . . ?
C124 C119 C120 C121 -3.2(16) . . . . ?
P10 C119 C120 C121 -178.8(8) . . . . ?
C119 C120 C121 C122 3.6(19) . . . . ?
C120 C121 C122 C123 -2(2) . . . . ?
C121 C122 C123 C124 1(2) . . . . ?
C120 C119 C124 C123 1.9(18) . . . . ?
P10 C119 C124 C123 177.2(9) . . . . ?
C122 C123 C124 C119 -1(2) . . . . ?
P4 Au1 Au2 P3 168.55(9) . . . . ?
P2 Au1 Au2 P3 2.88(9) . . . . ?
S1 Au1 Au2 P3 -80.40(9) . . . . ?
P4 Au1 Au2 P5 13.63(9) . . . . ?
P2 Au1 Au2 P5 -152.04(9) . . . . ?
S1 Au1 Au2 P5 124.68(9) . . . . ?
P4 Au1 Au2 S2 -73.04(9) . . . . ?
P2 Au1 Au2 S2 121.28(9) . . . . ?
S1 Au1 Au2 S2 38.00(9) . . . . ?
P4 Au1 S1 P1 68.41(18) . . . . ?
P2 Au1 S1 P1 -114.89(17) . . . . ?
Au2 Au1 S1 P1 -24.58(15) . . . . ?
P3 Au2 S2 P1 42.4(2) . . . . ?
P5 Au2 S2 P1 -139.69(17) . . . . ?
Au1 Au2 S2 P1 -52.39(15) . . . . ?
Au1 S1 P1 O1 -129.3(3) . . . . ?
Au1 S1 P1 C6 116.2(4) . . . . ?
Au1 S1 P1 S2 -9.6(3) . . . . ?
Au2 S2 P1 O1 167.3(3) . . . . ?
Au2 S2 P1 C6 -83.6(4) . . . . ?
Au2 S2 P1 S1 42.8(2) . . . . ?
P4 Au1 P2 C14 107.7(5) . . . . ?
S1 Au1 P2 C14 -60.2(4) . . . . ?
Au2 Au1 P2 C14 -146.4(4) . . . . ?
P4 Au1 P2 C20 -13.9(6) . . . . ?
S1 Au1 P2 C20 178.1(4) . . . . ?
Au2 Au1 P2 C20 91.9(4) . . . . ?
P4 Au1 P2 C13 -131.6(5) . . . . ?
S1 Au1 P2 C13 60.4(3) . . . . ?
Au2 Au1 P2 C13 -25.8(3) . . . . ?
P5 Au2 P3 C32 -131.7(4) . . . . ?
S2 Au2 P3 C32 43.4(4) . . . . ?
Au1 Au2 P3 C32 138.1(4) . . . . ?
P5 Au2 P3 C26 -9.3(5) . . . . ?
S2 Au2 P3 C26 165.9(4) . . . . ?
Au1 Au2 P3 C26 -99.4(4) . . . . ?
P5 Au2 P3 C13 109.8(4) . . . . ?
S2 Au2 P3 C13 -75.1(4) . . . . ?
Au1 Au2 P3 C13 19.6(3) . . . . ?
P2 Au1 P4 C38 114.0(5) . . . . ?
S1 Au1 P4 C38 -78.9(3) . . . . ?
Au2 Au1 P4 C38 8.7(3) . . . . ?
P2 Au1 P4 C45 -7.2(6) . . . . ?
S1 Au1 P4 C45 160.0(4) . . . . ?
Au2 Au1 P4 C45 -112.4(4) . . . . ?
P2 Au1 P4 C39 -126.4(5) . . . . ?
S1 Au1 P4 C39 40.7(4) . . . . ?
Au2 Au1 P4 C39 128.3(4) . . . . ?
P3 Au2 P5 C51 114.9(4) . . . . ?
S2 Au2 P5 C51 -60.8(4) . . . . ?
Au1 Au2 P5 C51 -153.8(4) . . . . ?
P3 Au2 P5 C57 -4.1(5) . . . . ?
S2 Au2 P5 C57 -179.8(4) . . . . ?
Au1 Au2 P5 C57 87.2(4) . . . . ?
P3 Au2 P5 C38 -126.1(4) . . . . ?
S2 Au2 P5 C38 58.1(4) . . . . ?
Au1 Au2 P5 C38 -34.8(4) . . . . ?
C6 P1 O1 C1 92.1(10) . . . . ?
S1 P1 O1 C1 -26.3(10) . . . . ?
S2 P1 O1 C1 -154.7(8) . . . . ?
P1 O1 C1 C5C -77.5(13) . . . . ?
P1 O1 C1 C2 168.8(8) . . . . ?
O1 C1 C2 C3 139.9(13) . . . . ?
C5C C1 C2 C3 20.3(19) . . . . ?
C1 C2 C3 C4 -6(2) . . . . ?
C2 C3 C4 C5C -12(2) . . . . ?
C3 C4 C5C C1 25(2) . . . . ?
O1 C1 C5C C4 -144.0(16) . . . . ?
C2 C1 C5C C4 -27(2) . . . . ?
O1 P1 C6 C11 62.1(10) . . . . ?
S1 P1 C6 C11 -177.8(8) . . . . ?
S2 P1 C6 C11 -46.6(9) . . . . ?
O1 P1 C6 C7 -115.4(9) . . . . ?
S1 P1 C6 C7 4.7(10) . . . . ?
S2 P1 C6 C7 135.8(8) . . . . ?
C11 C6 C7 C8 1.9(16) . . . . ?
P1 C6 C7 C8 179.4(8) . . . . ?
C6 C7 C8 C9 -1.8(16) . . . . ?
C12 O2 C9 C8 -2.9(17) . . . . ?
C12 O2 C9 C10 177.6(10) . . . . ?
C7 C8 C9 O2 -179.2(9) . . . . ?
C7 C8 C9 C10 0.3(17) . . . . ?
O2 C9 C10 C11 -179.3(9) . . . . ?
C8 C9 C10 C11 1.1(17) . . . . ?
C7 C6 C11 C10 -0.4(16) . . . . ?
P1 C6 C11 C10 -178.0(7) . . . . ?
C9 C10 C11 C6 -1.0(16) . . . . ?
C14 P2 C13 P3 173.9(5) . . . . ?
C20 P2 C13 P3 -75.9(6) . . . . ?
Au1 P2 C13 P3 48.0(6) . . . . ?
C32 P3 C13 P2 -171.4(5) . . . . ?
C26 P3 C13 P2 79.9(6) . . . . ?
Au2 P3 C13 P2 -44.2(6) . . . . ?
C20 P2 C14 C19 90.2(10) . . . . ?
C13 P2 C14 C19 -161.0(9) . . . . ?
Au1 P2 C14 C19 -36.2(10) . . . . ?
C20 P2 C14 C15 -85.1(10) . . . . ?
C13 P2 C14 C15 23.8(10) . . . . ?
Au1 P2 C14 C15 148.5(8) . . . . ?
C19 C14 C15 C16 -2.3(17) . . . . ?
P2 C14 C15 C16 173.0(9) . . . . ?
C14 C15 C16 C17 -1.6(19) . . . . ?
C15 C16 C17 C18 5(2) . . . . ?
C16 C17 C18 C19 -4(2) . . . . ?
C15 C14 C19 C18 3.2(18) . . . . ?
P2 C14 C19 C18 -172.3(10) . . . . ?
C17 C18 C19 C14 0(2) . . . . ?
C14 P2 C20 C25 45.1(10) . . . . ?
C13 P2 C20 C25 -65.1(10) . . . . ?
Au1 P2 C20 C25 171.9(8) . . . . ?
C14 P2 C20 C21 -133.9(9) . . . . ?
C13 P2 C20 C21 115.8(10) . . . . ?
Au1 P2 C20 C21 -7.2(10) . . . . ?
C25 C20 C21 C22 4.2(18) . . . . ?
P2 C20 C21 C22 -176.7(10) . . . . ?
C20 C21 C22 C23 -3(2) . . . . ?
C21 C22 C23 C24 -1(3) . . . . ?
C22 C23 C24 C25 3(3) . . . . ?
C21 C20 C25 C24 -2.1(17) . . . . ?
P2 C20 C25 C24 178.8(10) . . . . ?
C23 C24 C25 C20 -1(2) . . . . ?
C32 P3 C26 C29 -71.6(10) . . . . ?
C13 P3 C26 C29 36.2(10) . . . . ?
Au2 P3 C26 C29 158.7(8) . . . . ?
C32 P3 C26 C27 112.2(9) . . . . ?
C13 P3 C26 C27 -140.0(8) . . . . ?
Au2 P3 C26 C27 -17.5(9) . . . . ?
C29 C26 C27 C28 3.2(17) . . . . ?
P3 C26 C27 C28 179.6(9) . . . . ?
C26 C27 C28 C31 -3.6(19) . . . . ?
C27 C26 C29 C30 -2.2(16) . . . . ?
P3 C26 C29 C30 -178.4(8) . . . . ?
C26 C29 C30 C31 1.7(18) . . . . ?
C29 C30 C31 C28 -2(2) . . . . ?
C27 C28 C31 C30 3(2) . . . . ?
C26 P3 C32 C33 64.2(9) . . . . ?
C13 P3 C32 C33 -45.4(9) . . . . ?
Au2 P3 C32 C33 -168.5(7) . . . . ?
C26 P3 C32 C37 -111.8(9) . . . . ?
C13 P3 C32 C37 138.6(8) . . . . ?
Au2 P3 C32 C37 15.5(10) . . . . ?
C37 C32 C33 C34 -1.1(15) . . . . ?
P3 C32 C33 C34 -177.2(8) . . . . ?
C32 C33 C34 C35 1.5(16) . . . . ?
C33 C34 C35 C36 -1.7(17) . . . . ?
C34 C35 C36 C37 1.5(16) . . . . ?
C35 C36 C37 C32 -1.1(16) . . . . ?
C33 C32 C37 C36 0.9(15) . . . . ?
P3 C32 C37 C36 177.0(8) . . . . ?
C45 P4 C38 P5 87.2(6) . . . . ?
C39 P4 C38 P5 -161.8(5) . . . . ?
Au1 P4 C38 P5 -36.8(6) . . . . ?
C51 P5 C38 P4 173.7(5) . . . . ?
C57 P5 C38 P4 -76.0(6) . . . . ?
Au2 P5 C38 P4 51.6(6) . . . . ?
C38 P4 C39 C40 119.3(9) . . . . ?
C45 P4 C39 C40 -128.1(9) . . . . ?
Au1 P4 C39 C40 -4.7(10) . . . . ?
C38 P4 C39 C44 -69.4(10) . . . . ?
C45 P4 C39 C44 43.3(10) . . . . ?
Au1 P4 C39 C44 166.6(8) . . . . ?
C44 C39 C40 C41 3.4(17) . . . . ?
P4 C39 C40 C41 174.8(10) . . . . ?
C39 C40 C41 C42 -5(2) . . . . ?
C40 C41 C42 C43 5(2) . . . . ?
C41 C42 C43 C44 -5(2) . . . . ?
C40 C39 C44 C43 -2.7(16) . . . . ?
P4 C39 C44 C43 -173.9(8) . . . . ?
C42 C43 C44 C39 3.3(18) . . . . ?
C38 P4 C45 C50 22.0(10) . . . . ?
C39 P4 C45 C50 -89.0(10) . . . . ?
Au1 P4 C45 C50 146.3(8) . . . . ?
C38 P4 C45 C46 -166.6(8) . . . . ?
C39 P4 C45 C46 82.5(9) . . . . ?
Au1 P4 C45 C46 -42.2(9) . . . . ?
C50 C45 C46 C47 0.4(17) . . . . ?
P4 C45 C46 C47 -171.8(9) . . . . ?
C45 C46 C47 C48 -1.2(18) . . . . ?
C46 C47 C48 C49 0.3(19) . . . . ?
C47 C48 C49 C50 1.4(19) . . . . ?
C46 C45 C50 C49 1.4(16) . . . . ?
P4 C45 C50 C49 172.6(8) . . . . ?
C48 C49 C50 C45 -2.3(18) . . . . ?
C57 P5 C51 C56 -93.2(11) . . . . ?
C38 P5 C51 C56 18.6(11) . . . . ?
Au2 P5 C51 C56 140.8(10) . . . . ?
C57 P5 C51 C52 87.6(8) . . . . ?
C38 P5 C51 C52 -160.6(8) . . . . ?
Au2 P5 C51 C52 -38.4(9) . . . . ?
C56 C51 C52 C53 1.7(17) . . . . ?
P5 C51 C52 C53 -179.1(9) . . . . ?
C51 C52 C53 C54 1(2) . . . . ?
C52 C53 C54 C55 -4(2) . . . . ?
C53 C54 C55 C56 4(3) . . . . ?
C52 C51 C56 C55 -2(2) . . . . ?
P5 C51 C56 C55 178.9(12) . . . . ?
C54 C55 C56 C51 -1(3) . . . . ?
C51 P5 C57 C58 -141.1(9) . . . . ?
C38 P5 C57 C58 107.0(9) . . . . ?
Au2 P5 C57 C58 -18.0(10) . . . . ?
C51 P5 C57 C62 39.0(10) . . . . ?
C38 P5 C57 C62 -73.0(10) . . . . ?
Au2 P5 C57 C62 162.1(8) . . . . ?
C62 C57 C58 C59 -2.6(17) . . . . ?
P5 C57 C58 C59 177.4(9) . . . . ?
C57 C58 C59 C60 2.3(19) . . . . ?
C58 C59 C60 C61 -2(2) . . . . ?
C59 C60 C61 C62 2(2) . . . . ?
C58 C57 C62 C61 2.3(16) . . . . ?
P5 C57 C62 C61 -177.7(8) . . . . ?
C60 C61 C62 C57 -1.8(18) . . . . ?
