# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_audit_block_doi                 10.5517/ccdc.csd.cc282n01
_database_code_depnum_ccdc_archive 'CCDC 2087912'
loop_
_audit_author_name
_audit_author_address
'Tan Geok Kheng'
;National University of Singapore
Singapore
;
_audit_update_record             
;
2021-06-15 deposited with the CCDC.	2021-07-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C96 H84 Au4 O2 P4 S4'
_chemical_formula_weight         2309.61

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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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. 
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.8550(6)
_cell_length_b                   13.0540(7)
_cell_length_c                   13.8019(7)
_cell_angle_alpha                109.2250(16)
_cell_angle_beta                 99.6320(17)
_cell_angle_gamma                100.9310(16)
_cell_volume                     2080.26(18)
_cell_formula_units_Z            1
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9850
_cell_measurement_theta_min      2.75
_cell_measurement_theta_max      28.34

_exptl_crystal_description       Thin_Plate
_exptl_crystal_colour            Red
_exptl_crystal_density_meas      'Not Measured'
_exptl_crystal_density_method    'Not Measured'
_exptl_crystal_density_diffrn    1.844
_exptl_crystal_F_000             1116
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.070
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    7.258
_shelx_estimated_absorpt_T_min   0.325
_shelx_estimated_absorpt_T_max   0.670
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.1768
_exptl_absorpt_correction_T_max  0.2627
_exptl_absorpt_process_details   'Sadabs, (Sheldrick 2012)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Microfocus Sealed Tube'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            45610
_diffrn_reflns_av_unetI/netI     0.0352
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.051
_diffrn_reflns_theta_max         28.344
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             10343
_reflns_number_gt                8608
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
; 
 Reflections were merged by SHELXL according to the crystal 
 class for the calculation of statistics and refinement. 
  
 _reflns_Friedel_fraction is defined as the number of unique 
 Friedel pairs measured divided by the number that would be 
 possible theoretically, ignoring centric projections and 
 systematic absences. 
;

_computing_bruker_data_scaling   'SADABS V2012/1 (Bruker AXS Inc.)'
_computing_cell_refinement       'APEX3 v2016.1-0 (Bruker AXS)'
_computing_data_collection       'APEX3 (Bruker AXS)'
_computing_data_reduction        'SAINT V8.32B (Bruker AXS Inc., 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL--2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXT--(Sheldrick 2015)'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0281P)²+3.3396P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10343
_refine_ls_number_parameters     498
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0388
_refine_ls_R_factor_gt           0.0268
_refine_ls_wR_factor_ref         0.0621
_refine_ls_wR_factor_gt          0.0582
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000

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 0.30581(2) 0.69123(2) 0.56613(2) 0.01513(4) Uani 1 1 d . . . . .
Au2 Au 0.45657(2) 1.32427(2) 0.39046(2) 0.01367(4) Uani 1 1 d . . . . .
P1 P 0.24916(7) 0.71872(8) 0.41515(8) 0.01412(18) Uani 1 1 d . . . . .
P2 P 0.31838(7) 1.16490(8) 0.31337(8) 0.01349(18) Uani 1 1 d . . . . .
S1 S 0.39304(7) 0.52134(7) 0.56659(7) 0.01475(18) Uani 1 1 d . . . . .
S2 S 0.31539(8) 0.72368(8) 0.74527(8) 0.01874(19) Uani 1 1 d . . . . .
C1 C 0.3925(3) 0.5285(3) 0.6973(3) 0.0152(7) Uani 1 1 d . . . . .
C2 C 0.4210(3) 0.4421(3) 0.7253(3) 0.0199(8) Uani 1 1 d . . . . .
H2 H 0.436383 0.381822 0.673763 0.024 Uiso 1 1 calc R U . . .
C3 C 0.4271(3) 0.4426(4) 0.8262(3) 0.0242(9) Uani 1 1 d . . . . .
H3 H 0.445657 0.382717 0.843722 0.029 Uiso 1 1 calc R U . . .
C4 C 0.4061(3) 0.5313(4) 0.9017(3) 0.0249(9) Uani 1 1 d . . . . .
H4 H 0.412869 0.533698 0.972114 0.030 Uiso 1 1 calc R U . . .
C5 C 0.3753(3) 0.6162(4) 0.8749(3) 0.0219(8) Uani 1 1 d . . . . .
H5 H 0.361094 0.676310 0.927640 0.026 Uiso 1 1 calc R U . . .
C6 C 0.3645(3) 0.6160(3) 0.7716(3) 0.0167(7) Uani 1 1 d . . . . .
C7 C 0.2936(3) 0.8619(3) 0.4186(3) 0.0134(7) Uani 1 1 d . . . . .
C8 C 0.3851(3) 0.8951(3) 0.3811(3) 0.0147(7) Uani 1 1 d . . . . .
C9 C 0.4671(3) 0.8349(3) 0.3683(3) 0.0170(7) Uani 1 1 d . . . . .
H9 H 0.461325 0.770477 0.386862 0.020 Uiso 1 1 calc R U . . .
C10 C 0.5532(3) 0.8676(3) 0.3301(3) 0.0194(8) Uani 1 1 d . . . . .
H10 H 0.606156 0.825614 0.321824 0.023 Uiso 1 1 calc R U . . .
C11 C 0.5646(3) 0.9631(3) 0.3026(3) 0.0195(8) Uani 1 1 d . . . . .
H11 H 0.624338 0.984489 0.274809 0.023 Uiso 1 1 calc R U . . .
C12 C 0.4898(3) 1.0254(3) 0.3158(3) 0.0167(7) Uani 1 1 d . . . . .
H12 H 0.499047 1.090179 0.297673 0.020 Uiso 1 1 calc R U . . .
C13 C 0.3988(3) 0.9956(3) 0.3560(3) 0.0148(7) Uani 1 1 d . . . . .
C14 C 0.3222(3) 1.0607(3) 0.3755(3) 0.0154(7) Uani 1 1 d . . . . .
C15 C 0.2531(3) 1.0448(3) 0.4412(3) 0.0144(7) Uani 1 1 d . . . . .
C16 C 0.2027(3) 1.1285(3) 0.4940(3) 0.0180(8) Uani 1 1 d . . . . .
H16 H 0.214527 1.197704 0.483456 0.022 Uiso 1 1 calc R U . . .
C17 C 0.1384(3) 1.1114(3) 0.5591(3) 0.0214(8) Uani 1 1 d . . . . .
H17 H 0.106545 1.168822 0.593640 0.026 Uiso 1 1 calc R U . . .
C18 C 0.1186(3) 1.0090(3) 0.5758(3) 0.0201(8) Uani 1 1 d . . . . .
H18 H 0.072570 0.997304 0.620477 0.024 Uiso 1 1 calc R U . . .
C19 C 0.1658(3) 0.9265(3) 0.5276(3) 0.0172(8) Uani 1 1 d . . . . .
H19 H 0.151043 0.857626 0.538673 0.021 Uiso 1 1 calc R U . . .
C20 C 0.2365(3) 0.9416(3) 0.4613(3) 0.0150(7) Uani 1 1 d . . . . .
C1W C 0.1813(3) 1.1867(3) 0.2987(3) 0.0167(7) Uani 1 1 d . . . . .
C2W C 0.1734(3) 1.2974(3) 0.3424(3) 0.0221(8) Uani 1 1 d . . . . .
H2W H 0.237626 1.357566 0.377239 0.027 Uiso 1 1 calc R U . . .
C3W C 0.0702(3) 1.3189(4) 0.3343(4) 0.0277(9) Uani 1 1 d . . . . .
H3W H 0.064924 1.393788 0.365018 0.033 Uiso 1 1 calc R U . . .
C4W C -0.0235(4) 1.2330(4) 0.2827(4) 0.0317(10) Uani 1 1 d . . . . .
H4W H -0.093144 1.248311 0.277283 0.038 Uiso 1 1 calc R U . . .
C5W C -0.0150(3) 1.1235(4) 0.2384(4) 0.0298(10) Uani 1 1 d . . . . .
H5W H -0.079488 1.063892 0.202369 0.036 Uiso 1 1 calc R U . . .
C6W C 0.0865(3) 1.1001(3) 0.2462(3) 0.0238(9) Uani 1 1 d . . . . .
H6W H 0.091096 1.024877 0.215632 0.029 Uiso 1 1 calc R U . . .
C1X C 0.3254(3) 1.0919(3) 0.1774(3) 0.0164(7) Uani 1 1 d . . . . .
C2X C 0.3902(3) 1.1500(3) 0.1315(3) 0.0218(8) Uani 1 1 d . . . . .
H2X H 0.428301 1.226714 0.170355 0.026 Uiso 1 1 calc R U . . .
C3X C 0.4002(4) 1.0972(4) 0.0292(3) 0.0295(10) Uani 1 1 d . . . . .
H3X H 0.445103 1.137667 -0.001306 0.035 Uiso 1 1 calc R U . . .
C4X C 0.3444(4) 0.9855(4) -0.0280(4) 0.0320(10) Uani 1 1 d . . . . .
H4X H 0.351214 0.949187 -0.097713 0.038 Uiso 1 1 calc R U . . .
C5X C 0.2785(4) 0.9264(4) 0.0168(3) 0.0300(10) Uani 1 1 d . . . . .
H5X H 0.239861 0.849928 -0.022616 0.036 Uiso 1 1 calc R U . . .
C6X C 0.2689(3) 0.9792(3) 0.1195(3) 0.0234(8) Uani 1 1 d . . . . .
H6X H 0.224092 0.938669 0.150084 0.028 Uiso 1 1 calc R U . . .
C1Y C 0.0994(3) 0.6808(3) 0.3709(3) 0.0156(7) Uani 1 1 d . . . . .
C2Y C 0.0475(3) 0.6991(3) 0.2833(3) 0.0225(8) Uani 1 1 d . . . . .
H2Y H 0.088930 0.741954 0.252201 0.027 Uiso 1 1 calc R U . . .
C3Y C -0.0642(3) 0.6550(4) 0.2413(3) 0.0264(9) Uani 1 1 d . . . . .
H3Y H -0.098842 0.665753 0.180306 0.032 Uiso 1 1 calc R U . . .
C4Y C -0.1254(3) 0.5951(4) 0.2882(3) 0.0258(9) Uani 1 1 d . . . . .
H4Y H -0.202011 0.564573 0.259286 0.031 Uiso 1 1 calc R U . . .
C5Y C -0.0753(3) 0.5797(4) 0.3769(3) 0.0251(9) Uani 1 1 d . . . . .
H5Y H -0.117742 0.540454 0.410034 0.030 Uiso 1 1 calc R U . . .
C6Y C 0.0370(3) 0.6213(3) 0.4178(3) 0.0210(8) Uani 1 1 d . . . . .
H6Y H 0.071282 0.609187 0.478082 0.025 Uiso 1 1 calc R U . . .
C1Z C 0.2761(3) 0.6274(3) 0.2944(3) 0.0163(7) Uani 1 1 d . . . . .
C2Z C 0.2590(3) 0.6451(3) 0.1995(3) 0.0209(8) Uani 1 1 d . . . . .
H2Z H 0.243693 0.713055 0.198071 0.025 Uiso 1 1 calc R U . . .
C3Z C 0.2643(3) 0.5635(4) 0.1068(3) 0.0257(9) Uani 1 1 d . . . . .
H3Z H 0.251668 0.575605 0.042120 0.031 Uiso 1 1 calc R U . . .
C4Z C 0.2879(3) 0.4651(3) 0.1083(3) 0.0229(8) Uani 1 1 d . . . . .
H4Z H 0.290172 0.409012 0.044567 0.028 Uiso 1 1 calc R U . . .
C5Z C 0.3081(3) 0.4485(3) 0.2026(3) 0.0246(9) Uani 1 1 d . . . . .
H5Z H 0.325889 0.381586 0.204033 0.029 Uiso 1 1 calc R U . . .
C6Z C 0.3025(3) 0.5289(3) 0.2949(3) 0.0196(8) Uani 1 1 d . . . . .
H6Z H 0.316824 0.516832 0.359536 0.024 Uiso 1 1 calc R U . . .
O1S O 0.0733(3) 0.2429(3) 0.9569(3) 0.0471(9) Uani 1 1 d . . . . .
C1S C -0.0392(5) 0.3446(6) 1.0470(6) 0.0667(18) Uani 1 1 d . . . . .
H1S1 H 0.009724 0.414584 1.052010 0.100 Uiso 1 1 calc R U . . .
H1S2 H -0.070401 0.359009 1.108747 0.100 Uiso 1 1 calc R U . . .
H1S3 H -0.098333 0.316544 0.982266 0.100 Uiso 1 1 calc R U . . .
C2S C 0.0261(4) 0.2555(6) 1.0435(4) 0.0522(16) Uani 1 1 d . . . . .
H2S1 H 0.083695 0.281029 1.110112 0.063 Uiso 1 1 calc R U . . .
H2S2 H -0.023123 0.183067 1.034540 0.063 Uiso 1 1 calc R U . . .
C3S C 0.1460(5) 0.1733(5) 0.9565(4) 0.0488(14) Uani 1 1 d . . . . .
H3S1 H 0.105198 0.096622 0.946297 0.059 Uiso 1 1 calc R U . . .
H3S2 H 0.201810 0.204391 1.024916 0.059 Uiso 1 1 calc R U . . .
C4S C 0.2016(5) 0.1692(5) 0.8650(4) 0.0487(14) Uani 1 1 d . . . . .
H4S1 H 0.146009 0.135659 0.797524 0.073 Uiso 1 1 calc R U . . .
H4S2 H 0.254084 0.123612 0.864637 0.073 Uiso 1 1 calc R U . . .
H4S3 H 0.239985 0.245647 0.874809 0.073 Uiso 1 1 calc R U . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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
Au1 P1 2.2550(10) . ?
Au1 S2 2.3445(10) . ?
Au1 S1 2.6694(9) . ?
Au1 Au2 3.0713(2) 2_676 ?
Au2 P2 2.2637(9) . ?
Au2 S1 2.3458(9) 2_676 ?
P1 C7 1.830(4) . ?
P1 C1Z 1.833(4) . ?
P1 C1Y 1.836(4) . ?
P2 C1W 1.827(4) . ?
P2 C1X 1.831(4) . ?
P2 C14 1.834(4) . ?
S1 C1 1.777(4) . ?
S2 C6 1.761(4) . ?
C1 C2 1.396(5) . ?
C1 C6 1.412(5) . ?
C2 C3 1.380(6) . ?
C2 H2 0.9500 . ?
C3 C4 1.384(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.382(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.409(5) . ?
C5 H5 0.9500 . ?
C7 C8 1.414(5) . ?
C7 C20 1.414(5) . ?
C8 C9 1.430(5) . ?
C8 C13 1.450(5) . ?
C9 C10 1.360(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.407(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.370(5) . ?
C11 H11 0.9500 . ?
C12 C13 1.419(5) . ?
C12 H12 0.9500 . ?
C13 C14 1.421(5) . ?
C14 C15 1.407(5) . ?
C15 C16 1.431(5) . ?
C15 C20 1.448(5) . ?
C16 C17 1.360(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.414(6) . ?
C17 H17 0.9500 . ?
C18 C19 1.372(5) . ?
C18 H18 0.9500 . ?
C19 C20 1.425(5) . ?
C19 H19 0.9500 . ?
C1W C6W 1.390(5) . ?
C1W C2W 1.401(5) . ?
C2W C3W 1.401(5) . ?
C2W H2W 0.9500 . ?
C3W C4W 1.374(6) . ?
C3W H3W 0.9500 . ?
C4W C5W 1.391(6) . ?
C4W H4W 0.9500 . ?
C5W C6W 1.391(6) . ?
C5W H5W 0.9500 . ?
C6W H6W 0.9500 . ?
C1X C2X 1.387(5) . ?
C1X C6X 1.399(5) . ?
C2X C3X 1.392(6) . ?
C2X H2X 0.9500 . ?
C3X C4X 1.386(6) . ?
C3X H3X 0.9500 . ?
C4X C5X 1.392(6) . ?
C4X H4X 0.9500 . ?
C5X C6X 1.395(6) . ?
C5X H5X 0.9500 . ?
C6X H6X 0.9500 . ?
C1Y C6Y 1.391(5) . ?
C1Y C2Y 1.395(5) . ?
C2Y C3Y 1.384(6) . ?
C2Y H2Y 0.9500 . ?
C3Y C4Y 1.387(6) . ?
C3Y H3Y 0.9500 . ?
C4Y C5Y 1.378(6) . ?
C4Y H4Y 0.9500 . ?
C5Y C6Y 1.387(5) . ?
C5Y H5Y 0.9500 . ?
C6Y H6Y 0.9500 . ?
C1Z C6Z 1.392(5) . ?
C1Z C2Z 1.393(5) . ?
C2Z C3Z 1.391(6) . ?
C2Z H2Z 0.9500 . ?
C3Z C4Z 1.380(6) . ?
C3Z H3Z 0.9500 . ?
C4Z C5Z 1.379(6) . ?
C4Z H4Z 0.9500 . ?
C5Z C6Z 1.382(6) . ?
C5Z H5Z 0.9500 . ?
C6Z H6Z 0.9500 . ?
O1S C2S 1.405(6) . ?
O1S C3S 1.421(6) . ?
C1S C2S 1.552(9) . ?
C1S H1S1 0.9800 . ?
C1S H1S2 0.9800 . ?
C1S H1S3 0.9800 . ?
C2S H2S1 0.9900 . ?
C2S H2S2 0.9900 . ?
C3S C4S 1.543(8) . ?
C3S H3S1 0.9900 . ?
C3S H3S2 0.9900 . ?
C4S H4S1 0.9800 . ?
C4S H4S2 0.9800 . ?
C4S H4S3 0.9800 . ?

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
P1 Au1 S2 152.68(3) . . ?
P1 Au1 S1 121.43(3) . . ?
S2 Au1 S1 85.26(3) . . ?
P1 Au1 Au2 114.33(2) . 2_676 ?
S2 Au1 Au2 87.32(2) . 2_676 ?
S1 Au1 Au2 47.604(19) . 2_676 ?
P2 Au2 S1 167.48(3) . 2_676 ?
P2 Au2 Au1 119.70(2) . 2_676 ?
S1 Au2 Au1 57.18(2) 2_676 2_676 ?
C7 P1 C1Z 105.59(16) . . ?
C7 P1 C1Y 104.84(16) . . ?
C1Z P1 C1Y 98.13(17) . . ?
C7 P1 Au1 116.74(12) . . ?
C1Z P1 Au1 117.37(12) . . ?
C1Y P1 Au1 111.93(12) . . ?
C1W P2 C1X 104.04(17) . . ?
C1W P2 C14 107.76(16) . . ?
C1X P2 C14 104.59(17) . . ?
C1W P2 Au2 114.89(13) . . ?
C1X P2 Au2 109.35(13) . . ?
C14 P2 Au2 115.15(12) . . ?
C1 S1 Au2 98.06(12) . 2_676 ?
C1 S1 Au1 99.12(12) . . ?
Au2 S1 Au1 75.22(3) 2_676 . ?
C6 S2 Au1 106.72(13) . . ?
C2 C1 C6 120.0(3) . . ?
C2 C1 S1 117.0(3) . . ?
C6 C1 S1 123.0(3) . . ?
C3 C2 C1 121.3(4) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C2 C3 C4 119.4(4) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 120.1(4) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 121.9(4) . . ?
C4 C5 H5 119.1 . . ?
C6 C5 H5 119.1 . . ?
C5 C6 C1 117.2(3) . . ?
C5 C6 S2 117.4(3) . . ?
C1 C6 S2 125.4(3) . . ?
C8 C7 C20 119.2(3) . . ?
C8 C7 P1 121.3(3) . . ?
C20 C7 P1 119.4(3) . . ?
C7 C8 C9 122.9(3) . . ?
C7 C8 C13 119.3(3) . . ?
C9 C8 C13 117.8(3) . . ?
C10 C9 C8 121.5(3) . . ?
C10 C9 H9 119.2 . . ?
C8 C9 H9 119.2 . . ?
C9 C10 C11 120.6(3) . . ?
C9 C10 H10 119.7 . . ?
C11 C10 H10 119.7 . . ?
C12 C11 C10 120.2(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C13 121.6(3) . . ?
C11 C12 H12 119.2 . . ?
C13 C12 H12 119.2 . . ?
C12 C13 C14 123.3(3) . . ?
C12 C13 C8 118.2(3) . . ?
C14 C13 C8 118.5(3) . . ?
C15 C14 C13 120.0(3) . . ?
C15 C14 P2 122.2(3) . . ?
C13 C14 P2 117.8(3) . . ?
C14 C15 C16 123.1(3) . . ?
C14 C15 C20 118.8(3) . . ?
C16 C15 C20 118.0(3) . . ?
C17 C16 C15 121.6(4) . . ?
C17 C16 H16 119.2 . . ?
C15 C16 H16 119.2 . . ?
C16 C17 C18 120.6(3) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C19 C18 C17 120.0(4) . . ?
C19 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C19 C20 121.6(4) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C7 C20 C19 122.4(3) . . ?
C7 C20 C15 119.4(3) . . ?
C19 C20 C15 118.1(3) . . ?
C6W C1W C2W 119.4(3) . . ?
C6W C1W P2 123.4(3) . . ?
C2W C1W P2 117.2(3) . . ?
C3W C2W C1W 119.6(4) . . ?
C3W C2W H2W 120.2 . . ?
C1W C2W H2W 120.2 . . ?
C4W C3W C2W 120.9(4) . . ?
C4W C3W H3W 119.5 . . ?
C2W C3W H3W 119.5 . . ?
C3W C4W C5W 119.2(4) . . ?
C3W C4W H4W 120.4 . . ?
C5W C4W H4W 120.4 . . ?
C4W C5W C6W 120.9(4) . . ?
C4W C5W H5W 119.5 . . ?
C6W C5W H5W 119.5 . . ?
C1W C6W C5W 120.0(4) . . ?
C1W C6W H6W 120.0 . . ?
C5W C6W H6W 120.0 . . ?
C2X C1X C6X 119.4(4) . . ?
C2X C1X P2 118.7(3) . . ?
C6X C1X P2 121.9(3) . . ?
C1X C2X C3X 120.8(4) . . ?
C1X C2X H2X 119.6 . . ?
C3X C2X H2X 119.6 . . ?
C4X C3X C2X 119.8(4) . . ?
C4X C3X H3X 120.1 . . ?
C2X C3X H3X 120.1 . . ?
C3X C4X C5X 120.0(4) . . ?
C3X C4X H4X 120.0 . . ?
C5X C4X H4X 120.0 . . ?
C4X C5X C6X 120.1(4) . . ?
C4X C5X H5X 119.9 . . ?
C6X C5X H5X 119.9 . . ?
C5X C6X C1X 119.9(4) . . ?
C5X C6X H6X 120.1 . . ?
C1X C6X H6X 120.1 . . ?
C6Y C1Y C2Y 119.1(3) . . ?
C6Y C1Y P1 119.4(3) . . ?
C2Y C1Y P1 121.1(3) . . ?
C3Y C2Y C1Y 120.3(4) . . ?
C3Y C2Y H2Y 119.8 . . ?
C1Y C2Y H2Y 119.8 . . ?
C2Y C3Y C4Y 120.0(4) . . ?
C2Y C3Y H3Y 120.0 . . ?
C4Y C3Y H3Y 120.0 . . ?
C5Y C4Y C3Y 120.1(4) . . ?
C5Y C4Y H4Y 120.0 . . ?
C3Y C4Y H4Y 120.0 . . ?
C4Y C5Y C6Y 120.3(4) . . ?
C4Y C5Y H5Y 119.9 . . ?
C6Y C5Y H5Y 119.9 . . ?
C5Y C6Y C1Y 120.2(4) . . ?
C5Y C6Y H6Y 119.9 . . ?
C1Y C6Y H6Y 119.9 . . ?
C6Z C1Z C2Z 118.6(4) . . ?
C6Z C1Z P1 117.8(3) . . ?
C2Z C1Z P1 123.1(3) . . ?
C3Z C2Z C1Z 120.2(4) . . ?
C3Z C2Z H2Z 119.9 . . ?
C1Z C2Z H2Z 119.9 . . ?
C4Z C3Z C2Z 120.4(4) . . ?
C4Z C3Z H3Z 119.8 . . ?
C2Z C3Z H3Z 119.8 . . ?
C5Z C4Z C3Z 119.7(4) . . ?
C5Z C4Z H4Z 120.1 . . ?
C3Z C4Z H4Z 120.1 . . ?
C4Z C5Z C6Z 120.3(4) . . ?
C4Z C5Z H5Z 119.9 . . ?
C6Z C5Z H5Z 119.9 . . ?
C5Z C6Z C1Z 120.8(4) . . ?
C5Z C6Z H6Z 119.6 . . ?
C1Z C6Z H6Z 119.6 . . ?
C2S O1S C3S 110.1(4) . . ?
C2S C1S H1S1 109.5 . . ?
C2S C1S H1S2 109.5 . . ?
H1S1 C1S H1S2 109.5 . . ?
C2S C1S H1S3 109.5 . . ?
H1S1 C1S H1S3 109.5 . . ?
H1S2 C1S H1S3 109.5 . . ?
O1S C2S C1S 106.8(5) . . ?
O1S C2S H2S1 110.4 . . ?
C1S C2S H2S1 110.4 . . ?
O1S C2S H2S2 110.4 . . ?
C1S C2S H2S2 110.4 . . ?
H2S1 C2S H2S2 108.6 . . ?
O1S C3S C4S 108.0(4) . . ?
O1S C3S H3S1 110.1 . . ?
C4S C3S H3S1 110.1 . . ?
O1S C3S H3S2 110.1 . . ?
C4S C3S H3S2 110.1 . . ?
H3S1 C3S H3S2 108.4 . . ?
C3S C4S H4S1 109.5 . . ?
C3S C4S H4S2 109.5 . . ?
H4S1 C4S H4S2 109.5 . . ?
C3S C4S H4S3 109.5 . . ?
H4S1 C4S H4S3 109.5 . . ?
H4S2 C4S H4S3 109.5 . . ?

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
Au2 S1 C1 C2 -111.3(3) 2_676 . . . ?
Au1 S1 C1 C2 172.4(3) . . . . ?
Au2 S1 C1 C6 69.0(3) 2_676 . . . ?
Au1 S1 C1 C6 -7.2(3) . . . . ?
C6 C1 C2 C3 -2.9(5) . . . . ?
S1 C1 C2 C3 177.4(3) . . . . ?
C1 C2 C3 C4 -0.9(6) . . . . ?
C2 C3 C4 C5 2.4(6) . . . . ?
C3 C4 C5 C6 -0.1(6) . . . . ?
C4 C5 C6 C1 -3.6(6) . . . . ?
C4 C5 C6 S2 175.6(3) . . . . ?
C2 C1 C6 C5 5.0(5) . . . . ?
S1 C1 C6 C5 -175.4(3) . . . . ?
C2 C1 C6 S2 -174.1(3) . . . . ?
S1 C1 C6 S2 5.6(5) . . . . ?
Au1 S2 C6 C5 -178.8(3) . . . . ?
Au1 S2 C6 C1 0.3(3) . . . . ?
C1Z P1 C7 C8 -35.0(3) . . . . ?
C1Y P1 C7 C8 -138.0(3) . . . . ?
Au1 P1 C7 C8 97.5(3) . . . . ?
C1Z P1 C7 C20 146.2(3) . . . . ?
C1Y P1 C7 C20 43.1(3) . . . . ?
Au1 P1 C7 C20 -81.4(3) . . . . ?
C20 C7 C8 C9 159.6(4) . . . . ?
P1 C7 C8 C9 -19.2(5) . . . . ?
C20 C7 C8 C13 -19.2(5) . . . . ?
P1 C7 C8 C13 162.0(3) . . . . ?
C7 C8 C9 C10 178.7(4) . . . . ?
C13 C8 C9 C10 -2.4(5) . . . . ?
C8 C9 C10 C11 0.5(6) . . . . ?
C9 C10 C11 C12 1.1(6) . . . . ?
C10 C11 C12 C13 -0.7(6) . . . . ?
C11 C12 C13 C14 177.0(4) . . . . ?
C11 C12 C13 C8 -1.3(5) . . . . ?
C7 C8 C13 C12 -178.4(3) . . . . ?
C9 C8 C13 C12 2.8(5) . . . . ?
C7 C8 C13 C14 3.3(5) . . . . ?
C9 C8 C13 C14 -175.6(3) . . . . ?
C12 C13 C14 C15 -162.5(4) . . . . ?
C8 C13 C14 C15 15.8(5) . . . . ?
C12 C13 C14 P2 17.1(5) . . . . ?
C8 C13 C14 P2 -164.6(3) . . . . ?
C1W P2 C14 C15 -26.3(4) . . . . ?
C1X P2 C14 C15 -136.6(3) . . . . ?
Au2 P2 C14 C15 103.4(3) . . . . ?
C1W P2 C14 C13 154.1(3) . . . . ?
C1X P2 C14 C13 43.9(3) . . . . ?
Au2 P2 C14 C13 -76.2(3) . . . . ?
C13 C14 C15 C16 157.6(3) . . . . ?
P2 C14 C15 C16 -22.0(5) . . . . ?
C13 C14 C15 C20 -18.8(5) . . . . ?
P2 C14 C15 C20 161.6(3) . . . . ?
C14 C15 C16 C17 -178.3(4) . . . . ?
C20 C15 C16 C17 -1.9(5) . . . . ?
C15 C16 C17 C18 -0.5(6) . . . . ?
C16 C17 C18 C19 1.1(6) . . . . ?
C17 C18 C19 C20 0.9(6) . . . . ?
C8 C7 C20 C19 -161.3(3) . . . . ?
P1 C7 C20 C19 17.6(5) . . . . ?
C8 C7 C20 C15 16.2(5) . . . . ?
P1 C7 C20 C15 -164.9(3) . . . . ?
C18 C19 C20 C7 174.2(4) . . . . ?
C18 C19 C20 C15 -3.3(5) . . . . ?
C14 C15 C20 C7 2.7(5) . . . . ?
C16 C15 C20 C7 -173.9(3) . . . . ?
C14 C15 C20 C19 -179.7(3) . . . . ?
C16 C15 C20 C19 3.7(5) . . . . ?
C1X P2 C1W C6W 55.4(4) . . . . ?
C14 P2 C1W C6W -55.2(4) . . . . ?
Au2 P2 C1W C6W 174.9(3) . . . . ?
C1X P2 C1W C2W -123.9(3) . . . . ?
C14 P2 C1W C2W 125.4(3) . . . . ?
Au2 P2 C1W C2W -4.4(3) . . . . ?
C6W C1W C2W C3W 1.3(6) . . . . ?
P2 C1W C2W C3W -179.4(3) . . . . ?
C1W C2W C3W C4W -1.1(6) . . . . ?
C2W C3W C4W C5W 0.3(7) . . . . ?
C3W C4W C5W C6W 0.3(7) . . . . ?
C2W C1W C6W C5W -0.7(6) . . . . ?
P2 C1W C6W C5W 180.0(3) . . . . ?
C4W C5W C6W C1W 0.0(7) . . . . ?
C1W P2 C1X C2X 108.1(3) . . . . ?
C14 P2 C1X C2X -138.9(3) . . . . ?
Au2 P2 C1X C2X -15.1(3) . . . . ?
C1W P2 C1X C6X -73.1(3) . . . . ?
C14 P2 C1X C6X 39.9(3) . . . . ?
Au2 P2 C1X C6X 163.7(3) . . . . ?
C6X C1X C2X C3X -0.4(6) . . . . ?
P2 C1X C2X C3X 178.4(3) . . . . ?
C1X C2X C3X C4X 0.3(6) . . . . ?
C2X C3X C4X C5X 0.1(7) . . . . ?
C3X C4X C5X C6X -0.4(7) . . . . ?
C4X C5X C6X C1X 0.3(6) . . . . ?
C2X C1X C6X C5X 0.1(6) . . . . ?
P2 C1X C6X C5X -178.7(3) . . . . ?
C7 P1 C1Y C6Y -139.6(3) . . . . ?
C1Z P1 C1Y C6Y 111.8(3) . . . . ?
Au1 P1 C1Y C6Y -12.1(3) . . . . ?
C7 P1 C1Y C2Y 47.9(4) . . . . ?
C1Z P1 C1Y C2Y -60.7(3) . . . . ?
Au1 P1 C1Y C2Y 175.4(3) . . . . ?
C6Y C1Y C2Y C3Y -2.3(6) . . . . ?
P1 C1Y C2Y C3Y 170.2(3) . . . . ?
C1Y C2Y C3Y C4Y 1.8(6) . . . . ?
C2Y C3Y C4Y C5Y 0.2(6) . . . . ?
C3Y C4Y C5Y C6Y -1.8(6) . . . . ?
C4Y C5Y C6Y C1Y 1.3(6) . . . . ?
C2Y C1Y C6Y C5Y 0.8(6) . . . . ?
P1 C1Y C6Y C5Y -171.9(3) . . . . ?
C7 P1 C1Z C6Z 148.8(3) . . . . ?
C1Y P1 C1Z C6Z -103.2(3) . . . . ?
Au1 P1 C1Z C6Z 16.7(3) . . . . ?
C7 P1 C1Z C2Z -38.9(4) . . . . ?
C1Y P1 C1Z C2Z 69.0(3) . . . . ?
Au1 P1 C1Z C2Z -171.0(3) . . . . ?
C6Z C1Z C2Z C3Z 2.4(6) . . . . ?
P1 C1Z C2Z C3Z -169.8(3) . . . . ?
C1Z C2Z C3Z C4Z -0.8(6) . . . . ?
C2Z C3Z C4Z C5Z -1.1(6) . . . . ?
C3Z C4Z C5Z C6Z 1.4(6) . . . . ?
C4Z C5Z C6Z C1Z 0.2(6) . . . . ?
C2Z C1Z C6Z C5Z -2.1(6) . . . . ?
P1 C1Z C6Z C5Z 170.5(3) . . . . ?
C3S O1S C2S C1S 172.5(5) . . . . ?
C2S O1S C3S C4S -176.0(4) . . . . ?

_refine_diff_density_max         2.362
_refine_diff_density_min         -1.363
_refine_diff_density_rms         0.151



