# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_shelx
_database_code_depnum_ccdc_archive 'CCDC 1857516'
_audit_update_record             
;
2018-07-23 deposited with the CCDC.
2018-11-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2016/6
_shelx_SHELXL_version_number     2016/6
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H28 Au O4 S4, C24 H20 P'
_chemical_formula_sum            'C56 H48 Au O4 P S4'
_chemical_formula_weight         1141.12

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'
O O 0.0106 0.0060 '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'

_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                   11.913(5)
_cell_length_b                   13.949(5)
_cell_length_c                   15.859(6)
_cell_angle_alpha                81.424(4)
_cell_angle_beta                 72.882(4)
_cell_angle_gamma                79.945(4)
_cell_volume                     2466.5(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9820
_cell_measurement_theta_min      2.177
_cell_measurement_theta_max      26.141

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    none
_exptl_crystal_density_diffrn    1.536
_exptl_crystal_F_000             1148
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    3.231
_shelx_estimated_absorpt_T_min   0.679
_shelx_estimated_absorpt_T_max   0.782
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.5504
_exptl_absorpt_correction_T_max  0.7453
_exptl_absorpt_process_details   SADABS
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker Apex II Quazar CCD'
_diffrn_measurement_method       'ω & φ scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            27552
_diffrn_reflns_av_unetI/netI     0.0196
_diffrn_reflns_av_R_equivalents  0.0203
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.351
_diffrn_reflns_theta_max         26.141
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measured_fraction_theta_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.959
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.959
_diffrn_reflns_point_group_measured_fraction_full 0.993
_reflns_number_total             9442
_reflns_number_gt                9156
_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_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    Diamond3
_computing_publication_material  WinGX
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0273P)²+0.9515P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9442
_refine_ls_number_parameters     595
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0163
_refine_ls_R_factor_gt           0.0151
_refine_ls_wR_factor_ref         0.0495
_refine_ls_wR_factor_gt          0.0427
_refine_ls_goodness_of_fit_ref   1.169
_refine_ls_restrained_S_all      1.169
_refine_ls_shift/su_max          0.003
_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
C56 C 0.2687(2) 0.93337(17) -0.03812(14) 0.0252(5) Uani 1 1 d . . . . .
C1 C 0.5292(2) 0.40559(16) 0.91088(14) 0.0234(5) Uani 1 1 d . . . . .
H1A H 0.535167 0.384122 0.971313 0.035 Uiso 1 1 calc R U . . .
H1B H 0.451442 0.396102 0.906801 0.035 Uiso 1 1 calc R U . . .
H1C H 0.591673 0.367078 0.868948 0.035 Uiso 1 1 calc R U . . .
C2 C 0.53640(19) 0.54763(16) 0.80661(13) 0.0189(4) Uani 1 1 d . . . . .
C3 C 0.54293(19) 0.49405(15) 0.73776(13) 0.0187(4) Uani 1 1 d . . . . .
H3 H 0.554787 0.424534 0.745952 0.022 Uiso 1 1 calc R U . . .
C4 C 0.5220(2) 0.64976(16) 0.79316(14) 0.0253(5) Uani 1 1 d . . . . .
H4 H 0.519828 0.686567 0.839557 0.030 Uiso 1 1 calc R U . . .
C5 C 0.5110(2) 0.69743(15) 0.71247(13) 0.0234(5) Uani 1 1 d . . . . .
H5 H 0.500590 0.766946 0.704242 0.028 Uiso 1 1 calc R U . . .
C6 C 0.53201(19) 0.54277(15) 0.65663(13) 0.0189(4) Uani 1 1 d . . . . .
H6 H 0.536292 0.505706 0.609885 0.023 Uiso 1 1 calc R U . . .
C7 C 0.51491(18) 0.64491(15) 0.64248(13) 0.0168(4) Uani 1 1 d . . . . .
C8 C 0.49938(18) 0.69554(15) 0.55637(13) 0.0157(4) Uani 1 1 d . . . . .
C9 C 0.55718(18) 0.77002(14) 0.51020(13) 0.0155(4) Uani 1 1 d . . . . .
C10 C 0.64847(18) 0.81025(15) 0.53652(12) 0.0154(4) Uani 1 1 d . . . . .
C11 C 0.76229(19) 0.75827(15) 0.52962(13) 0.0192(4) Uani 1 1 d . . . . .
H11 H 0.780727 0.694825 0.509987 0.023 Uiso 1 1 calc R U . . .
C12 C 0.62378(19) 0.90270(15) 0.56742(13) 0.0187(4) Uani 1 1 d . . . . .
H12 H 0.547367 0.939276 0.572501 0.022 Uiso 1 1 calc R U . . .
C13 C 0.8480(2) 0.79745(16) 0.55076(14) 0.0218(4) Uani 1 1 d . . . . .
H13 H 0.924681 0.761218 0.544989 0.026 Uiso 1 1 calc R U . . .
C14 C 0.7087(2) 0.94247(15) 0.59094(13) 0.0197(4) Uani 1 1 d . . . . .
H14 H 0.689201 1.004338 0.613699 0.024 Uiso 1 1 calc R U . . .
C15 C 0.82206(19) 0.89090(16) 0.58084(13) 0.0192(4) Uani 1 1 d . . . . .
C16 C 0.8983(2) 1.02609(18) 0.61074(18) 0.0333(6) Uani 1 1 d . . . . .
H16A H 0.968388 1.040841 0.623963 0.050 Uiso 1 1 calc R U . . .
H16B H 0.888669 1.065205 0.555969 0.050 Uiso 1 1 calc R U . . .
H16C H 0.827808 1.041975 0.659772 0.050 Uiso 1 1 calc R U . . .
C17 C -0.3004(2) 0.6547(2) 0.2468(2) 0.0450(7) Uani 1 1 d . . . . .
H17A H -0.354940 0.634087 0.219472 0.067 Uiso 1 1 calc R U . . .
H17B H -0.300985 0.613608 0.302727 0.067 Uiso 1 1 calc R U . . .
H17C H -0.325745 0.723259 0.258587 0.067 Uiso 1 1 calc R U . . .
C18 C -0.09534(19) 0.67011(15) 0.21571(14) 0.0186(4) Uani 1 1 d . . . . .
C19 C -0.11296(19) 0.71785(15) 0.29123(14) 0.0198(4) Uani 1 1 d . . . . .
H19 H -0.190840 0.734994 0.327897 0.024 Uiso 1 1 calc R U . . .
C20 C 0.01977(19) 0.64551(15) 0.16282(14) 0.0208(4) Uani 1 1 d . . . . .
H20 H 0.032296 0.613370 0.111391 0.025 Uiso 1 1 calc R U . . .
C21 C 0.11549(19) 0.66752(15) 0.18468(13) 0.0194(4) Uani 1 1 d . . . . .
H21 H 0.193354 0.649130 0.148538 0.023 Uiso 1 1 calc R U . . .
C22 C -0.01535(18) 0.73994(15) 0.31206(13) 0.0175(4) Uani 1 1 d . . . . .
H22 H -0.027759 0.771810 0.363625 0.021 Uiso 1 1 calc R U . . .
C23 C 0.10019(18) 0.71661(14) 0.25934(13) 0.0155(4) Uani 1 1 d . . . . .
C24 C 0.20352(18) 0.74409(14) 0.28010(13) 0.0157(4) Uani 1 1 d . . . . .
C25 C 0.28046(18) 0.80070(15) 0.22310(13) 0.0157(4) Uani 1 1 d . . . . .
C26 C 0.27340(19) 0.84443(14) 0.13295(13) 0.0162(4) Uani 1 1 d . . . . .
C27 C 0.16707(19) 0.89161(16) 0.11562(14) 0.0207(4) Uani 1 1 d . . . . .
H27 H 0.095497 0.893618 0.162324 0.025 Uiso 1 1 calc R U . . .
C28 C 0.37557(19) 0.84187(15) 0.06192(14) 0.0196(4) Uani 1 1 d . . . . .
H28 H 0.448457 0.809622 0.071693 0.024 Uiso 1 1 calc R U . . .
C29 C 0.3744(2) 0.88517(16) -0.02328(14) 0.0232(5) Uani 1 1 d . . . . .
H29 H 0.445354 0.881608 -0.070570 0.028 Uiso 1 1 calc R U . . .
C30 C 0.1647(2) 0.93518(17) 0.03182(15) 0.0269(5) Uani 1 1 d . . . . .
H30 H 0.091700 0.966634 0.021664 0.032 Uiso 1 1 calc R U . . .
C31 C 0.3669(3) 0.9903(3) -0.18701(18) 0.0519(9) Uani 1 1 d . . . . .
H31A H 0.348710 1.025859 -0.240595 0.078 Uiso 1 1 calc R U . . .
H31B H 0.417102 1.026128 -0.167612 0.078 Uiso 1 1 calc R U . . .
H31C H 0.408812 0.924886 -0.199930 0.078 Uiso 1 1 calc R U . . .
C32 C 0.11804(18) 0.66645(15) -0.13748(13) 0.0178(4) Uani 1 1 d . . . . .
C33 C 0.1207(2) 0.56552(16) -0.11684(15) 0.0242(5) Uani 1 1 d . . . . .
H33 H 0.076978 0.531054 -0.140645 0.029 Uiso 1 1 calc R U . . .
C34 C 0.1875(2) 0.51548(16) -0.06134(15) 0.0269(5) Uani 1 1 d . . . . .
H34 H 0.189932 0.446620 -0.047626 0.032 Uiso 1 1 calc R U . . .
C35 C 0.2506(2) 0.56558(16) -0.02594(14) 0.0229(4) Uani 1 1 d . . . . .
H35 H 0.295481 0.531183 0.012487 0.028 Uiso 1 1 calc R U . . .
C36 C 0.2483(2) 0.66595(17) -0.04656(15) 0.0253(5) Uani 1 1 d . . . . .
H36 H 0.291683 0.700135 -0.022225 0.030 Uiso 1 1 calc R U . . .
C37 C 0.1827(2) 0.71674(16) -0.10262(14) 0.0230(4) Uani 1 1 d . . . . .
H37 H 0.181944 0.785388 -0.117161 0.028 Uiso 1 1 calc R U . . .
C38 C 0.09714(18) 0.83511(15) -0.26818(13) 0.0179(4) Uani 1 1 d . . . . .
C39 C 0.07614(19) 0.92272(15) -0.22921(14) 0.0205(4) Uani 1 1 d . . . . .
H39 H 0.021210 0.928760 -0.172438 0.025 Uiso 1 1 calc R U . . .
C40 C 0.1356(2) 1.00055(16) -0.27358(15) 0.0235(5) Uani 1 1 d . . . . .
H40 H 0.120737 1.060124 -0.247410 0.028 Uiso 1 1 calc R U . . .
C41 C 0.2168(2) 0.99157(16) -0.35625(15) 0.0247(5) Uani 1 1 d . . . . .
H41 H 0.257680 1.044844 -0.386550 0.030 Uiso 1 1 calc R U . . .
C42 C 0.2380(2) 0.90448(17) -0.39444(15) 0.0282(5) Uani 1 1 d . . . . .
H42 H 0.294127 0.898398 -0.450743 0.034 Uiso 1 1 calc R U . . .
C43 C 0.1785(2) 0.82634(16) -0.35146(14) 0.0250(5) Uani 1 1 d . . . . .
H43 H 0.192786 0.767313 -0.378397 0.030 Uiso 1 1 calc R U . . .
C44 C 0.0008(2) 0.65010(15) -0.27223(14) 0.0209(4) Uani 1 1 d . . . . .
C45 C 0.0976(2) 0.59968(17) -0.33014(15) 0.0278(5) Uani 1 1 d . . . . .
H45 H 0.176147 0.609038 -0.333975 0.033 Uiso 1 1 calc R U . . .
C46 C 0.0780(3) 0.53554(18) -0.38224(16) 0.0345(6) Uani 1 1 d . . . . .
H46 H 0.143249 0.502420 -0.422953 0.041 Uiso 1 1 calc R U . . .
C47 C -0.0366(3) 0.52002(18) -0.37470(16) 0.0353(6) Uani 1 1 d . . . . .
H47 H -0.049190 0.475567 -0.409833 0.042 Uiso 1 1 calc R U . . .
C48 C -0.1319(3) 0.56822(18) -0.31702(17) 0.0342(6) Uani 1 1 d . . . . .
H48 H -0.209941 0.556737 -0.312233 0.041 Uiso 1 1 calc R U . . .
C49 C -0.1145(2) 0.63405(17) -0.26538(16) 0.0268(5) Uani 1 1 d . . . . .
H49 H -0.180505 0.667791 -0.225797 0.032 Uiso 1 1 calc R U . . .
C50 C -0.11303(19) 0.78365(15) -0.13442(14) 0.0191(4) Uani 1 1 d . . . . .
C51 C -0.1900(2) 0.85024(17) -0.17355(15) 0.0257(5) Uani 1 1 d . . . . .
H51 H -0.170380 0.864835 -0.236185 0.031 Uiso 1 1 calc R U . . .
C52 C -0.2949(2) 0.89486(17) -0.12078(18) 0.0305(5) Uani 1 1 d . . . . .
H52 H -0.347184 0.940609 -0.146978 0.037 Uiso 1 1 calc R U . . .
C53 C -0.3233(2) 0.87230(18) -0.02914(17) 0.0314(5) Uani 1 1 d . . . . .
H53 H -0.395189 0.902923 0.007086 0.038 Uiso 1 1 calc R U . . .
C54 C -0.2480(2) 0.80596(19) 0.00965(16) 0.0334(6) Uani 1 1 d . . . . .
H54 H -0.268968 0.790582 0.072224 0.040 Uiso 1 1 calc R U . . .
C55 C -0.1415(2) 0.76140(17) -0.04248(15) 0.0262(5) Uani 1 1 d . . . . .
H55 H -0.088971 0.716500 -0.015821 0.031 Uiso 1 1 calc R U . . .
Au1 Au 0.38680(2) 0.75119(2) 0.39153(2) 0.01495(3) Uani 1 1 d . . . . .
O1 O 0.54277(15) 0.50691(11) 0.88985(10) 0.0254(3) Uani 1 1 d . . . . .
O2 O 0.91278(14) 0.92380(12) 0.59975(11) 0.0270(3) Uani 1 1 d . . . . .
O3 O -0.18362(14) 0.64457(12) 0.18826(11) 0.0272(4) Uani 1 1 d . . . . .
O4 O 0.25817(17) 0.98154(15) -0.11770(11) 0.0396(5) Uani 1 1 d . . . . .
P1 P 0.02633(5) 0.73299(4) -0.20505(3) 0.01657(11) Uani 1 1 d . . . . .
S1 S 0.39508(5) 0.64910(4) 0.51910(3) 0.01772(10) Uani 1 1 d . . . . .
S2 S 0.53221(5) 0.83071(4) 0.41004(3) 0.01729(10) Uani 1 1 d . . . . .
S3 S 0.40265(5) 0.83160(4) 0.25079(3) 0.01930(11) Uani 1 1 d . . . . .
S4 S 0.21727(5) 0.69461(4) 0.38627(3) 0.01866(10) Uani 1 1 d . . . . .


_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
C56 O4 1.368(3) . ?
C56 C29 1.387(3) . ?
C56 C30 1.399(3) . ?
C1 O1 1.429(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 O1 1.375(2) . ?
C2 C3 1.389(3) . ?
C2 C4 1.396(3) . ?
C3 C6 1.393(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(3) . ?
C4 H4 0.9500 . ?
C5 C7 1.404(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.397(3) . ?
C6 H6 0.9500 . ?
C7 C8 1.488(3) . ?
C8 C9 1.348(3) . ?
C8 S1 1.772(2) . ?
C9 C10 1.491(3) . ?
C9 S2 1.766(2) . ?
C10 C12 1.400(3) . ?
C10 C11 1.403(3) . ?
C11 C13 1.380(3) . ?
C11 H11 0.9500 . ?
C12 C14 1.397(3) . ?
C12 H12 0.9500 . ?
C13 C15 1.407(3) . ?
C13 H13 0.9500 . ?
C14 C15 1.391(3) . ?
C14 H14 0.9500 . ?
C15 O2 1.369(3) . ?
C16 O2 1.438(3) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 O3 1.424(3) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 O3 1.367(3) . ?
C18 C20 1.395(3) . ?
C18 C19 1.401(3) . ?
C19 C22 1.392(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.379(3) . ?
C20 H20 0.9500 . ?
C21 C23 1.406(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.395(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.487(3) . ?
C24 C25 1.354(3) . ?
C24 S4 1.765(2) . ?
C25 C26 1.489(3) . ?
C25 S3 1.775(2) . ?
C26 C28 1.393(3) . ?
C26 C27 1.405(3) . ?
C27 C30 1.383(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.398(3) . ?
C28 H28 0.9500 . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 O4 1.442(3) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 C33 1.394(3) . ?
C32 C37 1.395(3) . ?
C32 P1 1.801(2) . ?
C33 C34 1.389(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.384(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.387(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.389(3) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C43 1.397(3) . ?
C38 C39 1.402(3) . ?
C38 P1 1.800(2) . ?
C39 C40 1.386(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.390(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.389(3) . ?
C41 H41 0.9500 . ?
C42 C43 1.386(3) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
C44 C45 1.398(3) . ?
C44 C49 1.400(3) . ?
C44 P1 1.801(2) . ?
C45 C46 1.394(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.387(4) . ?
C46 H46 0.9500 . ?
C47 C48 1.373(4) . ?
C47 H47 0.9500 . ?
C48 C49 1.396(3) . ?
C48 H48 0.9500 . ?
C49 H49 0.9500 . ?
C50 C55 1.396(3) . ?
C50 C51 1.398(3) . ?
C50 P1 1.801(2) . ?
C51 C52 1.385(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.392(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.380(4) . ?
C53 H53 0.9500 . ?
C54 C55 1.393(3) . ?
C54 H54 0.9500 . ?
C55 H55 0.9500 . ?
Au1 S1 2.3109(8) . ?
Au1 S3 2.3140(9) . ?
Au1 S4 2.3203(9) . ?
Au1 S2 2.3206(8) . ?

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
O4 C56 C29 124.4(2) . . ?
O4 C56 C30 116.3(2) . . ?
C29 C56 C30 119.3(2) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 124.33(19) . . ?
O1 C2 C4 115.96(18) . . ?
C3 C2 C4 119.71(19) . . ?
C2 C3 C6 119.67(19) . . ?
C2 C3 H3 120.2 . . ?
C6 C3 H3 120.2 . . ?
C5 C4 C2 120.16(19) . . ?
C5 C4 H4 119.9 . . ?
C2 C4 H4 119.9 . . ?
C4 C5 C7 121.2(2) . . ?
C4 C5 H5 119.4 . . ?
C7 C5 H5 119.4 . . ?
C3 C6 C7 121.49(18) . . ?
C3 C6 H6 119.3 . . ?
C7 C6 H6 119.3 . . ?
C6 C7 C5 117.78(19) . . ?
C6 C7 C8 120.65(18) . . ?
C5 C7 C8 121.56(18) . . ?
C9 C8 C7 124.37(19) . . ?
C9 C8 S1 122.19(16) . . ?
C7 C8 S1 113.44(15) . . ?
C8 C9 C10 124.74(18) . . ?
C8 C9 S2 122.81(16) . . ?
C10 C9 S2 112.45(14) . . ?
C12 C10 C11 117.71(19) . . ?
C12 C10 C9 120.72(19) . . ?
C11 C10 C9 121.56(18) . . ?
C13 C11 C10 121.34(19) . . ?
C13 C11 H11 119.3 . . ?
C10 C11 H11 119.3 . . ?
C14 C12 C10 121.6(2) . . ?
C14 C12 H12 119.2 . . ?
C10 C12 H12 119.2 . . ?
C11 C13 C15 120.2(2) . . ?
C11 C13 H13 119.9 . . ?
C15 C13 H13 119.9 . . ?
C15 C14 C12 119.56(19) . . ?
C15 C14 H14 120.2 . . ?
C12 C14 H14 120.2 . . ?
O2 C15 C14 124.51(19) . . ?
O2 C15 C13 116.01(19) . . ?
C14 C15 C13 119.47(19) . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O3 C17 H17A 109.5 . . ?
O3 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
O3 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O3 C18 C20 115.67(18) . . ?
O3 C18 C19 124.96(19) . . ?
C20 C18 C19 119.36(19) . . ?
C22 C19 C18 119.42(19) . . ?
C22 C19 H19 120.3 . . ?
C18 C19 H19 120.3 . . ?
C21 C20 C18 120.45(19) . . ?
C21 C20 H20 119.8 . . ?
C18 C20 H20 119.8 . . ?
C20 C21 C23 121.33(19) . . ?
C20 C21 H21 119.3 . . ?
C23 C21 H21 119.3 . . ?
C19 C22 C23 121.86(18) . . ?
C19 C22 H22 119.1 . . ?
C23 C22 H22 119.1 . . ?
C22 C23 C21 117.55(19) . . ?
C22 C23 C24 121.47(18) . . ?
C21 C23 C24 120.97(18) . . ?
C25 C24 C23 123.56(18) . . ?
C25 C24 S4 123.04(16) . . ?
C23 C24 S4 113.40(14) . . ?
C24 C25 C26 125.45(18) . . ?
C24 C25 S3 121.97(16) . . ?
C26 C25 S3 112.58(14) . . ?
C28 C26 C27 117.22(19) . . ?
C28 C26 C25 120.01(19) . . ?
C27 C26 C25 122.75(18) . . ?
C30 C27 C26 121.2(2) . . ?
C30 C27 H27 119.4 . . ?
C26 C27 H27 119.4 . . ?
C26 C28 C29 122.2(2) . . ?
C26 C28 H28 118.9 . . ?
C29 C28 H28 118.9 . . ?
C56 C29 C28 119.4(2) . . ?
C56 C29 H29 120.3 . . ?
C28 C29 H29 120.3 . . ?
C27 C30 C56 120.6(2) . . ?
C27 C30 H30 119.7 . . ?
C56 C30 H30 119.7 . . ?
O4 C31 H31A 109.5 . . ?
O4 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
O4 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C33 C32 C37 119.9(2) . . ?
C33 C32 P1 120.22(16) . . ?
C37 C32 P1 119.80(16) . . ?
C34 C33 C32 119.8(2) . . ?
C34 C33 H33 120.1 . . ?
C32 C33 H33 120.1 . . ?
C35 C34 C33 120.3(2) . . ?
C35 C34 H34 119.9 . . ?
C33 C34 H34 119.9 . . ?
C34 C35 C36 120.0(2) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C37 120.3(2) . . ?
C35 C36 H36 119.8 . . ?
C37 C36 H36 119.8 . . ?
C36 C37 C32 119.7(2) . . ?
C36 C37 H37 120.2 . . ?
C32 C37 H37 120.2 . . ?
C43 C38 C39 119.84(19) . . ?
C43 C38 P1 121.46(16) . . ?
C39 C38 P1 118.52(16) . . ?
C40 C39 C38 119.96(19) . . ?
C40 C39 H39 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C40 C41 120.1(2) . . ?
C39 C40 H40 119.9 . . ?
C41 C40 H40 119.9 . . ?
C42 C41 C40 119.8(2) . . ?
C42 C41 H41 120.1 . . ?
C40 C41 H41 120.1 . . ?
C43 C42 C41 120.8(2) . . ?
C43 C42 H42 119.6 . . ?
C41 C42 H42 119.6 . . ?
C42 C43 C38 119.4(2) . . ?
C42 C43 H43 120.3 . . ?
C38 C43 H43 120.3 . . ?
C45 C44 C49 119.9(2) . . ?
C45 C44 P1 119.39(18) . . ?
C49 C44 P1 120.70(17) . . ?
C46 C45 C44 119.5(2) . . ?
C46 C45 H45 120.3 . . ?
C44 C45 H45 120.3 . . ?
C47 C46 C45 120.1(2) . . ?
C47 C46 H46 119.9 . . ?
C45 C46 H46 119.9 . . ?
C48 C47 C46 120.7(2) . . ?
C48 C47 H47 119.7 . . ?
C46 C47 H47 119.7 . . ?
C47 C48 C49 120.2(2) . . ?
C47 C48 H48 119.9 . . ?
C49 C48 H48 119.9 . . ?
C48 C49 C44 119.7(2) . . ?
C48 C49 H49 120.2 . . ?
C44 C49 H49 120.2 . . ?
C55 C50 C51 120.4(2) . . ?
C55 C50 P1 121.22(17) . . ?
C51 C50 P1 118.26(16) . . ?
C52 C51 C50 119.8(2) . . ?
C52 C51 H51 120.1 . . ?
C50 C51 H51 120.1 . . ?
C51 C52 C53 119.6(2) . . ?
C51 C52 H52 120.2 . . ?
C53 C52 H52 120.2 . . ?
C54 C53 C52 120.7(2) . . ?
C54 C53 H53 119.6 . . ?
C52 C53 H53 119.6 . . ?
C53 C54 C55 120.3(2) . . ?
C53 C54 H54 119.8 . . ?
C55 C54 H54 119.8 . . ?
C54 C55 C50 119.1(2) . . ?
C54 C55 H55 120.5 . . ?
C50 C55 H55 120.5 . . ?
S1 Au1 S3 169.748(19) . . ?
S1 Au1 S4 91.94(2) . . ?
S3 Au1 S4 89.27(2) . . ?
S1 Au1 S2 89.08(3) . . ?
S3 Au1 S2 91.60(2) . . ?
S4 Au1 S2 169.463(19) . . ?
C2 O1 C1 116.15(16) . . ?
C15 O2 C16 116.94(18) . . ?
C18 O3 C17 117.60(18) . . ?
C56 O4 C31 116.6(2) . . ?
C38 P1 C50 106.57(10) . . ?
C38 P1 C32 108.49(10) . . ?
C50 P1 C32 109.29(10) . . ?
C38 P1 C44 113.86(10) . . ?
C50 P1 C44 109.70(11) . . ?
C32 P1 C44 108.85(10) . . ?
C8 S1 Au1 103.06(7) . . ?
C9 S2 Au1 102.77(7) . . ?
C25 S3 Au1 103.01(7) . . ?
C24 S4 Au1 102.70(7) . . ?

_refine_diff_density_max         0.375
_refine_diff_density_min         -1.020
_refine_diff_density_rms         0.098

####################################################################### 
# 
# 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_p21c_a
_database_code_depnum_ccdc_archive 'CCDC 1857517'
_audit_update_record             
;
2018-07-23 deposited with the CCDC.
2018-11-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C32 H28 Au O4 S4, C Cl2'
_chemical_formula_sum            'C33 H28 Au Cl2 O4 S4'
_chemical_formula_weight         884.66

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'
O O 0.0106 0.0060 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'P 21/c'

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'

_cell_length_a                   11.584(4)
_cell_length_b                   15.448(5)
_cell_length_c                   9.441(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 102.511(2)
_cell_angle_gamma                90.00
_cell_volume                     1649.5(9)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9895
_cell_measurement_theta_min      2.232
_cell_measurement_theta_max      26.581

_exptl_crystal_description       blobk
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             870
_exptl_absorpt_coefficient_mu    4.912
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.4400
_exptl_absorpt_correction_T_max  0.6947
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         0
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            21212
_diffrn_reflns_av_R_equivalents  0.0187
_diffrn_reflns_av_sigmaI/netI    0.0104
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.23
_diffrn_reflns_theta_max         26.59
_reflns_number_total             3449
_reflns_number_gt                3230
_reflns_threshold_expression     >2σ(I)

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2σ(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0198P)²+3.1667P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3449
_refine_ls_number_parameters     201
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0202
_refine_ls_R_factor_gt           0.0187
_refine_ls_wR_factor_ref         0.0463
_refine_ls_wR_factor_gt          0.0453
_refine_ls_goodness_of_fit_ref   1.062
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.000
_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.1555(4) 0.5997(2) 0.6363(4) 0.0471(9) Uani 1 1 d . . .
H1A H 0.0723 0.5923 0.6405 0.071 Uiso 1 1 calc R . .
H1B H 0.1705 0.6606 0.6177 0.071 Uiso 1 1 calc R . .
H1C H 0.2060 0.5819 0.7289 0.071 Uiso 1 1 calc R . .
C2 C 0.1642(2) 0.46013(17) 0.5306(3) 0.0258(5) Uani 1 1 d . . .
C3 C 0.1113(2) 0.41975(16) 0.6327(3) 0.0236(5) Uani 1 1 d . . .
H3 H 0.0839 0.4531 0.7033 0.028 Uiso 1 1 calc R . .
C4 C 0.0993(2) 0.33077(16) 0.6300(3) 0.0195(5) Uani 1 1 d . . .
H4 H 0.0617 0.3037 0.6983 0.023 Uiso 1 1 calc R . .
C5 C 0.1405(2) 0.27941(15) 0.5297(3) 0.0175(5) Uani 1 1 d . . .
C6 C 0.1921(2) 0.32136(17) 0.4266(3) 0.0235(5) Uani 1 1 d . . .
H6 H 0.2203 0.2879 0.3568 0.028 Uiso 1 1 calc R . .
C7 C 0.2024(3) 0.41075(18) 0.4252(3) 0.0275(6) Uani 1 1 d . . .
H7 H 0.2353 0.4383 0.3531 0.033 Uiso 1 1 calc R . .
C8 C 0.1297(2) 0.18339(15) 0.5299(3) 0.0172(4) Uani 1 1 d . . .
C9 C 0.2222(2) 0.12675(15) 0.5360(3) 0.0174(4) Uani 1 1 d . . .
C10 C 0.3475(2) 0.15303(15) 0.5514(3) 0.0186(5) Uani 1 1 d . . .
C11 C 0.4198(2) 0.11035(16) 0.4714(3) 0.0215(5) Uani 1 1 d . . .
H11 H 0.3877 0.0653 0.4062 0.026 Uiso 1 1 calc R . .
C12 C 0.5374(2) 0.13347(17) 0.4868(3) 0.0247(5) Uani 1 1 d . . .
H12 H 0.5856 0.1033 0.4335 0.030 Uiso 1 1 calc R . .
C13 C 0.5854(2) 0.20021(18) 0.5792(3) 0.0249(5) Uani 1 1 d . . .
C14 C 0.5160(2) 0.24250(18) 0.6614(3) 0.0272(6) Uani 1 1 d . . .
H14 H 0.5489 0.2873 0.7268 0.033 Uiso 1 1 calc R . .
C15 C 0.3989(2) 0.21869(17) 0.6470(3) 0.0244(5) Uani 1 1 d . . .
H15 H 0.3521 0.2476 0.7034 0.029 Uiso 1 1 calc R . .
C16 C 0.7517(3) 0.2918(2) 0.6738(4) 0.0439(8) Uani 1 1 d . . .
H16A H 0.7099 0.3452 0.6378 0.066 Uiso 1 1 calc R . .
H16B H 0.8356 0.2976 0.6717 0.066 Uiso 1 1 calc R . .
H16C H 0.7440 0.2811 0.7736 0.066 Uiso 1 1 calc R . .
Au1 Au 0.0000 0.0000 0.5000 0.01552(5) Uani 1 2 d S . .
O1 O 0.1812(2) 0.54753(13) 0.5222(2) 0.0388(5) Uani 1 1 d . . .
O2 O 0.70136(16) 0.22025(14) 0.5830(2) 0.0340(5) Uani 1 1 d . . .
S1 S -0.01486(5) 0.14836(4) 0.51479(7) 0.01952(12) Uani 1 1 d . . .
S2 S 0.20095(5) 0.01505(4) 0.52876(7) 0.01902(12) Uani 1 1 d . . .
Cl1' Cl 0.51423(19) 0.00993(15) 0.1634(2) 0.0476(5) Uiso 0.50 1 d P . .
Cl1 Cl 0.4909(3) -0.0189(2) 0.1441(4) 0.0881(10) Uiso 0.50 1 d P . .
C62 C 0.5154(7) 0.0509(6) -0.0077(9) 0.0547(19) Uiso 0.50 1 d P . .


_geom_special_details            
;
 All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell s.u.'s are taken
 into account individually in the estimation of s.u.'s in distances, angles
 and torsion angles; correlations between s.u.'s in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell s.u.'s is used for estimating s.u.'s 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
C1 O1 1.427(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 H1C 0.9800 . ?
C2 O1 1.369(3) . ?
C2 C3 1.397(4) . ?
C2 C7 1.399(4) . ?
C3 C4 1.381(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.397(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.405(3) . ?
C5 C8 1.489(3) . ?
C6 C7 1.386(4) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C9 1.375(3) . ?
C8 S1 1.736(2) . ?
C9 C10 1.484(3) . ?
C9 S2 1.742(2) . ?
C10 C15 1.402(4) . ?
C10 C11 1.408(3) . ?
C11 C12 1.385(4) . ?
C11 H11 0.9500 . ?
C12 C13 1.387(4) . ?
C12 H12 0.9500 . ?
C13 O2 1.371(3) . ?
C13 C14 1.395(4) . ?
C14 C15 1.384(4) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 O2 1.442(4) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
Au1 S2 2.2964(10) 3_556 ?
Au1 S2 2.2964(10) . ?
Au1 S1 2.3048(9) . ?
Au1 S1 2.3048(9) 3_556 ?
Cl1' Cl1 0.533(4) . ?
Cl1' C62 1.716(9) 3_655 ?
Cl1' C62 1.738(8) . ?
Cl1 C62 1.366(9) 3_655 ?
Cl1 C62 1.864(9) . ?
C62 Cl1 1.366(9) 3_655 ?
C62 C62 1.627(18) 3_655 ?
C62 Cl1' 1.716(9) 3_655 ?

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
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
H1A C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O1 C2 C3 124.8(2) . . ?
O1 C2 C7 115.2(2) . . ?
C3 C2 C7 120.1(2) . . ?
C4 C3 C2 119.3(2) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C3 C4 C5 122.0(2) . . ?
C3 C4 H4 119.0 . . ?
C5 C4 H4 119.0 . . ?
C4 C5 C6 117.8(2) . . ?
C4 C5 C8 121.6(2) . . ?
C6 C5 C8 120.6(2) . . ?
C7 C6 C5 121.1(2) . . ?
C7 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C6 C7 C2 119.7(2) . . ?
C6 C7 H7 120.2 . . ?
C2 C7 H7 120.2 . . ?
C9 C8 C5 124.7(2) . . ?
C9 C8 S1 122.28(18) . . ?
C5 C8 S1 113.00(17) . . ?
C8 C9 C10 124.5(2) . . ?
C8 C9 S2 121.79(18) . . ?
C10 C9 S2 113.67(17) . . ?
C15 C10 C11 117.7(2) . . ?
C15 C10 C9 122.1(2) . . ?
C11 C10 C9 120.2(2) . . ?
C12 C11 C10 120.6(2) . . ?
C12 C11 H11 119.7 . . ?
C10 C11 H11 119.7 . . ?
C11 C12 C13 120.6(2) . . ?
C11 C12 H12 119.7 . . ?
C13 C12 H12 119.7 . . ?
O2 C13 C12 116.2(2) . . ?
O2 C13 C14 124.0(3) . . ?
C12 C13 C14 119.8(2) . . ?
C15 C14 C13 119.4(2) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C10 121.8(2) . . ?
C14 C15 H15 119.1 . . ?
C10 C15 H15 119.1 . . ?
O2 C16 H16A 109.5 . . ?
O2 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
O2 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
S2 Au1 S2 180.0 3_556 . ?
S2 Au1 S1 91.19(2) 3_556 . ?
S2 Au1 S1 88.81(2) . . ?
S2 Au1 S1 88.81(2) 3_556 3_556 ?
S2 Au1 S1 91.19(2) . 3_556 ?
S1 Au1 S1 180.0 . 3_556 ?
C2 O1 C1 117.2(2) . . ?
C13 O2 C16 117.1(2) . . ?
C8 S1 Au1 103.39(8) . . ?
C9 S2 Au1 103.63(8) . . ?
Cl1 Cl1' C62 41.9(5) . 3_655 ?
Cl1 Cl1' C62 95.3(6) . . ?
C62 Cl1' C62 56.2(5) 3_655 . ?
Cl1' Cl1 C62 123.0(7) . 3_655 ?
Cl1' Cl1 C62 68.2(5) . . ?
C62 Cl1 C62 58.0(6) 3_655 . ?
Cl1 C62 C62 76.5(6) 3_655 3_655 ?
Cl1 C62 Cl1' 15.1(2) 3_655 3_655 ?
C62 C62 Cl1' 62.6(5) 3_655 3_655 ?
Cl1 C62 Cl1' 137.3(7) 3_655 . ?
C62 C62 Cl1' 61.2(5) 3_655 . ?
Cl1' C62 Cl1' 123.8(5) 3_655 . ?
Cl1 C62 Cl1 122.0(6) 3_655 . ?
C62 C62 Cl1 45.4(4) 3_655 . ?
Cl1' C62 Cl1 107.8(5) 3_655 . ?
Cl1' C62 Cl1 16.54(14) . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        26.59
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         1.606
_refine_diff_density_min         -0.994
_refine_diff_density_rms         0.080
