# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_20190701zh_zhuyan_syn_0m_a_sq
_database_code_depnum_ccdc_archive 'CCDC 1972938'
loop_
_audit_author_name
_audit_author_address
AuRu 'Nanjing University'
_audit_update_record             
;
2019-12-19 deposited with the CCDC.	2020-01-22 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            'C100 H102 Au4 P2 Ru2 S8'
_chemical_formula_weight         2612.24

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'
Ru Ru -1.2594 0.8363 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_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+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.9904(7)
_cell_length_b                   14.2950(8)
_cell_length_c                   48.384(2)
_cell_angle_alpha                90
_cell_angle_beta                 94.664(2)
_cell_angle_gamma                90
_cell_volume                     9644.4(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9868
_cell_measurement_theta_min      2.25
_cell_measurement_theta_max      28.27

_exptl_crystal_description       block
_exptl_crystal_colour            ?
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.799
_exptl_crystal_F_000             5056
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.050
_exptl_absorpt_coefficient_mu    6.618
_shelx_estimated_absorpt_T_min   0.417
_shelx_estimated_absorpt_T_max   0.733
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.2106
_exptl_absorpt_correction_T_max  0.3343
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            68580
_diffrn_reflns_av_unetI/netI     0.0515
_diffrn_reflns_av_R_equivalents  0.0545
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -57
_diffrn_reflns_limit_l_max       57
_diffrn_reflns_theta_min         2.141
_diffrn_reflns_theta_max         25.010
_diffrn_reflns_theta_full        25.010
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             16960
_reflns_number_gt                15077
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_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)+(0.0244P)²+98.2718P] 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         16960
_refine_ls_number_parameters     1045
_refine_ls_number_restraints     600
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0433
_refine_ls_wR_factor_ref         0.1112
_refine_ls_wR_factor_gt          0.1085
_refine_ls_goodness_of_fit_ref   1.130
_refine_ls_restrained_S_all      1.134
_refine_ls_shift/su_max          0.001
_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 0.85550(2) 0.60872(2) 0.35951(2) 0.02427(8) Uani 1 1 d . . . . .
Au2 Au 0.77313(2) 0.43083(2) 0.38444(2) 0.02476(8) Uani 1 1 d . . . . .
Au3 Au 0.57006(2) 0.52599(2) 0.38255(2) 0.02702(9) Uani 1 1 d . . . . .
Au4 Au 0.65778(2) 0.69908(2) 0.35625(2) 0.02532(8) Uani 1 1 d . . . . .
C1 C 0.4406(6) 0.4311(6) 0.27687(18) 0.0306(19) Uani 1 1 d . U . . .
H1 H 0.448765 0.437417 0.296469 0.037 Uiso 1 1 calc R U . . .
C2 C 0.3484(6) 0.4159(6) 0.26374(19) 0.033(2) Uani 1 1 d . U . . .
H2 H 0.294690 0.412479 0.274516 0.039 Uiso 1 1 calc R U . . .
C3 C 0.3356(7) 0.4059(7) 0.2354(2) 0.039(2) Uani 1 1 d . U . . .
H3 H 0.273324 0.396544 0.226427 0.047 Uiso 1 1 calc R U . . .
C4 C 0.4157(7) 0.4098(7) 0.2200(2) 0.040(2) Uani 1 1 d . U . . .
H4 H 0.407823 0.400995 0.200458 0.048 Uiso 1 1 calc R U . . .
C5 C 0.5053(6) 0.4261(7) 0.23255(19) 0.035(2) Uani 1 1 d . U . . .
H5 H 0.558426 0.430259 0.221579 0.042 Uiso 1 1 calc R U . . .
C6 C 0.5198(6) 0.4369(6) 0.26132(17) 0.0273(18) Uani 1 1 d . U . . .
C7 C 0.6236(6) 0.2496(7) 0.26676(18) 0.033(2) Uani 1 1 d . U . . .
H7 H 0.556517 0.260865 0.264288 0.039 Uiso 1 1 calc R U . . .
C8 C 0.6570(7) 0.1591(7) 0.26535(19) 0.038(2) Uani 1 1 d . U . . .
H8 H 0.612727 0.108771 0.262819 0.046 Uiso 1 1 calc R U . . .
C9 C 0.7544(7) 0.1411(7) 0.2676(2) 0.044(2) Uani 1 1 d . U . . .
H9 H 0.777460 0.078866 0.266233 0.053 Uiso 1 1 calc R U . . .
C10 C 0.8180(7) 0.2154(7) 0.27184(19) 0.036(2) Uani 1 1 d . U . . .
H10 H 0.885073 0.204055 0.272869 0.043 Uiso 1 1 calc R U . . .
C11 C 0.7844(6) 0.3054(7) 0.27458(17) 0.0312(19) Uani 1 1 d . U . . .
H11 H 0.828717 0.354951 0.278452 0.037 Uiso 1 1 calc R U . . .
C12 C 0.6855(6) 0.3246(6) 0.27171(16) 0.0242(17) Uani 1 1 d . U . . .
C13 C 0.7648(7) 0.4829(8) 0.2333(2) 0.044(2) Uani 1 1 d . U . . .
H13 H 0.791787 0.422256 0.235968 0.052 Uiso 1 1 calc R U . . .
C14 C 0.7947(8) 0.5414(9) 0.2128(2) 0.052(3) Uani 1 1 d . U . . .
H14 H 0.842697 0.520097 0.201497 0.063 Uiso 1 1 calc R U . . .
C15 C 0.7567(8) 0.6293(8) 0.2084(2) 0.049(3) Uani 1 1 d . U . . .
H15 H 0.778638 0.668243 0.194362 0.059 Uiso 1 1 calc R U . . .
C16 C 0.6862(8) 0.6608(8) 0.2247(2) 0.048(3) Uani 1 1 d . U . . .
H16 H 0.659533 0.721503 0.221930 0.058 Uiso 1 1 calc R U . . .
C17 C 0.6552(7) 0.6033(7) 0.24493(19) 0.039(2) Uani 1 1 d . U . . .
H17 H 0.605888 0.624470 0.255772 0.047 Uiso 1 1 calc R U . . .
C18 C 0.6945(6) 0.5142(6) 0.24996(17) 0.0280(19) Uani 1 1 d . U . . .
C19 C 0.2626(8) 0.7454(9) 0.3032(2) 0.052(3) Uani 1 1 d . U . . .
H19 H 0.281377 0.742850 0.284731 0.063 Uiso 1 1 calc R U . . .
C20 C 0.1671(8) 0.7472(10) 0.3075(3) 0.064(3) Uani 1 1 d . U . . .
H20 H 0.120313 0.748588 0.292104 0.077 Uiso 1 1 calc R U . . .
C21 C 0.1391(9) 0.7470(10) 0.3340(3) 0.064(3) Uani 1 1 d . U . . .
H21 H 0.072958 0.746714 0.337115 0.077 Uiso 1 1 calc R U . . .
C22 C 0.2066(9) 0.7473(10) 0.3557(3) 0.068(3) Uani 1 1 d . U . . .
H22 H 0.187413 0.749178 0.374055 0.081 Uiso 1 1 calc R U . . .
C23 C 0.3003(9) 0.7450(9) 0.3515(2) 0.058(3) Uani 1 1 d . U . . .
H23 H 0.346155 0.741684 0.367087 0.069 Uiso 1 1 calc R U . . .
C24 C 0.3320(6) 0.7473(7) 0.32505(19) 0.034(2) Uani 1 1 d . U . . .
C25 C 0.4360(7) 0.7408(7) 0.3204(2) 0.041(2) Uani 1 1 d . U . . .
H25A H 0.474078 0.768913 0.336462 0.050 Uiso 1 1 calc R U . . .
H25B H 0.448353 0.777533 0.303739 0.050 Uiso 1 1 calc R U . . .
C26 C 0.4694(6) 0.6413(6) 0.31666(18) 0.0285(18) Uani 1 1 d . U . . .
H26A H 0.435811 0.614355 0.299697 0.034 Uiso 1 1 calc R U . . .
H26B H 0.453472 0.602926 0.332685 0.034 Uiso 1 1 calc R U . . .
C27 C 0.3876(10) 0.9010(10) 0.4292(3) 0.075(4) Uani 1 1 d . U . . .
H27 H 0.450892 0.925505 0.430922 0.090 Uiso 1 1 calc R U . . .
C28 C 0.3087(12) 0.9614(12) 0.4207(3) 0.089(5) Uani 1 1 d . U . . .
H28 H 0.319782 1.024499 0.415745 0.106 Uiso 1 1 calc R U . . .
C29 C 0.2185(10) 0.9276(11) 0.4200(3) 0.074(4) Uani 1 1 d . U . . .
H29 H 0.165793 0.968130 0.415448 0.089 Uiso 1 1 calc R U . . .
C30 C 0.2027(9) 0.8380(10) 0.4256(3) 0.065(3) Uani 1 1 d . U . . .
H30 H 0.138887 0.814709 0.424283 0.079 Uiso 1 1 calc R U . . .
C31 C 0.2790(9) 0.7777(10) 0.4333(2) 0.062(3) Uani 1 1 d . U . . .
H31 H 0.266077 0.714413 0.437619 0.075 Uiso 1 1 calc R U . . .
C32 C 0.3727(8) 0.8085(8) 0.4347(2) 0.045(2) Uani 1 1 d . U . . .
C33 C 0.4549(8) 0.7435(8) 0.4420(2) 0.049(3) Uani 1 1 d . U . . .
H33A H 0.509037 0.778986 0.451388 0.058 Uiso 1 1 calc R U . . .
H33B H 0.435156 0.695014 0.454992 0.058 Uiso 1 1 calc R U . . .
C34 C 0.4868(7) 0.6978(8) 0.41654(19) 0.042(2) Uani 1 1 d . U . . .
H34A H 0.514964 0.745737 0.404881 0.050 Uiso 1 1 calc R U . . .
H34B H 0.430146 0.670987 0.405722 0.050 Uiso 1 1 calc R U . . .
C35 C 0.5579(9) 0.2067(9) 0.4327(3) 0.065(3) Uani 1 1 d . U . . .
H35 H 0.564150 0.221751 0.413820 0.078 Uiso 1 1 calc R U . . .
C36 C 0.4814(11) 0.1505(10) 0.4396(3) 0.082(4) Uani 1 1 d . U . . .
H36 H 0.435463 0.128039 0.425644 0.098 Uiso 1 1 calc R U . . .
C37 C 0.4745(9) 0.1295(10) 0.4659(3) 0.072(4) Uani 1 1 d . U . . .
H37 H 0.422478 0.091702 0.470605 0.086 Uiso 1 1 calc R U . . .
C38 C 0.5384(10) 0.1596(9) 0.4862(3) 0.063(3) Uani 1 1 d . U . . .
H38 H 0.531342 0.142328 0.504884 0.076 Uiso 1 1 calc R U . . .
C39 C 0.6152(9) 0.2162(8) 0.4799(3) 0.060(3) Uani 1 1 d . U . . .
H39 H 0.660702 0.237585 0.494126 0.072 Uiso 1 1 calc R U . . .
C40 C 0.6237(7) 0.2404(7) 0.4527(2) 0.041(2) Uani 1 1 d . U . . .
C41 C 0.7050(8) 0.3034(8) 0.4445(3) 0.057(3) Uani 1 1 d . U . . .
H41A H 0.759212 0.299778 0.458956 0.068 Uiso 1 1 calc R U . . .
H41B H 0.727850 0.280921 0.426861 0.068 Uiso 1 1 calc R U . . .
C42 C 0.6722(6) 0.4045(6) 0.44116(19) 0.032(2) Uani 1 1 d . U . . .
H42A H 0.651768 0.428412 0.458963 0.039 Uiso 1 1 calc R U . . .
H42B H 0.616938 0.408571 0.427075 0.039 Uiso 1 1 calc R U . . .
C43 C 0.6297(6) 0.6542(8) 0.49972(18) 0.038(2) Uani 1 1 d . U . . .
H43 H 0.612082 0.716651 0.494941 0.045 Uiso 1 1 calc R U . . .
C44 C 0.5737(8) 0.6046(8) 0.5167(2) 0.049(3) Uani 1 1 d . U . . .
H44 H 0.517201 0.631285 0.522982 0.058 Uiso 1 1 calc R U . . .
C45 C 0.6016(9) 0.5158(9) 0.5243(2) 0.056(3) Uani 1 1 d . U . . .
H45 H 0.564574 0.480872 0.536269 0.067 Uiso 1 1 calc R U . . .
C46 C 0.6810(9) 0.4773(8) 0.5150(2) 0.053(3) Uani 1 1 d . U . . .
H46 H 0.699988 0.416364 0.521044 0.064 Uiso 1 1 calc R U . . .
C47 C 0.7354(8) 0.5248(8) 0.4968(2) 0.047(3) Uani 1 1 d . U . . .
H47 H 0.788819 0.495224 0.489553 0.057 Uiso 1 1 calc R U . . .
C48 C 0.7110(7) 0.6165(7) 0.48932(18) 0.034(2) Uani 1 1 d . U . . .
C49 C 0.6956(7) 0.8676(7) 0.4604(2) 0.041(2) Uani 1 1 d . U . . .
H49 H 0.666388 0.849310 0.442814 0.049 Uiso 1 1 calc R U . . .
C50 C 0.6819(8) 0.9600(8) 0.4700(2) 0.051(3) Uani 1 1 d . U . . .
H50 H 0.645045 1.004220 0.459082 0.062 Uiso 1 1 calc R U . . .
C51 C 0.7237(9) 0.9832(9) 0.4956(3) 0.060(3) Uani 1 1 d . U . . .
H51 H 0.715226 1.044726 0.502407 0.072 Uiso 1 1 calc R U . . .
C52 C 0.7767(9) 0.9215(9) 0.5116(3) 0.062(3) Uani 1 1 d . U . . .
H52 H 0.804602 0.940044 0.529301 0.075 Uiso 1 1 calc R U . . .
C53 C 0.7900(8) 0.8327(8) 0.5023(2) 0.053(3) Uani 1 1 d . U . . .
H53 H 0.826811 0.789459 0.513609 0.063 Uiso 1 1 calc R U . . .
C54 C 0.7497(6) 0.8046(6) 0.47590(18) 0.032(2) Uani 1 1 d . U . . .
C55 C 0.9594(8) 0.7467(10) 0.4655(2) 0.059(3) Uani 1 1 d . U . . .
H55 H 0.933243 0.784576 0.450650 0.071 Uiso 1 1 calc R U . . .
C56 C 1.0550(11) 0.7578(13) 0.4748(3) 0.092(5) Uani 1 1 d . U . . .
H56 H 1.094949 0.802235 0.466804 0.111 Uiso 1 1 calc R U . . .
C57 C 1.0897(12) 0.6989(14) 0.4970(4) 0.099(5) Uani 1 1 d . U . . .
H57 H 1.155043 0.704289 0.503923 0.119 Uiso 1 1 calc R U . . .
C58 C 1.0340(10) 0.6355(12) 0.5088(3) 0.079(4) Uani 1 1 d . U . . .
H58 H 1.059990 0.597048 0.523592 0.095 Uiso 1 1 calc R U . . .
C59 C 0.9412(8) 0.6275(9) 0.4994(2) 0.051(3) Uani 1 1 d . U . . .
H59 H 0.901496 0.583797 0.507848 0.062 Uiso 1 1 calc R U . . .
C60 C 0.9018(7) 0.6834(8) 0.47699(19) 0.042(2) Uani 1 1 d . U . . .
C61 C 0.9820(6) 0.5584(7) 0.41791(17) 0.0300(19) Uani 1 1 d . U . . .
H61A H 0.989575 0.559466 0.438435 0.036 Uiso 1 1 calc R U . . .
H61B H 0.957364 0.496086 0.411942 0.036 Uiso 1 1 calc R U . . .
C62 C 1.0779(6) 0.5756(7) 0.40650(19) 0.036(2) Uani 1 1 d . U . . .
H62A H 1.103712 0.635965 0.413862 0.043 Uiso 1 1 calc R U . . .
H62B H 1.067741 0.581685 0.386089 0.043 Uiso 1 1 calc R U . . .
C63 C 1.1535(6) 0.4990(7) 0.41337(18) 0.035(2) Uani 1 1 d . U . . .
C64 C 1.2431(7) 0.5109(8) 0.4036(2) 0.047(3) Uani 1 1 d . U . . .
H64 H 1.256650 0.566918 0.394067 0.056 Uiso 1 1 calc R U . . .
C65 C 1.3135(8) 0.4425(9) 0.4073(3) 0.060(3) Uani 1 1 d . U . . .
H65 H 1.373657 0.450717 0.399822 0.072 Uiso 1 1 calc R U . . .
C66 C 1.2957(9) 0.3646(9) 0.4216(2) 0.058(3) Uani 1 1 d . U . . .
H66 H 1.344381 0.318689 0.424877 0.070 Uiso 1 1 calc R U . . .
C67 C 1.2082(9) 0.3512(10) 0.4315(3) 0.065(3) Uani 1 1 d . U . . .
H67 H 1.196095 0.295561 0.441359 0.078 Uiso 1 1 calc R U . . .
C68 C 1.1363(8) 0.4185(8) 0.4272(2) 0.050(3) Uani 1 1 d . U . . .
H68 H 1.075259 0.408219 0.433885 0.060 Uiso 1 1 calc R U . . .
C69 C 0.9027(5) 0.3679(6) 0.33280(17) 0.0262(18) Uani 1 1 d . U . . .
H69A H 0.916604 0.308611 0.323335 0.031 Uiso 1 1 calc R U . . .
H69B H 0.911890 0.419528 0.319634 0.031 Uiso 1 1 calc R U . . .
C70 C 0.9773(6) 0.3798(8) 0.35839(18) 0.038(2) Uani 1 1 d . U . . .
H70A H 0.962008 0.437091 0.368616 0.045 Uiso 1 1 calc R U . . .
H70B H 0.972281 0.325818 0.371018 0.045 Uiso 1 1 calc R U . . .
C71 C 1.0762(6) 0.3861(7) 0.35034(16) 0.031(2) Uani 1 1 d . U . . .
C72 C 1.1061(7) 0.4685(8) 0.33799(19) 0.042(2) Uani 1 1 d . U . . .
H72 H 1.061478 0.518100 0.334586 0.050 Uiso 1 1 calc R U . . .
C73 C 1.2013(8) 0.4798(10) 0.3304(2) 0.059(3) Uani 1 1 d . U . . .
H73 H 1.221970 0.536195 0.322390 0.071 Uiso 1 1 calc R U . . .
C74 C 1.2641(9) 0.4027(11) 0.3355(3) 0.067(3) Uani 1 1 d . U . . .
H74 H 1.327423 0.406406 0.329810 0.080 Uiso 1 1 calc R U . . .
C75 C 1.2363(8) 0.3241(10) 0.3481(2) 0.061(3) Uani 1 1 d . U . . .
H75 H 1.280610 0.274682 0.352311 0.073 Uiso 1 1 calc R U . . .
C76 C 1.1424(7) 0.3166(8) 0.3550(2) 0.048(3) Uani 1 1 d . U . . .
H76 H 1.122995 0.260195 0.363269 0.057 Uiso 1 1 calc R U . . .
C77 C 0.8197(6) 0.6847(6) 0.29482(17) 0.0273(18) Uani 1 1 d . U . . .
H77A H 0.794501 0.675500 0.275296 0.033 Uiso 1 1 calc R U . . .
H77B H 0.775795 0.727580 0.303692 0.033 Uiso 1 1 calc R U . . .
C78 C 0.9158(8) 0.7266(8) 0.2956(2) 0.051(3) Uani 1 1 d . U . . .
H78A H 0.962710 0.676476 0.292733 0.061 Uiso 1 1 calc R U . . .
H78B H 0.931770 0.752711 0.314411 0.061 Uiso 1 1 calc R U . . .
C79 C 0.9279(6) 0.8041(7) 0.2743(2) 0.037(2) Uani 1 1 d . U . . .
C80 C 0.9444(7) 0.8944(8) 0.2839(2) 0.048(3) Uani 1 1 d . U . . .
H80 H 0.945958 0.908166 0.303144 0.058 Uiso 1 1 calc R U . . .
C81 C 0.9586(8) 0.9652(9) 0.2646(3) 0.056(3) Uani 1 1 d . U . . .
H81 H 0.974541 1.026706 0.270784 0.067 Uiso 1 1 calc R U . . .
C82 C 0.9496(8) 0.9460(9) 0.2371(2) 0.055(3) Uani 1 1 d . U . . .
H82 H 0.956014 0.994741 0.224052 0.066 Uiso 1 1 calc R U . . .
C83 C 0.9317(8) 0.8586(10) 0.2282(2) 0.058(3) Uani 1 1 d . U . . .
H83 H 0.926873 0.845467 0.208935 0.070 Uiso 1 1 calc R U . . .
C84 C 0.9205(7) 0.7885(8) 0.2466(2) 0.052(3) Uani 1 1 d . U . . .
H84 H 0.907023 0.727086 0.239857 0.062 Uiso 1 1 calc R U . . .
C85 C 0.8002(7) 0.8549(7) 0.39067(19) 0.037(2) Uani 1 1 d . U . . .
H85A H 0.792581 0.913851 0.400981 0.045 Uiso 1 1 calc R U . . .
H85B H 0.860849 0.825364 0.398196 0.045 Uiso 1 1 calc R U . . .
C86 C 0.8085(8) 0.8783(8) 0.36048(19) 0.044(2) Uani 1 1 d . U . . .
H86A H 0.821224 0.819918 0.350371 0.053 Uiso 1 1 calc R U . . .
H86B H 0.746422 0.903600 0.352530 0.053 Uiso 1 1 calc R U . . .
C87 C 0.8847(8) 0.9465(7) 0.35588(19) 0.043(2) Uani 1 1 d . U . . .
C88 C 0.8624(12) 1.0339(10) 0.3434(3) 0.079(4) Uani 1 1 d . U . . .
H88 H 0.798003 1.051926 0.338336 0.094 Uiso 1 1 calc R U . . .
C89 C 0.9409(14) 1.0938(12) 0.3388(3) 0.094(5) Uani 1 1 d . U . . .
H89 H 0.928111 1.153675 0.330774 0.113 Uiso 1 1 calc R U . . .
C90 C 1.0304(12) 1.0692(12) 0.3452(3) 0.085(4) Uani 1 1 d . U . . .
H90 H 1.080874 1.109434 0.340729 0.102 Uiso 1 1 calc R U . . .
C91 C 1.0504(12) 0.9905(12) 0.3576(3) 0.084(4) Uani 1 1 d . U . . .
H91 H 1.115325 0.978009 0.363737 0.101 Uiso 1 1 calc R U . . .
C92 C 0.9829(9) 0.9244(10) 0.3623(2) 0.065(3) Uani 1 1 d . U . . .
H92 H 1.001399 0.864869 0.369629 0.078 Uiso 1 1 calc R U . . .
C93 C 0.5518(7) 0.3176(6) 0.35650(18) 0.033(2) Uani 1 1 d . U . . .
H93A H 0.613230 0.309402 0.367915 0.040 Uiso 1 1 calc R U . . .
H93B H 0.499189 0.308439 0.368723 0.040 Uiso 1 1 calc R U . . .
C94 C 0.5443(8) 0.2441(7) 0.3342(2) 0.044(2) Uani 1 1 d . U . . .
H94A H 0.487518 0.257455 0.321250 0.053 Uiso 1 1 calc R U . . .
H94B H 0.601766 0.247611 0.323578 0.053 Uiso 1 1 calc R U . . .
C95 C 0.5360(8) 0.1469(7) 0.3453(2) 0.044(2) Uani 1 1 d . U . . .
C96 C 0.6071(9) 0.1094(9) 0.3648(3) 0.062(3) Uani 1 1 d . U . . .
H96 H 0.662027 0.145445 0.370750 0.074 Uiso 1 1 calc R U . . .
C97 C 0.5964(11) 0.0221(11) 0.3748(3) 0.079(4) Uani 1 1 d . U . . .
H97 H 0.644900 -0.002219 0.387761 0.095 Uiso 1 1 calc R U . . .
C98 C 0.5206(11) -0.0311(10) 0.3673(3) 0.076(4) Uani 1 1 d . U . . .
H98 H 0.515911 -0.092403 0.374684 0.091 Uiso 1 1 calc R U . . .
C99 C 0.4528(12) 0.0013(12) 0.3497(4) 0.092(5) Uani 1 1 d . U . . .
H99 H 0.398807 -0.036598 0.344223 0.111 Uiso 1 1 calc R U . . .
C100 C 0.4597(10) 0.0933(9) 0.3388(3) 0.068(3) Uani 1 1 d . U . . .
H100 H 0.408688 0.116905 0.326653 0.081 Uiso 1 1 calc R U . . .
P1 P 0.77393(16) 0.68369(16) 0.46440(4) 0.0270(5) Uani 1 1 d . . . . .
P2 P 0.64401(14) 0.44402(15) 0.27753(4) 0.0225(4) Uani 1 1 d . . . . .
Ru1 Ru 0.67876(4) 0.49360(5) 0.32031(2) 0.02011(14) Uani 1 1 d . . . . .
Ru2 Ru 0.74076(5) 0.63662(5) 0.42132(2) 0.02391(15) Uani 1 1 d . . . . .
S1 S 0.89746(15) 0.64849(16) 0.40535(4) 0.0273(4) Uani 1 1 d . . . . .
S2 S 0.70099(16) 0.77705(16) 0.39709(4) 0.0297(5) Uani 1 1 d . . . . .
S3 S 0.57522(15) 0.60475(16) 0.42436(4) 0.0281(5) Uani 1 1 d . . . . .
S4 S 0.77166(15) 0.47491(16) 0.43032(4) 0.0268(4) Uani 1 1 d . . . . .
S5 S 0.82399(14) 0.57177(15) 0.31296(4) 0.0236(4) Uani 1 1 d . . . . .
S6 S 0.77595(14) 0.36679(15) 0.34064(4) 0.0253(4) Uani 1 1 d . . . . .
S7 S 0.54581(14) 0.43657(15) 0.34293(4) 0.0258(4) Uani 1 1 d . . . . .
S8 S 0.59933(14) 0.63910(15) 0.31380(4) 0.0242(4) 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
Au1 S1 2.318(2) . ?
Au1 S5 2.321(2) . ?
Au1 Au4 3.0454(5) . ?
Au1 Au2 3.0781(5) . ?
Au2 S4 2.309(2) . ?
Au2 S6 2.312(2) . ?
Au2 Au3 3.1444(5) . ?
Au3 S7 2.306(2) . ?
Au3 S3 2.311(2) . ?
Au3 Au4 3.0822(5) . ?
Au4 S2 2.306(2) . ?
Au4 S8 2.313(2) . ?
C1 C6 1.392(12) . ?
C1 C2 1.407(12) . ?
C1 H1 0.9500 . ?
C2 C3 1.378(13) . ?
C2 H2 0.9500 . ?
C3 C4 1.396(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.369(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(12) . ?
C5 H5 0.9500 . ?
C6 P2 1.850(8) . ?
C7 C8 1.380(13) . ?
C7 C12 1.387(12) . ?
C7 H7 0.9500 . ?
C8 C9 1.382(14) . ?
C8 H8 0.9500 . ?
C9 C10 1.390(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.379(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.407(12) . ?
C11 H11 0.9500 . ?
C12 P2 1.832(8) . ?
C13 C14 1.388(14) . ?
C13 C18 1.394(13) . ?
C13 H13 0.9500 . ?
C14 C15 1.374(16) . ?
C14 H14 0.9500 . ?
C15 C16 1.387(15) . ?
C15 H15 0.9500 . ?
C16 C17 1.374(14) . ?
C16 H16 0.9500 . ?
C17 C18 1.400(13) . ?
C17 H17 0.9500 . ?
C18 P2 1.854(9) . ?
C19 C20 1.369(15) . ?
C19 C24 1.378(13) . ?
C19 H19 0.9500 . ?
C20 C21 1.373(16) . ?
C20 H20 0.9500 . ?
C21 C22 1.352(17) . ?
C21 H21 0.9500 . ?
C22 C23 1.344(16) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(14) . ?
C23 H23 0.9500 . ?
C24 C25 1.493(13) . ?
C25 C26 1.511(12) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 S8 1.835(8) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C32 1.369(17) . ?
C27 C28 1.434(19) . ?
C27 H27 0.9500 . ?
C28 C29 1.35(2) . ?
C28 H28 0.9500 . ?
C29 C30 1.331(19) . ?
C29 H29 0.9500 . ?
C30 C31 1.399(17) . ?
C30 H30 0.9500 . ?
C31 C32 1.378(16) . ?
C31 H31 0.9500 . ?
C32 C33 1.498(14) . ?
C33 C34 1.494(13) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 S3 1.835(10) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C40 1.366(16) . ?
C35 C36 1.400(18) . ?
C35 H35 0.9500 . ?
C36 C37 1.316(19) . ?
C36 H36 0.9500 . ?
C37 C38 1.345(18) . ?
C37 H37 0.9500 . ?
C38 C39 1.399(17) . ?
C38 H38 0.9500 . ?
C39 C40 1.375(15) . ?
C39 H39 0.9500 . ?
C40 C41 1.527(14) . ?
C41 C42 1.522(14) . ?
C41 H41A 0.9900 . ?
C41 H41B 0.9900 . ?
C42 S4 1.828(9) . ?
C42 H42A 0.9900 . ?
C42 H42B 0.9900 . ?
C43 C44 1.377(13) . ?
C43 C48 1.389(13) . ?
C43 H43 0.9500 . ?
C44 C45 1.369(16) . ?
C44 H44 0.9500 . ?
C45 C46 1.349(16) . ?
C45 H45 0.9500 . ?
C46 C47 1.388(15) . ?
C46 H46 0.9500 . ?
C47 C48 1.395(14) . ?
C47 H47 0.9500 . ?
C48 P1 1.824(9) . ?
C49 C54 1.361(13) . ?
C49 C50 1.419(15) . ?
C49 H49 0.9500 . ?
C50 C51 1.365(16) . ?
C50 H50 0.9500 . ?
C51 C52 1.354(17) . ?
C51 H51 0.9500 . ?
C52 C53 1.366(16) . ?
C52 H52 0.9500 . ?
C53 C54 1.410(13) . ?
C53 H53 0.9500 . ?
C54 P1 1.856(9) . ?
C55 C60 1.359(16) . ?
C55 C56 1.384(18) . ?
C55 H55 0.9500 . ?
C56 C57 1.42(2) . ?
C56 H56 0.9500 . ?
C57 C58 1.35(2) . ?
C57 H57 0.9500 . ?
C58 C59 1.344(17) . ?
C58 H58 0.9500 . ?
C59 C60 1.423(15) . ?
C59 H59 0.9500 . ?
C60 P1 1.843(10) . ?
C61 C62 1.512(12) . ?
C61 S1 1.819(9) . ?
C61 H61A 0.9900 . ?
C61 H61B 0.9900 . ?
C62 C63 1.540(13) . ?
C62 H62A 0.9900 . ?
C62 H62B 0.9900 . ?
C63 C68 1.361(15) . ?
C63 C64 1.387(14) . ?
C64 C65 1.388(16) . ?
C64 H64 0.9500 . ?
C65 C66 1.346(18) . ?
C65 H65 0.9500 . ?
C66 C67 1.362(17) . ?
C66 H66 0.9500 . ?
C67 C68 1.396(16) . ?
C67 H67 0.9500 . ?
C68 H68 0.9500 . ?
C69 C70 1.562(12) . ?
C69 S6 1.844(8) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C70 C71 1.470(12) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C76 1.364(14) . ?
C71 C72 1.399(14) . ?
C72 C73 1.419(14) . ?
C72 H72 0.9500 . ?
C73 C74 1.418(18) . ?
C73 H73 0.9500 . ?
C74 C75 1.352(18) . ?
C74 H74 0.9500 . ?
C75 C76 1.385(15) . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C78 1.469(13) . ?
C77 S5 1.836(8) . ?
C77 H77A 0.9900 . ?
C77 H77B 0.9900 . ?
C78 C79 1.532(13) . ?
C78 H78A 0.9900 . ?
C78 H78B 0.9900 . ?
C79 C84 1.356(14) . ?
C79 C80 1.385(15) . ?
C80 C81 1.403(16) . ?
C80 H80 0.9500 . ?
C81 C82 1.353(16) . ?
C81 H81 0.9500 . ?
C82 C83 1.338(17) . ?
C82 H82 0.9500 . ?
C83 C84 1.356(16) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 C86 1.512(12) . ?
C85 S2 1.825(9) . ?
C85 H85A 0.9900 . ?
C85 H85B 0.9900 . ?
C86 C87 1.475(14) . ?
C86 H86A 0.9900 . ?
C86 H86B 0.9900 . ?
C87 C88 1.411(17) . ?
C87 C92 1.419(17) . ?
C88 C89 1.43(2) . ?
C88 H88 0.9500 . ?
C89 C90 1.31(2) . ?
C89 H89 0.9500 . ?
C90 C91 1.29(2) . ?
C90 H90 0.9500 . ?
C91 C92 1.368(19) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93 C94 1.504(13) . ?
C93 S7 1.822(9) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 C95 1.498(14) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
C95 C100 1.331(15) . ?
C95 C96 1.419(15) . ?
C96 C97 1.352(18) . ?
C96 H96 0.9500 . ?
C97 C98 1.33(2) . ?
C97 H97 0.9500 . ?
C98 C99 1.31(2) . ?
C98 H98 0.9500 . ?
C99 C100 1.422(19) . ?
C99 H99 0.9500 . ?
C100 H100 0.9500 . ?
P1 Ru2 2.203(2) . ?
P2 Ru1 2.204(2) . ?
Ru1 S8 2.367(2) . ?
Ru1 S5 2.371(2) . ?
Ru1 S7 2.378(2) . ?
Ru1 S6 2.426(2) . ?
Ru2 S2 2.368(2) . ?
Ru2 S3 2.377(2) . ?
Ru2 S4 2.385(2) . ?
Ru2 S1 2.389(2) . ?

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
S1 Au1 S5 176.09(7) . . ?
S1 Au1 Au4 95.96(5) . . ?
S5 Au1 Au4 86.92(5) . . ?
S1 Au1 Au2 84.35(5) . . ?
S5 Au1 Au2 98.31(5) . . ?
Au4 Au1 Au2 90.187(12) . . ?
S4 Au2 S6 172.49(8) . . ?
S4 Au2 Au1 100.61(6) . . ?
S6 Au2 Au1 86.17(5) . . ?
S4 Au2 Au3 80.29(5) . . ?
S6 Au2 Au3 103.15(5) . . ?
Au1 Au2 Au3 89.849(12) . . ?
S7 Au3 S3 171.74(7) . . ?
S7 Au3 Au4 97.96(5) . . ?
S3 Au3 Au4 89.15(6) . . ?
S7 Au3 Au2 81.71(5) . . ?
S3 Au3 Au2 102.79(5) . . ?
Au4 Au3 Au2 88.293(12) . . ?
S2 Au4 S8 171.58(8) . . ?
S2 Au4 Au1 89.25(6) . . ?
S8 Au4 Au1 98.21(5) . . ?
S2 Au4 Au3 96.88(6) . . ?
S8 Au4 Au3 86.85(5) . . ?
Au1 Au4 Au3 91.637(12) . . ?
C6 C1 C2 120.4(8) . . ?
C6 C1 H1 119.8 . . ?
C2 C1 H1 119.8 . . ?
C3 C2 C1 120.4(8) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 118.9(8) . . ?
C2 C3 H3 120.6 . . ?
C4 C3 H3 120.6 . . ?
C5 C4 C3 121.0(9) . . ?
C5 C4 H4 119.5 . . ?
C3 C4 H4 119.5 . . ?
C4 C5 C6 121.0(9) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C1 C6 C5 118.3(8) . . ?
C1 C6 P2 122.4(6) . . ?
C5 C6 P2 118.9(7) . . ?
C8 C7 C12 121.7(9) . . ?
C8 C7 H7 119.2 . . ?
C12 C7 H7 119.2 . . ?
C7 C8 C9 120.4(9) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C8 C9 C10 119.0(9) . . ?
C8 C9 H9 120.5 . . ?
C10 C9 H9 120.5 . . ?
C11 C10 C9 120.5(9) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.8(8) . . ?
C10 C11 H11 119.6 . . ?
C12 C11 H11 119.6 . . ?
C7 C12 C11 117.5(8) . . ?
C7 C12 P2 123.1(6) . . ?
C11 C12 P2 119.3(6) . . ?
C14 C13 C18 119.2(10) . . ?
C14 C13 H13 120.4 . . ?
C18 C13 H13 120.4 . . ?
C15 C14 C13 121.7(11) . . ?
C15 C14 H14 119.2 . . ?
C13 C14 H14 119.2 . . ?
C14 C15 C16 119.6(10) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
C17 C16 C15 119.3(10) . . ?
C17 C16 H16 120.3 . . ?
C15 C16 H16 120.3 . . ?
C16 C17 C18 121.7(10) . . ?
C16 C17 H17 119.1 . . ?
C18 C17 H17 119.1 . . ?
C13 C18 C17 118.5(9) . . ?
C13 C18 P2 124.7(7) . . ?
C17 C18 P2 116.7(7) . . ?
C20 C19 C24 121.2(11) . . ?
C20 C19 H19 119.4 . . ?
C24 C19 H19 119.4 . . ?
C19 C20 C21 119.9(11) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 119.4(12) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C23 C22 C21 120.8(12) . . ?
C23 C22 H22 119.6 . . ?
C21 C22 H22 119.6 . . ?
C22 C23 C24 121.8(11) . . ?
C22 C23 H23 119.1 . . ?
C24 C23 H23 119.1 . . ?
C19 C24 C23 116.8(9) . . ?
C19 C24 C25 121.2(9) . . ?
C23 C24 C25 121.7(9) . . ?
C24 C25 C26 113.0(8) . . ?
C24 C25 H25A 109.0 . . ?
C26 C25 H25A 109.0 . . ?
C24 C25 H25B 109.0 . . ?
C26 C25 H25B 109.0 . . ?
H25A C25 H25B 107.8 . . ?
C25 C26 S8 110.0(6) . . ?
C25 C26 H26A 109.7 . . ?
S8 C26 H26A 109.7 . . ?
C25 C26 H26B 109.7 . . ?
S8 C26 H26B 109.7 . . ?
H26A C26 H26B 108.2 . . ?
C32 C27 C28 120.8(14) . . ?
C32 C27 H27 119.6 . . ?
C28 C27 H27 119.6 . . ?
C29 C28 C27 119.2(15) . . ?
C29 C28 H28 120.4 . . ?
C27 C28 H28 120.4 . . ?
C30 C29 C28 120.7(14) . . ?
C30 C29 H29 119.7 . . ?
C28 C29 H29 119.7 . . ?
C29 C30 C31 120.7(13) . . ?
C29 C30 H30 119.7 . . ?
C31 C30 H30 119.7 . . ?
C32 C31 C30 121.3(13) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C27 C32 C31 117.2(11) . . ?
C27 C32 C33 121.3(11) . . ?
C31 C32 C33 121.5(11) . . ?
C34 C33 C32 110.6(8) . . ?
C34 C33 H33A 109.5 . . ?
C32 C33 H33A 109.5 . . ?
C34 C33 H33B 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 108.1 . . ?
C33 C34 S3 112.8(7) . . ?
C33 C34 H34A 109.0 . . ?
S3 C34 H34A 109.0 . . ?
C33 C34 H34B 109.0 . . ?
S3 C34 H34B 109.0 . . ?
H34A C34 H34B 107.8 . . ?
C40 C35 C36 121.2(12) . . ?
C40 C35 H35 119.4 . . ?
C36 C35 H35 119.4 . . ?
C37 C36 C35 118.6(14) . . ?
C37 C36 H36 120.7 . . ?
C35 C36 H36 120.7 . . ?
C36 C37 C38 122.5(14) . . ?
C36 C37 H37 118.8 . . ?
C38 C37 H37 118.8 . . ?
C37 C38 C39 120.1(12) . . ?
C37 C38 H38 120.0 . . ?
C39 C38 H38 120.0 . . ?
C40 C39 C38 118.8(12) . . ?
C40 C39 H39 120.6 . . ?
C38 C39 H39 120.6 . . ?
C35 C40 C39 118.9(11) . . ?
C35 C40 C41 119.9(10) . . ?
C39 C40 C41 121.3(10) . . ?
C42 C41 C40 111.3(9) . . ?
C42 C41 H41A 109.4 . . ?
C40 C41 H41A 109.4 . . ?
C42 C41 H41B 109.4 . . ?
C40 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
C41 C42 S4 108.9(6) . . ?
C41 C42 H42A 109.9 . . ?
S4 C42 H42A 109.9 . . ?
C41 C42 H42B 109.9 . . ?
S4 C42 H42B 109.9 . . ?
H42A C42 H42B 108.3 . . ?
C44 C43 C48 122.6(10) . . ?
C44 C43 H43 118.7 . . ?
C48 C43 H43 118.7 . . ?
C45 C44 C43 118.3(11) . . ?
C45 C44 H44 120.9 . . ?
C43 C44 H44 120.9 . . ?
C46 C45 C44 120.9(11) . . ?
C46 C45 H45 119.6 . . ?
C44 C45 H45 119.6 . . ?
C45 C46 C47 121.4(11) . . ?
C45 C46 H46 119.3 . . ?
C47 C46 H46 119.3 . . ?
C46 C47 C48 119.3(11) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 H47 120.4 . . ?
C43 C48 C47 117.5(9) . . ?
C43 C48 P1 119.2(7) . . ?
C47 C48 P1 123.1(8) . . ?
C54 C49 C50 121.2(9) . . ?
C54 C49 H49 119.4 . . ?
C50 C49 H49 119.4 . . ?
C51 C50 C49 117.7(11) . . ?
C51 C50 H50 121.2 . . ?
C49 C50 H50 121.2 . . ?
C52 C51 C50 122.3(12) . . ?
C52 C51 H51 118.9 . . ?
C50 C51 H51 118.9 . . ?
C51 C52 C53 120.0(12) . . ?
C51 C52 H52 120.0 . . ?
C53 C52 H52 120.0 . . ?
C52 C53 C54 120.5(11) . . ?
C52 C53 H53 119.7 . . ?
C54 C53 H53 119.7 . . ?
C49 C54 C53 118.3(9) . . ?
C49 C54 P1 123.9(7) . . ?
C53 C54 P1 117.8(8) . . ?
C60 C55 C56 122.2(13) . . ?
C60 C55 H55 118.9 . . ?
C56 C55 H55 118.9 . . ?
C55 C56 C57 116.1(15) . . ?
C55 C56 H56 121.9 . . ?
C57 C56 H56 121.9 . . ?
C58 C57 C56 122.9(15) . . ?
C58 C57 H57 118.6 . . ?
C56 C57 H57 118.6 . . ?
C59 C58 C57 119.2(15) . . ?
C59 C58 H58 120.4 . . ?
C57 C58 H58 120.4 . . ?
C58 C59 C60 120.9(13) . . ?
C58 C59 H59 119.5 . . ?
C60 C59 H59 119.5 . . ?
C55 C60 C59 118.6(10) . . ?
C55 C60 P1 117.1(9) . . ?
C59 C60 P1 124.0(9) . . ?
C62 C61 S1 109.6(6) . . ?
C62 C61 H61A 109.8 . . ?
S1 C61 H61A 109.8 . . ?
C62 C61 H61B 109.8 . . ?
S1 C61 H61B 109.8 . . ?
H61A C61 H61B 108.2 . . ?
C61 C62 C63 114.8(8) . . ?
C61 C62 H62A 108.6 . . ?
C63 C62 H62A 108.6 . . ?
C61 C62 H62B 108.6 . . ?
C63 C62 H62B 108.6 . . ?
H62A C62 H62B 107.5 . . ?
C68 C63 C64 118.2(10) . . ?
C68 C63 C62 124.1(9) . . ?
C64 C63 C62 117.6(9) . . ?
C65 C64 C63 121.4(11) . . ?
C65 C64 H64 119.3 . . ?
C63 C64 H64 119.3 . . ?
C66 C65 C64 119.4(12) . . ?
C66 C65 H65 120.3 . . ?
C64 C65 H65 120.3 . . ?
C65 C66 C67 120.4(12) . . ?
C65 C66 H66 119.8 . . ?
C67 C66 H66 119.8 . . ?
C66 C67 C68 120.5(13) . . ?
C66 C67 H67 119.8 . . ?
C68 C67 H67 119.8 . . ?
C63 C68 C67 120.1(11) . . ?
C63 C68 H68 119.9 . . ?
C67 C68 H68 119.9 . . ?
C70 C69 S6 115.5(6) . . ?
C70 C69 H69A 108.4 . . ?
S6 C69 H69A 108.4 . . ?
C70 C69 H69B 108.4 . . ?
S6 C69 H69B 108.4 . . ?
H69A C69 H69B 107.5 . . ?
C71 C70 C69 112.3(7) . . ?
C71 C70 H70A 109.1 . . ?
C69 C70 H70A 109.1 . . ?
C71 C70 H70B 109.1 . . ?
C69 C70 H70B 109.1 . . ?
H70A C70 H70B 107.9 . . ?
C76 C71 C72 117.5(9) . . ?
C76 C71 C70 123.5(10) . . ?
C72 C71 C70 119.0(9) . . ?
C71 C72 C73 121.7(11) . . ?
C71 C72 H72 119.2 . . ?
C73 C72 H72 119.2 . . ?
C72 C73 C74 116.6(12) . . ?
C72 C73 H73 121.7 . . ?
C74 C73 H73 121.7 . . ?
C75 C74 C73 121.8(12) . . ?
C75 C74 H74 119.1 . . ?
C73 C74 H74 119.1 . . ?
C74 C75 C76 119.0(12) . . ?
C74 C75 H75 120.5 . . ?
C76 C75 H75 120.5 . . ?
C71 C76 C75 123.3(12) . . ?
C71 C76 H76 118.4 . . ?
C75 C76 H76 118.4 . . ?
C78 C77 S5 110.6(6) . . ?
C78 C77 H77A 109.5 . . ?
S5 C77 H77A 109.5 . . ?
C78 C77 H77B 109.5 . . ?
S5 C77 H77B 109.5 . . ?
H77A C77 H77B 108.1 . . ?
C77 C78 C79 115.3(8) . . ?
C77 C78 H78A 108.4 . . ?
C79 C78 H78A 108.4 . . ?
C77 C78 H78B 108.4 . . ?
C79 C78 H78B 108.4 . . ?
H78A C78 H78B 107.5 . . ?
C84 C79 C80 118.8(10) . . ?
C84 C79 C78 123.0(10) . . ?
C80 C79 C78 118.2(9) . . ?
C79 C80 C81 118.6(10) . . ?
C79 C80 H80 120.7 . . ?
C81 C80 H80 120.7 . . ?
C82 C81 C80 120.1(11) . . ?
C82 C81 H81 120.0 . . ?
C80 C81 H81 120.0 . . ?
C83 C82 C81 120.3(11) . . ?
C83 C82 H82 119.9 . . ?
C81 C82 H82 119.9 . . ?
C82 C83 C84 120.6(11) . . ?
C82 C83 H83 119.7 . . ?
C84 C83 H83 119.7 . . ?
C79 C84 C83 121.5(11) . . ?
C79 C84 H84 119.2 . . ?
C83 C84 H84 119.2 . . ?
C86 C85 S2 114.8(7) . . ?
C86 C85 H85A 108.6 . . ?
S2 C85 H85A 108.6 . . ?
C86 C85 H85B 108.6 . . ?
S2 C85 H85B 108.6 . . ?
H85A C85 H85B 107.6 . . ?
C87 C86 C85 113.9(8) . . ?
C87 C86 H86A 108.8 . . ?
C85 C86 H86A 108.8 . . ?
C87 C86 H86B 108.8 . . ?
C85 C86 H86B 108.8 . . ?
H86A C86 H86B 107.7 . . ?
C88 C87 C92 117.8(12) . . ?
C88 C87 C86 120.8(11) . . ?
C92 C87 C86 121.2(10) . . ?
C87 C88 C89 116.9(15) . . ?
C87 C88 H88 121.5 . . ?
C89 C88 H88 121.5 . . ?
C90 C89 C88 122.2(17) . . ?
C90 C89 H89 118.9 . . ?
C88 C89 H89 118.9 . . ?
C91 C90 C89 120.6(16) . . ?
C91 C90 H90 119.7 . . ?
C89 C90 H90 119.7 . . ?
C90 C91 C92 123.4(16) . . ?
C90 C91 H91 118.3 . . ?
C92 C91 H91 118.3 . . ?
C91 C92 C87 118.6(14) . . ?
C91 C92 H92 120.7 . . ?
C87 C92 H92 120.7 . . ?
C94 C93 S7 113.3(6) . . ?
C94 C93 H93A 108.9 . . ?
S7 C93 H93A 108.9 . . ?
C94 C93 H93B 108.9 . . ?
S7 C93 H93B 108.9 . . ?
H93A C93 H93B 107.7 . . ?
C95 C94 C93 113.2(8) . . ?
C95 C94 H94A 108.9 . . ?
C93 C94 H94A 108.9 . . ?
C95 C94 H94B 108.9 . . ?
C93 C94 H94B 108.9 . . ?
H94A C94 H94B 107.8 . . ?
C100 C95 C96 116.4(11) . . ?
C100 C95 C94 122.3(10) . . ?
C96 C95 C94 121.2(10) . . ?
C97 C96 C95 119.7(12) . . ?
C97 C96 H96 120.2 . . ?
C95 C96 H96 120.2 . . ?
C98 C97 C96 122.6(14) . . ?
C98 C97 H97 118.7 . . ?
C96 C97 H97 118.7 . . ?
C99 C98 C97 119.7(15) . . ?
C99 C98 H98 120.2 . . ?
C97 C98 H98 120.2 . . ?
C98 C99 C100 120.1(15) . . ?
C98 C99 H99 119.9 . . ?
C100 C99 H99 119.9 . . ?
C95 C100 C99 121.5(13) . . ?
C95 C100 H100 119.3 . . ?
C99 C100 H100 119.3 . . ?
C48 P1 C60 106.8(4) . . ?
C48 P1 C54 100.5(4) . . ?
C60 P1 C54 95.7(4) . . ?
C48 P1 Ru2 112.9(3) . . ?
C60 P1 Ru2 115.9(3) . . ?
C54 P1 Ru2 122.6(3) . . ?
C12 P2 C6 100.5(4) . . ?
C12 P2 C18 104.5(4) . . ?
C6 P2 C18 97.2(4) . . ?
C12 P2 Ru1 113.3(3) . . ?
C6 P2 Ru1 122.9(3) . . ?
C18 P2 Ru1 115.7(3) . . ?
P2 Ru1 S8 95.29(8) . . ?
P2 Ru1 S5 97.87(7) . . ?
S8 Ru1 S5 87.98(7) . . ?
P2 Ru1 S7 101.59(8) . . ?
S8 Ru1 S7 89.21(7) . . ?
S5 Ru1 S7 160.51(7) . . ?
P2 Ru1 S6 102.36(8) . . ?
S8 Ru1 S6 162.20(7) . . ?
S5 Ru1 S6 87.37(7) . . ?
S7 Ru1 S6 89.47(7) . . ?
P1 Ru2 S2 103.43(8) . . ?
P1 Ru2 S3 97.55(8) . . ?
S2 Ru2 S3 90.13(8) . . ?
P1 Ru2 S4 95.87(8) . . ?
S2 Ru2 S4 160.69(8) . . ?
S3 Ru2 S4 88.05(8) . . ?
P1 Ru2 S1 98.97(8) . . ?
S2 Ru2 S1 87.97(8) . . ?
S3 Ru2 S1 163.36(8) . . ?
S4 Ru2 S1 88.30(8) . . ?
C61 S1 Au1 104.7(3) . . ?
C61 S1 Ru2 115.5(3) . . ?
Au1 S1 Ru2 97.14(8) . . ?
C85 S2 Au4 107.4(3) . . ?
C85 S2 Ru2 116.7(3) . . ?
Au4 S2 Ru2 92.81(8) . . ?
C34 S3 Au3 101.5(3) . . ?
C34 S3 Ru2 119.5(3) . . ?
Au3 S3 Ru2 90.02(7) . . ?
C42 S4 Au2 101.1(3) . . ?
C42 S4 Ru2 117.1(3) . . ?
Au2 S4 Ru2 96.01(8) . . ?
C77 S5 Au1 105.1(3) . . ?
C77 S5 Ru1 119.4(3) . . ?
Au1 S5 Ru1 93.39(7) . . ?
C69 S6 Au2 105.9(3) . . ?
C69 S6 Ru1 115.3(3) . . ?
Au2 S6 Ru1 91.43(8) . . ?
C93 S7 Au3 102.6(3) . . ?
C93 S7 Ru1 118.1(3) . . ?
Au3 S7 Ru1 97.17(8) . . ?
C26 S8 Au4 102.0(3) . . ?
C26 S8 Ru1 117.6(3) . . ?
Au4 S8 Ru1 94.54(7) . . ?

_refine_diff_density_max         1.171
_refine_diff_density_min         -1.299
_refine_diff_density_rms         0.171



