# Supplementary Information (SI) for Nanoscale.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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 
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data_mo_250222wqangz_au4_0m
_database_code_depnum_ccdc_archive 'CCDC 2538559'
loop_
_audit_author_name
_audit_author_address
'nan xia'
;Anhui Normal University
China
;
_audit_update_record             
;
2026-03-17 deposited with the CCDC.	2026-04-17 downloaded from the CCDC.
;
_audit_creation_date             2025-02-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C144 H162 Au25 S18, 2(C7 H8)'
_chemical_formula_sum            'C158 H178 Au25 S18'
_chemical_formula_weight         7578.24
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.1923(8)
_cell_length_b                   17.8281(10)
_cell_length_c                   18.1066(10)
_cell_angle_alpha                64.902(2)
_cell_angle_beta                 64.499(2)
_cell_angle_gamma                81.122(2)
_cell_volume                     4269.8(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    9731
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      27.372
_cell_measurement_theta_min      2.257
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    21.641
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.4517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1333 before and 0.0847 after correction.
The Ratio of minimum to maximum transmission is 0.6058.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.947
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             3389
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0800
_diffrn_reflns_av_unetI/netI     0.0614
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            82750
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         2.196
_diffrn_ambient_temperature      213.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       ?
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                13328
_reflns_number_total             16750
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.563
_refine_diff_density_min         -1.979
_refine_diff_density_rms         0.292
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.971
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     972
_refine_ls_number_reflns         16750
_refine_ls_number_restraints     210
_refine_ls_R_factor_all          0.0485
_refine_ls_R_factor_gt           0.0359
_refine_ls_restrained_S_all      0.967
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0434P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0911
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
C43 \\sim C42 \\sim C44 \\sim C48 \\sim C45 \\sim C46 \\sim C47 \\sim C42A
\\sim C43A \\sim C48A \\sim C47A \\sim C44A \\sim C46A \\sim C45A \\sim C41:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
C75 \\sim C76 \\sim C77 \\sim C78 \\sim C79 \\sim C74 \\sim C73: within 2A with
sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
3. Others
 Sof(H41C)=Sof(H41D)=Sof(C42A)=Sof(H42C)=Sof(H42D)=Sof(C43A)=Sof(C48A)=
 Sof(H48A)=Sof(C47A)=Sof(H47A)=Sof(C44A)=Sof(H44A)=Sof(C46A)=Sof(H46A)=
 Sof(C45A)=Sof(H45A)=1-FVAR(1)
 Sof(H41A)=Sof(H41B)=Sof(C43)=Sof(C42)=Sof(H42A)=Sof(H42B)=Sof(C44)=Sof(H44)=
 Sof(C48)=Sof(H48)=Sof(C45)=Sof(H45)=Sof(C46)=Sof(H46)=Sof(C47)=Sof(H47)=FVAR(1)
4.a Secondary CH2 refined with riding coordinates:
 C49(H49A,H49B), C65(H65A,H65B), C18(H18A,H18B), C17(H17A,H17B), C50(H50A,
 H50B), C25(H25A,H25B), C41(H41A,H41B), C41(H41C,H41D), C33(H33A,H33B),
 C26(H26A,H26B), C64(H64A,H64B), C66(H66A,H66B), C9(H9A,H9B), C57(H57A,H57B),
 C10(H10A,H10B), C34(H34A,H34B), C2(H2A,H2B), C1(H1A,H1B), C42(H42A,H42B),
 C42A(H42C,H42D)
4.b Aromatic/amide H refined with riding coordinates:
 C20(H20), C28(H28), C59(H59), C61(H61), C31(H31), C52(H52), C32(H32),
 C79(H79), C63(H63), C24(H24), C68(H68), C62(H62), C30(H30), C29(H29), C60(H60),
  C36(H36), C38(H38), C39(H39), C53(H53), C12(H12), C69(H69), C21(H21),
 C70(H70), C40(H40), C71(H71), C16(H16), C22(H22), C37(H37), C54(H54), C23(H23),
  C72(H72), C75(H75), C76(H76), C77(H77), C78(H78), C56(H56), C4(H4), C7(H7),
 C6(H6), C8(H8), C55(H55), C15(H15), C13(H13), C5(H5), C14(H14), C44(H44),
 C48(H48), C45(H45), C46(H46), C47(H47), C48A(H48A), C47A(H47A), C44A(H44A),
 C46A(H46A), C45A(H45A)
4.c Idealised Me refined as rotating group:
 C73(H73A,H73B,H73C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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
Au4 Au 0.500000 0.500000 0.500000 0.02060(11) Uani 1 2 d S . P . .
Au2 Au 0.60280(2) 0.64799(2) 0.38148(3) 0.02745(9) Uani 1 1 d . . . . .
Au7 Au 0.61450(3) 0.54482(2) 0.55573(3) 0.02839(9) Uani 1 1 d . . . . .
Au6 Au 0.44830(3) 0.63057(2) 0.55585(3) 0.02797(9) Uani 1 1 d . . . . .
Au3 Au 0.57627(3) 0.53221(2) 0.31717(3) 0.02850(9) Uani 1 1 d . . . . .
Au5 Au 0.31136(2) 0.50820(2) 0.58299(3) 0.02910(9) Uani 1 1 d . . . . .
Au8 Au 0.57128(3) 0.36882(2) 0.60575(3) 0.02947(9) Uani 1 1 d . . . . .
Au11 Au 0.79682(3) 0.63901(2) 0.40214(3) 0.03117(10) Uani 1 1 d . . . . .
Au13 Au 0.48697(3) 0.80144(2) 0.37482(3) 0.03223(10) Uani 1 1 d . . . . .
Au10 Au 0.47940(3) 0.59983(2) 0.72339(3) 0.03242(10) Uani 1 1 d . . . . .
Au9 Au 0.78182(3) 0.42900(2) 0.54985(3) 0.03202(10) Uani 1 1 d . . . . .
Au1 Au 0.57018(3) 0.72650(2) 0.20275(3) 0.03448(10) Uani 1 1 d . . . . .
Au12 Au 0.26272(3) 0.58238(2) 0.72919(3) 0.03466(10) Uani 1 1 d . . . . .
S3 S 0.41334(17) 0.77118(15) 0.52579(19) 0.0325(6) Uani 1 1 d . . . . .
S6 S 0.63529(18) 0.58563(17) 0.65544(19) 0.0356(6) Uani 1 1 d . . . . .
S9 S 0.72385(17) 0.74382(15) 0.32629(18) 0.0304(5) Uani 1 1 d . . . . .
S4 S 0.32643(19) 0.60963(16) 0.80715(19) 0.0362(6) Uani 1 1 d . . . . .
S7 S 0.70006(18) 0.30391(16) 0.63299(19) 0.0351(6) Uani 1 1 d . . . . .
S1 S 0.5854(2) 0.61235(16) 0.16965(19) 0.0407(7) Uani 1 1 d . . . . .
S8 S 0.88193(17) 0.54245(16) 0.4702(2) 0.0353(6) Uani 1 1 d . . . . .
S5 S 0.18083(18) 0.56907(17) 0.6583(2) 0.0390(6) Uani 1 1 d . . . . .
S2 S 0.55335(19) 0.84856(16) 0.2209(2) 0.0385(6) Uani 1 1 d . . . . .
C49 C 0.7461(7) 0.2495(7) 0.5571(8) 0.042(3) Uani 1 1 d . . . . .
H49A H 0.713086 0.195941 0.586501 0.051 Uiso 1 1 calc R U . . .
H49B H 0.735031 0.282218 0.503152 0.051 Uiso 1 1 calc R U . . .
C65 C 0.7911(7) 0.7656(7) 0.2073(7) 0.037(3) Uani 1 1 d . . . . .
H65A H 0.798282 0.713951 0.198543 0.045 Uiso 1 1 calc R U . . .
H65B H 0.758037 0.803769 0.172509 0.045 Uiso 1 1 calc R U . . .
C18 C 0.5846(7) 0.8133(6) 0.5137(8) 0.038(3) Uani 1 1 d . . . . .
H18A H 0.607687 0.834904 0.448466 0.045 Uiso 1 1 calc R U . . .
H18B H 0.601281 0.755227 0.535580 0.045 Uiso 1 1 calc R U . . .
C17 C 0.4836(7) 0.8190(7) 0.5528(8) 0.043(3) Uani 1 1 d . . . . .
H17A H 0.469815 0.877926 0.535309 0.051 Uiso 1 1 calc R U . . .
H17B H 0.462757 0.794505 0.617947 0.051 Uiso 1 1 calc R U . . .
C50 C 0.8477(8) 0.2349(8) 0.5302(10) 0.058(4) Uani 1 1 d . . . . .
H50A H 0.881083 0.288502 0.497088 0.069 Uiso 1 1 calc R U . . .
H50B H 0.859331 0.205442 0.584266 0.069 Uiso 1 1 calc R U . . .
C25 C 0.3036(7) 0.7204(6) 0.7832(8) 0.038(3) Uani 1 1 d . . . . .
H25A H 0.316926 0.750775 0.719592 0.046 Uiso 1 1 calc R U . . .
H25B H 0.238649 0.726392 0.817398 0.046 Uiso 1 1 calc R U . . .
C20 C 0.6351(9) 0.9493(8) 0.4939(10) 0.061(4) Uani 1 1 d . . . . .
H20 H 0.614426 0.975663 0.448043 0.074 Uiso 1 1 calc R U . . .
C41 C 0.6560(10) 0.4887(9) 0.7359(10) 0.063(3) Uani 1 1 d . U . . .
H41A H 0.622008 0.442750 0.744163 0.075 Uiso 0.566(10) 1 calc R U P A 1
H41B H 0.721317 0.477120 0.714293 0.075 Uiso 0.566(10) 1 calc R U P A 1
H41C H 0.600329 0.453238 0.768729 0.075 Uiso 0.434(10) 1 calc R U P A 2
H41D H 0.704601 0.460494 0.702780 0.075 Uiso 0.434(10) 1 calc R U P A 2
C33 C 0.0919(7) 0.4834(7) 0.7436(8) 0.046(3) Uani 1 1 d . . . . .
H33A H 0.110511 0.432615 0.733061 0.055 Uiso 1 1 calc R U . . .
H33B H 0.085136 0.472047 0.803836 0.055 Uiso 1 1 calc R U . . .
C26 C 0.3617(7) 0.7568(6) 0.8077(8) 0.038(3) Uani 1 1 d . . . . .
H26A H 0.345976 0.728244 0.871944 0.046 Uiso 1 1 calc R U . . .
H26B H 0.426451 0.747957 0.776006 0.046 Uiso 1 1 calc R U . . .
C58 C 0.9507(7) 0.7221(7) 0.4434(8) 0.040(3) Uani 1 1 d . . . . .
C51 C 0.8836(8) 0.1856(7) 0.4737(9) 0.051(3) Uani 1 1 d . . . . .
C19 C 0.6275(7) 0.8626(7) 0.5391(9) 0.045(3) Uani 1 1 d . . . . .
C27 C 0.3475(8) 0.8483(6) 0.7840(7) 0.036(3) Uani 1 1 d . . . . .
C64 C 0.8840(7) 0.5742(6) 0.5539(7) 0.039(3) Uani 1 1 d . . . . .
H64A H 0.824625 0.596406 0.580735 0.047 Uiso 1 1 calc R U . . .
H64B H 0.893869 0.525634 0.601483 0.047 Uiso 1 1 calc R U . . .
C28 C 0.2627(8) 0.8791(7) 0.8162(9) 0.051(3) Uani 1 1 d . . . . .
H28 H 0.211655 0.842194 0.853192 0.062 Uiso 1 1 calc R U . . .
C67 C 0.9347(7) 0.8328(8) 0.0736(8) 0.048(3) Uani 1 1 d . . . . .
C59 C 0.8743(8) 0.7711(8) 0.4678(10) 0.055(3) Uani 1 1 d . . . . .
H59 H 0.827582 0.751332 0.525850 0.067 Uiso 1 1 calc R U . . .
C61 C 0.9351(9) 0.8786(8) 0.3197(10) 0.062(4) Uani 1 1 d . . . . .
H61 H 0.930580 0.931222 0.277868 0.074 Uiso 1 1 calc R U . . .
C31 C 0.4099(9) 0.9896(7) 0.7068(8) 0.049(3) Uani 1 1 d . . . . .
H31 H 0.460470 1.027090 0.669217 0.059 Uiso 1 1 calc R U . . .
C66 C 0.8853(8) 0.8036(9) 0.1733(9) 0.058(4) Uani 1 1 d . . . . .
H66A H 0.878462 0.850536 0.189969 0.070 Uiso 1 1 calc R U . . .
H66B H 0.921711 0.762325 0.201719 0.070 Uiso 1 1 calc R U . . .
C52 C 0.8442(9) 0.1764(9) 0.4237(10) 0.064(4) Uani 1 1 d . . . . .
H52 H 0.790242 0.203948 0.421880 0.077 Uiso 1 1 calc R U . . .
C32 C 0.4211(8) 0.9052(7) 0.7280(7) 0.042(3) Uani 1 1 d . . . . .
H32 H 0.479991 0.885981 0.703839 0.051 Uiso 1 1 calc R U . . .
C9 C 0.4617(9) 0.8985(7) 0.1852(9) 0.050(3) Uani 1 1 d . . . . .
H9A H 0.485285 0.919498 0.120049 0.060 Uiso 1 1 calc R U . . .
H9B H 0.412192 0.857660 0.211082 0.060 Uiso 1 1 calc R U . . .
C79 C 0.3687(10) 0.8693(10) -0.0389(11) 0.070(3) Uani 1 1 d . U . . .
H79 H 0.364934 0.906346 -0.092823 0.084 Uiso 1 1 calc R U . . .
C57 C 0.9602(7) 0.6403(7) 0.5116(9) 0.049(3) Uani 1 1 d . . . . .
H57A H 0.963361 0.650185 0.559665 0.059 Uiso 1 1 calc R U . . .
H57B H 1.018692 0.617638 0.483555 0.059 Uiso 1 1 calc R U . . .
C63 C 1.0160(9) 0.7528(8) 0.3563(9) 0.050(3) Uani 1 1 d . . . . .
H63 H 1.066316 0.720969 0.337610 0.060 Uiso 1 1 calc R U . . .
C10 C 0.4237(9) 0.9704(7) 0.2144(9) 0.052(3) Uani 1 1 d . . . . .
H10A H 0.473784 1.009444 0.192353 0.062 Uiso 1 1 calc R U . . .
H10B H 0.395501 0.949056 0.279805 0.062 Uiso 1 1 calc R U . . .
C24 C 0.6536(8) 0.8232(9) 0.6103(10) 0.058(4) Uani 1 1 d . . . . .
H24 H 0.645190 0.765529 0.642744 0.070 Uiso 1 1 calc R U . . .
C35 C -0.0699(8) 0.4424(8) 0.8061(10) 0.057(4) Uani 1 1 d . . . . .
C11 C 0.3518(10) 1.0155(8) 0.1771(10) 0.058(4) Uani 1 1 d . . . . .
C68 C 0.9324(10) 0.9145(9) 0.0185(9) 0.063(4) Uani 1 1 d . . . . .
H68 H 0.902235 0.952966 0.043491 0.076 Uiso 1 1 calc R U . . .
C62 C 1.0068(10) 0.8312(9) 0.2966(9) 0.067(4) Uani 1 1 d . . . . .
H62 H 1.052297 0.851823 0.238001 0.081 Uiso 1 1 calc R U . . .
C30 C 0.3230(10) 1.0177(8) 0.7419(9) 0.056(4) Uani 1 1 d . . . . .
H30 H 0.314346 1.074630 0.728405 0.067 Uiso 1 1 calc R U . . .
C29 C 0.2499(9) 0.9630(8) 0.7961(10) 0.064(4) Uani 1 1 d . . . . .
H29 H 0.190934 0.982194 0.819742 0.077 Uiso 1 1 calc R U . . .
C34 C 0.0054(9) 0.5099(8) 0.7354(10) 0.060(4) Uani 1 1 d . . . . .
H34A H 0.012040 0.519863 0.675471 0.072 Uiso 1 1 calc R U . . .
H34B H -0.011883 0.561750 0.743811 0.072 Uiso 1 1 calc R U . . .
C60 C 0.8695(9) 0.8489(8) 0.4044(11) 0.065(4) Uani 1 1 d . . . . .
H60 H 0.819458 0.881781 0.420762 0.078 Uiso 1 1 calc R U . . .
C36 C -0.0807(9) 0.3805(9) 0.7853(10) 0.068(4) Uani 1 1 d . . . . .
H36 H -0.043920 0.379517 0.729049 0.082 Uiso 1 1 calc R U . . .
C38 C -0.2021(10) 0.3200(10) 0.9308(11) 0.074(5) Uani 1 1 d . . . . .
H38 H -0.248457 0.278799 0.972058 0.089 Uiso 1 1 calc R U . . .
C39 C -0.1900(10) 0.3805(9) 0.9529(10) 0.069(4) Uani 1 1 d . . . . .
H39 H -0.226080 0.379390 1.010248 0.083 Uiso 1 1 calc R U . . .
C53 C 0.8825(10) 0.1282(11) 0.3773(12) 0.086(6) Uani 1 1 d . . . . .
H53 H 0.854163 0.121934 0.344464 0.103 Uiso 1 1 calc R U . . .
C12 C 0.2611(10) 0.9989(11) 0.2329(12) 0.075(5) Uani 1 1 d . . . . .
H12 H 0.242895 0.960408 0.292512 0.090 Uiso 1 1 calc R U . . .
C69 C 0.9736(12) 0.9399(11) -0.0720(10) 0.083(5) Uani 1 1 d . . . . .
H69 H 0.972402 0.996331 -0.107746 0.100 Uiso 1 1 calc R U . . .
C21 C 0.6734(10) 0.9961(11) 0.5171(15) 0.090(7) Uani 1 1 d . . . . .
H21 H 0.679969 1.054114 0.486727 0.108 Uiso 1 1 calc R U . . .
C70 C 1.0161(10) 0.8877(11) -0.1130(11) 0.078(5) Uani 1 1 d . . . . .
H70 H 1.044748 0.907004 -0.175583 0.094 Uiso 1 1 calc R U . . .
C40 C -0.1249(9) 0.4433(10) 0.8911(10) 0.070(4) Uani 1 1 d . . . . .
H40 H -0.117278 0.486073 0.905303 0.084 Uiso 1 1 calc R U . . .
C71 C 1.0156(11) 0.8050(12) -0.0588(11) 0.090(6) Uani 1 1 d . . . . .
H71 H 1.042272 0.766856 -0.085071 0.108 Uiso 1 1 calc R U . . .
C16 C 0.3771(13) 1.0732(9) 0.0904(14) 0.093(6) Uani 1 1 d . . . . .
H16 H 0.439435 1.085166 0.051895 0.112 Uiso 1 1 calc R U . . .
C22 C 0.7014(11) 0.9553(14) 0.5856(17) 0.110(9) Uani 1 1 d . . . . .
H22 H 0.727982 0.986805 0.600795 0.132 Uiso 1 1 calc R U . . .
C74 C 0.3073(12) 0.8738(11) 0.0391(12) 0.079(3) Uani 1 1 d . U . . .
C3 C 0.8594(14) 0.6466(10) -0.0084(13) 0.102(7) Uani 1 1 d . . . . .
C37 C -0.1474(10) 0.3191(10) 0.8495(11) 0.081(5) Uani 1 1 d . . . . .
H37 H -0.155086 0.275639 0.836366 0.098 Uiso 1 1 calc R U . . .
C54 C 0.9610(13) 0.0888(11) 0.3772(16) 0.109(8) Uani 1 1 d . . . . .
H54 H 0.984706 0.052822 0.347692 0.130 Uiso 1 1 calc R U . . .
C23 C 0.6926(10) 0.8710(13) 0.6329(12) 0.085(6) Uani 1 1 d . . . . .
H23 H 0.712315 0.845571 0.679539 0.102 Uiso 1 1 calc R U . . .
C72 C 0.9770(10) 0.7772(10) 0.0327(11) 0.081(5) Uani 1 1 d . . . . .
H72 H 0.978914 0.720814 0.068101 0.097 Uiso 1 1 calc R U . . .
C75 C 0.3176(12) 0.8194(11) 0.1178(12) 0.082(4) Uani 1 1 d . U . . .
H75 H 0.278176 0.822863 0.172336 0.098 Uiso 1 1 calc R U . . .
C76 C 0.3820(12) 0.7631(12) 0.1167(13) 0.091(4) Uani 1 1 d . U . . .
H76 H 0.385821 0.727118 0.170836 0.109 Uiso 1 1 calc R U . . .
C77 C 0.4444(12) 0.7557(12) 0.0375(12) 0.091(4) Uani 1 1 d . U . . .
H77 H 0.489280 0.715332 0.036967 0.110 Uiso 1 1 calc R U . . .
C78 C 0.4356(12) 0.8125(11) -0.0409(12) 0.090(4) Uani 1 1 d . U . . .
H78 H 0.476812 0.811321 -0.096042 0.107 Uiso 1 1 calc R U . . .
C56 C 0.9666(11) 0.1471(10) 0.4702(13) 0.086(5) Uani 1 1 d . . . . .
H56 H 0.996105 0.152664 0.502427 0.103 Uiso 1 1 calc R U . . .
C4 C 0.9289(16) 0.6004(13) -0.0061(16) 0.156(13) Uani 1 1 d . . . . .
H4 H 0.922855 0.557258 0.048971 0.187 Uiso 1 1 calc R U . . .
C7 C 0.9490(15) 0.7067(13) -0.1721(15) 0.125(9) Uani 1 1 d . . . . .
H7 H 0.953090 0.743061 -0.229338 0.150 Uiso 1 1 calc R U . . .
C6 C 1.0189(16) 0.6616(13) -0.1609(18) 0.123(9) Uani 1 1 d . . . . .
H6 H 1.073909 0.666061 -0.210788 0.148 Uiso 1 1 calc R U . . .
C8 C 0.8659(15) 0.6981(13) -0.0930(14) 0.122(8) Uani 1 1 d . . . . .
H8 H 0.814842 0.728491 -0.099735 0.147 Uiso 1 1 calc R U . . .
C2 C 0.7698(13) 0.6404(11) 0.0791(12) 0.086(5) Uani 1 1 d . . . . .
H2A H 0.779227 0.600687 0.132058 0.103 Uiso 1 1 calc R U . . .
H2B H 0.759685 0.694620 0.082763 0.103 Uiso 1 1 calc R U . . .
C1 C 0.6946(11) 0.6161(9) 0.0786(10) 0.074(5) Uani 1 1 d . . . . .
H1A H 0.704986 0.560713 0.077918 0.089 Uiso 1 1 calc R U . . .
H1B H 0.689722 0.653659 0.022595 0.089 Uiso 1 1 calc R U . . .
C55 C 1.0048(13) 0.1013(14) 0.4194(17) 0.121(9) Uani 1 1 d . . . . .
H55 H 1.062349 0.078368 0.414241 0.146 Uiso 1 1 calc R U . . .
C15 C 0.3114(17) 1.1130(10) 0.0608(17) 0.118(8) Uani 1 1 d . . . . .
H15 H 0.329670 1.152367 0.001480 0.142 Uiso 1 1 calc R U . . .
C13 C 0.1944(14) 1.0413(18) 0.1989(18) 0.119(9) Uani 1 1 d . . . . .
H13 H 0.131576 1.030138 0.235616 0.143 Uiso 1 1 calc R U . . .
C73 C 0.2369(14) 0.9307(12) 0.0397(15) 0.125(7) Uani 1 1 d . U . . .
H73A H 0.196045 0.916662 0.020634 0.187 Uiso 1 1 calc R U . . .
H73B H 0.263113 0.986087 -0.000680 0.187 Uiso 1 1 calc R U . . .
H73C H 0.202890 0.928524 0.099732 0.187 Uiso 1 1 calc R U . . .
C5 C 1.0120(14) 0.6098(14) -0.0791(16) 0.120(9) Uani 1 1 d . . . . .
H5 H 1.062789 0.579937 -0.070985 0.144 Uiso 1 1 calc R U . . .
C14 C 0.2228(18) 1.0983(15) 0.112(2) 0.133(11) Uani 1 1 d . . . . .
H14 H 0.179483 1.126979 0.089513 0.159 Uiso 1 1 calc R U . . .
C43 C 0.674(2) 0.576(2) 0.815(2) 0.071(4) Uani 0.566(10) 1 d . U P A 1
C42 C 0.623(2) 0.4979(19) 0.827(2) 0.075(4) Uani 0.566(10) 1 d . U P A 1
H42A H 0.635551 0.447015 0.870623 0.090 Uiso 0.566(10) 1 calc R U P A 1
H42B H 0.556850 0.505303 0.850127 0.090 Uiso 0.566(10) 1 calc R U P A 1
C44 C 0.619(3) 0.640(2) 0.843(2) 0.077(4) Uani 0.566(10) 1 d . U P A 1
H44 H 0.554847 0.637104 0.865051 0.092 Uiso 0.566(10) 1 calc R U P A 1
C48 C 0.760(2) 0.5917(19) 0.775(2) 0.080(5) Uani 0.566(10) 1 d . U P A 1
H48 H 0.796800 0.552031 0.755543 0.096 Uiso 0.566(10) 1 calc R U P A 1
C45 C 0.661(2) 0.7015(19) 0.837(2) 0.078(4) Uani 0.566(10) 1 d . U P A 1
H45 H 0.625216 0.736346 0.864543 0.093 Uiso 0.566(10) 1 calc R U P A 1
C46 C 0.754(2) 0.719(2) 0.793(2) 0.088(6) Uani 0.566(10) 1 d . U P A 1
H46 H 0.781199 0.764830 0.786843 0.105 Uiso 0.566(10) 1 calc R U P A 1
C47 C 0.803(2) 0.662(2) 0.757(2) 0.087(6) Uani 0.566(10) 1 d . U P A 1
H47 H 0.866492 0.671886 0.721291 0.104 Uiso 0.566(10) 1 calc R U P A 1
C42A C 0.682(3) 0.496(2) 0.800(3) 0.072(5) Uani 0.434(10) 1 d . U P A 2
H42C H 0.687691 0.439566 0.841307 0.086 Uiso 0.434(10) 1 calc R U P A 2
H42D H 0.741838 0.523876 0.768413 0.086 Uiso 0.434(10) 1 calc R U P A 2
C43A C 0.621(3) 0.538(3) 0.851(3) 0.074(4) Uani 0.434(10) 1 d . U P A 2
C48A C 0.530(3) 0.507(3) 0.905(3) 0.082(6) Uani 0.434(10) 1 d . U P A 2
H48A H 0.512305 0.456684 0.909309 0.098 Uiso 0.434(10) 1 calc R U P A 2
C47A C 0.470(3) 0.548(3) 0.950(3) 0.087(7) Uani 0.434(10) 1 d . U P A 2
H47A H 0.411600 0.522049 0.989910 0.104 Uiso 0.434(10) 1 calc R U P A 2
C44A C 0.638(3) 0.608(3) 0.847(3) 0.079(4) Uani 0.434(10) 1 d . U P A 2
H44A H 0.697230 0.631845 0.810136 0.094 Uiso 0.434(10) 1 calc R U P A 2
C46A C 0.485(3) 0.627(3) 0.942(3) 0.084(6) Uani 0.434(10) 1 d . U P A 2
H46A H 0.437490 0.657376 0.967745 0.101 Uiso 0.434(10) 1 calc R U P A 2
C45A C 0.570(3) 0.654(3) 0.896(3) 0.078(5) Uani 0.434(10) 1 d . U P A 2
H45A H 0.588311 0.702484 0.895327 0.093 Uiso 0.434(10) 1 calc R U P A 2


_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
Au4 Au2 2.7953(4) 2_666 ?
Au4 Au2 2.7953(4) . ?
Au4 Au7 2.8011(4) 2_666 ?
Au4 Au7 2.8010(4) . ?
Au4 Au6 2.7944(4) 2_666 ?
Au4 Au6 2.7944(4) . ?
Au4 Au3 2.8107(4) . ?
Au4 Au3 2.8107(4) 2_666 ?
Au4 Au5 2.7759(4) 2_666 ?
Au4 Au5 2.7759(4) . ?
Au4 Au8 2.7819(4) 2_666 ?
Au4 Au8 2.7818(4) . ?
Au2 Au7 2.9760(6) . ?
Au2 Au6 2.9883(6) . ?
Au2 Au3 2.9232(5) . ?
Au2 Au5 2.8557(5) 2_666 ?
Au2 Au8 2.7803(5) 2_666 ?
Au2 Au11 3.2925(6) . ?
Au2 Au13 3.0574(5) . ?
Au2 Au1 3.1801(6) . ?
Au2 S9 2.379(2) . ?
Au7 Au6 2.8822(5) . ?
Au7 Au3 3.0383(6) 2_666 ?
Au7 Au5 2.7769(5) 2_666 ?
Au7 Au8 2.9793(5) . ?
Au7 Au11 3.1254(6) . ?
Au7 Au10 3.3330(6) . ?
Au7 Au9 3.1348(5) . ?
Au7 S6 2.370(3) . ?
Au6 Au3 2.7884(5) 2_666 ?
Au6 Au5 3.0924(5) . ?
Au6 Au8 3.0713(6) 2_666 ?
Au6 Au13 3.2813(6) . ?
Au6 Au10 3.0947(6) . ?
Au6 Au12 3.1634(6) . ?
Au6 S3 2.360(2) . ?
Au3 Au5 2.9017(6) 2_666 ?
Au3 Au8 2.9472(5) 2_666 ?
Au3 Au10 3.0961(5) 2_666 ?
Au3 Au1 3.2066(6) . ?
Au3 Au12 3.0987(5) 2_666 ?
Au3 S1 2.384(3) . ?
Au5 Au8 3.0717(6) 2_666 ?
Au5 Au11 3.2314(5) 2_666 ?
Au5 Au9 3.1041(6) 2_666 ?
Au5 Au12 3.1984(6) . ?
Au5 S5 2.360(3) . ?
Au8 Au13 3.1495(5) 2_666 ?
Au8 Au9 3.3218(6) . ?
Au8 Au1 3.0857(6) 2_666 ?
Au8 S7 2.364(3) . ?
Au11 S9 2.305(3) . ?
Au11 S8 2.305(3) . ?
Au13 S3 2.308(3) . ?
Au13 S2 2.311(3) . ?
Au10 S6 2.311(3) . ?
Au10 S4 2.307(3) . ?
Au9 S7 2.311(3) . ?
Au9 S8 2.307(3) . ?
Au1 S1 2.305(3) . ?
Au1 S2 2.295(3) . ?
Au12 S4 2.298(3) . ?
Au12 S5 2.298(3) . ?
S3 C17 1.843(11) . ?
S6 C41 1.824(14) . ?
S9 C65 1.839(11) . ?
S4 C25 1.846(9) . ?
S7 C49 1.848(11) . ?
S1 C1 1.811(14) . ?
S8 C64 1.842(11) . ?
S5 C33 1.885(11) . ?
S2 C9 1.829(12) . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 C50 1.516(14) . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 C66 1.524(14) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 C17 1.483(14) . ?
C18 C19 1.507(14) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 C51 1.501(16) . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 C26 1.516(14) . ?
C20 H20 0.9400 . ?
C20 C19 1.403(17) . ?
C20 C21 1.393(18) . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C41 H41D 0.9800 . ?
C41 C42 1.57(3) . ?
C41 C42A 1.45(4) . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 C34 1.457(16) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 C27 1.507(13) . ?
C58 C59 1.418(15) . ?
C58 C57 1.497(16) . ?
C58 C63 1.385(17) . ?
C51 C52 1.382(18) . ?
C51 C56 1.399(18) . ?
C19 C24 1.395(18) . ?
C27 C28 1.369(15) . ?
C27 C32 1.392(15) . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 C57 1.540(14) . ?
C28 H28 0.9400 . ?
C28 C29 1.386(16) . ?
C67 C66 1.502(17) . ?
C67 C68 1.379(18) . ?
C67 C72 1.406(18) . ?
C59 H59 0.9400 . ?
C59 C60 1.393(19) . ?
C61 H61 0.9400 . ?
C61 C62 1.347(19) . ?
C61 C60 1.358(19) . ?
C31 H31 0.9400 . ?
C31 C32 1.390(15) . ?
C31 C30 1.385(17) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C52 H52 0.9400 . ?
C52 C53 1.352(17) . ?
C32 H32 0.9400 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 C10 1.533(15) . ?
C79 H79 0.9400 . ?
C79 C74 1.36(2) . ?
C79 C78 1.36(2) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C63 H63 0.9400 . ?
C63 C62 1.391(19) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 C11 1.546(17) . ?
C24 H24 0.9400 . ?
C24 C23 1.41(2) . ?
C35 C34 1.541(17) . ?
C35 C36 1.362(17) . ?
C35 C40 1.416(18) . ?
C11 C12 1.367(19) . ?
C11 C16 1.38(2) . ?
C68 H68 0.9400 . ?
C68 C69 1.363(19) . ?
C62 H62 0.9400 . ?
C30 H30 0.9400 . ?
C30 C29 1.363(18) . ?
C29 H29 0.9400 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C60 H60 0.9400 . ?
C36 H36 0.9400 . ?
C36 C37 1.386(19) . ?
C38 H38 0.9400 . ?
C38 C39 1.363(19) . ?
C38 C37 1.359(19) . ?
C39 H39 0.9400 . ?
C39 C40 1.380(18) . ?
C53 H53 0.9400 . ?
C53 C54 1.35(2) . ?
C12 H12 0.9400 . ?
C12 C13 1.43(3) . ?
C69 H69 0.9400 . ?
C69 C70 1.36(2) . ?
C21 H21 0.9400 . ?
C21 C22 1.37(3) . ?
C70 H70 0.9400 . ?
C70 C71 1.38(2) . ?
C40 H40 0.9400 . ?
C71 H71 0.9400 . ?
C71 C72 1.37(2) . ?
C16 H16 0.9400 . ?
C16 C15 1.36(2) . ?
C22 H22 0.9400 . ?
C22 C23 1.37(3) . ?
C74 C75 1.41(2) . ?
C74 C73 1.40(2) . ?
C3 C4 1.29(3) . ?
C3 C8 1.38(3) . ?
C3 C2 1.60(2) . ?
C37 H37 0.9400 . ?
C54 H54 0.9400 . ?
C54 C55 1.34(3) . ?
C23 H23 0.9400 . ?
C72 H72 0.9400 . ?
C75 H75 0.9400 . ?
C75 C76 1.33(2) . ?
C76 H76 0.9400 . ?
C76 C77 1.40(2) . ?
C77 H77 0.9400 . ?
C77 C78 1.40(2) . ?
C78 H78 0.9400 . ?
C56 H56 0.9400 . ?
C56 C55 1.37(2) . ?
C4 H4 0.9400 . ?
C4 C5 1.39(2) . ?
C7 H7 0.9400 . ?
C7 C6 1.32(3) . ?
C7 C8 1.45(2) . ?
C6 H6 0.9400 . ?
C6 C5 1.34(3) . ?
C8 H8 0.9400 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 C1 1.36(2) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C55 H55 0.9400 . ?
C15 H15 0.9400 . ?
C15 C14 1.32(3) . ?
C13 H13 0.9400 . ?
C13 C14 1.37(3) . ?
C73 H73A 0.9700 . ?
C73 H73B 0.9700 . ?
C73 H73C 0.9700 . ?
C5 H5 0.9400 . ?
C14 H14 0.9400 . ?
C43 C42 1.63(5) . ?
C43 C44 1.46(4) . ?
C43 C48 1.26(4) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C44 H44 0.9400 . ?
C44 C45 1.32(4) . ?
C48 H48 0.9400 . ?
C48 C47 1.39(4) . ?
C45 H45 0.9400 . ?
C45 C46 1.37(4) . ?
C46 H46 0.9400 . ?
C46 C47 1.39(4) . ?
C47 H47 0.9400 . ?
C42A H42C 0.9800 . ?
C42A H42D 0.9800 . ?
C42A C43A 1.39(5) . ?
C43A C48A 1.41(6) . ?
C43A C44A 1.30(6) . ?
C48A H48A 0.9400 . ?
C48A C47A 1.32(5) . ?
C47A H47A 0.9400 . ?
C47A C46A 1.40(5) . ?
C44A H44A 0.9400 . ?
C44A C45A 1.47(5) . ?
C46A H46A 0.9400 . ?
C46A C45A 1.31(5) . ?
C45A H45A 0.9400 . ?

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
Au2 Au4 Au2 180.0 2_666 . ?
Au2 Au4 Au7 115.748(12) . 2_666 ?
Au2 Au4 Au7 115.747(12) 2_666 . ?
Au2 Au4 Au7 64.253(12) 2_666 2_666 ?
Au2 Au4 Au7 64.252(12) . . ?
Au2 Au4 Au3 117.144(11) 2_666 . ?
Au2 Au4 Au3 62.855(11) 2_666 2_666 ?
Au2 Au4 Au3 117.143(11) . 2_666 ?
Au2 Au4 Au3 62.857(11) . . ?
Au7 Au4 Au7 180.0 . 2_666 ?
Au7 Au4 Au3 114.441(12) 2_666 2_666 ?
Au7 Au4 Au3 65.559(12) 2_666 . ?
Au7 Au4 Au3 114.441(12) . . ?
Au7 Au4 Au3 65.559(12) . 2_666 ?
Au6 Au4 Au2 64.634(12) 2_666 2_666 ?
Au6 Au4 Au2 115.367(12) 2_666 . ?
Au6 Au4 Au2 64.634(12) . . ?
Au6 Au4 Au2 115.365(12) . 2_666 ?
Au6 Au4 Au7 117.992(11) 2_666 . ?
Au6 Au4 Au7 117.993(11) . 2_666 ?
Au6 Au4 Au7 62.008(11) . . ?
Au6 Au4 Au7 62.007(11) 2_666 2_666 ?
Au6 Au4 Au6 180.0 2_666 . ?
Au6 Au4 Au3 59.667(11) 2_666 . ?
Au6 Au4 Au3 120.333(11) 2_666 2_666 ?
Au6 Au4 Au3 120.334(11) . . ?
Au6 Au4 Au3 59.666(11) . 2_666 ?
Au3 Au4 Au3 180.000(16) . 2_666 ?
Au5 Au4 Au2 61.671(11) 2_666 . ?
Au5 Au4 Au2 118.329(11) . . ?
Au5 Au4 Au2 61.670(11) . 2_666 ?
Au5 Au4 Au2 118.329(11) 2_666 2_666 ?
Au5 Au4 Au7 120.276(12) . . ?
Au5 Au4 Au7 59.724(12) . 2_666 ?
Au5 Au4 Au7 59.724(12) 2_666 . ?
Au5 Au4 Au7 120.275(12) 2_666 2_666 ?
Au5 Au4 Au6 112.559(11) 2_666 . ?
Au5 Au4 Au6 67.442(11) . . ?
Au5 Au4 Au6 112.557(11) . 2_666 ?
Au5 Au4 Au6 67.442(11) 2_666 2_666 ?
Au5 Au4 Au3 117.418(12) 2_666 2_666 ?
Au5 Au4 Au3 117.418(12) . . ?
Au5 Au4 Au3 62.582(12) 2_666 . ?
Au5 Au4 Au3 62.582(12) . 2_666 ?
Au5 Au4 Au5 180.0 2_666 . ?
Au5 Au4 Au8 112.898(12) 2_666 2_666 ?
Au5 Au4 Au8 67.102(12) . 2_666 ?
Au5 Au4 Au8 112.898(12) . . ?
Au5 Au4 Au8 67.102(12) 2_666 . ?
Au8 Au4 Au2 59.802(12) 2_666 . ?
Au8 Au4 Au2 59.801(12) . 2_666 ?
Au8 Au4 Au2 120.199(12) 2_666 2_666 ?
Au8 Au4 Au2 120.198(11) . . ?
Au8 Au4 Au7 115.495(11) . 2_666 ?
Au8 Au4 Au7 64.504(12) . . ?
Au8 Au4 Au7 64.504(11) 2_666 2_666 ?
Au8 Au4 Au7 115.497(12) 2_666 . ?
Au8 Au4 Au6 113.160(12) 2_666 2_666 ?
Au8 Au4 Au6 66.840(12) . 2_666 ?
Au8 Au4 Au6 113.160(12) . . ?
Au8 Au4 Au6 66.840(12) 2_666 . ?
Au8 Au4 Au3 116.400(12) 2_666 2_666 ?
Au8 Au4 Au3 63.601(12) 2_666 . ?
Au8 Au4 Au3 63.601(12) . 2_666 ?
Au8 Au4 Au3 116.399(12) . . ?
Au8 Au4 Au8 179.999(14) . 2_666 ?
Au4 Au2 Au7 57.967(11) . . ?
Au4 Au2 Au6 57.668(10) . . ?
Au4 Au2 Au3 58.828(11) . . ?
Au4 Au2 Au5 58.829(11) . 2_666 ?
Au4 Au2 Au11 110.163(14) . . ?
Au4 Au2 Au13 112.823(15) . . ?
Au4 Au2 Au1 110.931(14) . . ?
Au7 Au2 Au6 57.794(13) . . ?
Au7 Au2 Au11 59.559(13) . . ?
Au7 Au2 Au13 115.783(16) . . ?
Au7 Au2 Au1 168.602(16) . . ?
Au6 Au2 Au11 108.452(16) . . ?
Au6 Au2 Au13 65.730(13) . . ?
Au6 Au2 Au1 120.179(16) . . ?
Au3 Au2 Au7 106.215(15) . . ?
Au3 Au2 Au6 110.671(16) . . ?
Au3 Au2 Au11 116.788(15) . . ?
Au3 Au2 Au13 120.734(17) . . ?
Au3 Au2 Au1 63.224(13) . . ?
Au5 Au2 Au7 56.826(13) 2_666 . ?
Au5 Au2 Au6 104.873(16) 2_666 . ?
Au5 Au2 Au3 60.267(13) 2_666 . ?
Au5 Au2 Au11 62.947(13) 2_666 . ?
Au5 Au2 Au13 170.533(18) 2_666 . ?
Au5 Au2 Au1 116.586(16) 2_666 . ?
Au8 Au2 Au4 59.858(11) 2_666 . ?
Au8 Au2 Au7 110.170(16) 2_666 . ?
Au8 Au2 Au6 64.219(14) 2_666 . ?
Au8 Au2 Au3 62.166(13) 2_666 . ?
Au8 Au2 Au5 110.528(16) 2_666 2_666 ?
Au8 Au2 Au11 169.513(18) 2_666 . ?
Au8 Au2 Au13 65.101(13) 2_666 . ?
Au8 Au2 Au1 61.928(14) 2_666 . ?
Au13 Au2 Au11 119.950(15) . . ?
Au13 Au2 Au1 69.558(14) . . ?
Au1 Au2 Au11 127.838(16) . . ?
S9 Au2 Au4 153.52(7) . . ?
S9 Au2 Au7 96.36(7) . . ?
S9 Au2 Au6 116.60(6) . . ?
S9 Au2 Au3 132.63(6) . . ?
S9 Au2 Au5 103.28(6) . 2_666 ?
S9 Au2 Au8 144.73(6) . 2_666 ?
S9 Au2 Au11 44.43(6) . . ?
S9 Au2 Au13 82.82(6) . . ?
S9 Au2 Au1 94.30(7) . . ?
Au4 Au7 Au2 57.781(11) . . ?
Au4 Au7 Au6 58.883(11) . . ?
Au4 Au7 Au3 57.373(11) . 2_666 ?
Au4 Au7 Au8 57.435(10) . . ?
Au4 Au7 Au11 114.947(16) . . ?
Au4 Au7 Au10 106.962(14) . . ?
Au4 Au7 Au9 111.241(14) . . ?
Au2 Au7 Au3 105.375(15) . 2_666 ?
Au2 Au7 Au8 108.552(16) . . ?
Au2 Au7 Au11 65.261(14) . . ?
Au2 Au7 Au10 115.238(15) . . ?
Au2 Au7 Au9 116.323(16) . . ?
Au6 Au7 Au2 61.316(13) . . ?
Au6 Au7 Au3 56.122(13) . 2_666 ?
Au6 Au7 Au8 105.116(16) . . ?
Au6 Au7 Au11 116.087(17) . . ?
Au6 Au7 Au10 59.195(13) . . ?
Au6 Au7 Au9 169.945(17) . . ?
Au3 Au7 Au11 170.624(18) 2_666 . ?
Au3 Au7 Au10 57.926(12) 2_666 . ?
Au3 Au7 Au9 118.166(16) 2_666 . ?
Au5 Au7 Au4 59.687(11) 2_666 . ?
Au5 Au7 Au2 59.403(14) 2_666 . ?
Au5 Au7 Au6 109.895(17) 2_666 . ?
Au5 Au7 Au3 110.280(16) 2_666 2_666 ?
Au5 Au7 Au8 64.388(14) 2_666 . ?
Au5 Au7 Au11 66.084(14) 2_666 . ?
Au5 Au7 Au10 166.645(17) 2_666 . ?
Au5 Au7 Au9 63.003(13) 2_666 . ?
Au8 Au7 Au3 58.639(12) . 2_666 ?
Au8 Au7 Au11 123.425(16) . . ?
Au8 Au7 Au10 109.256(16) . . ?
Au8 Au7 Au9 65.760(13) . . ?
Au11 Au7 Au10 124.435(15) . . ?
Au11 Au7 Au9 68.636(13) . . ?
Au9 Au7 Au10 126.602(17) . . ?
S6 Au7 Au4 150.69(7) . . ?
S6 Au7 Au2 129.83(7) . . ?
S6 Au7 Au6 97.85(6) . . ?
S6 Au7 Au3 95.67(7) . 2_666 ?
S6 Au7 Au5 149.37(7) . 2_666 ?
S6 Au7 Au8 121.23(7) . . ?
S6 Au7 Au11 90.52(7) . . ?
S6 Au7 Au10 43.90(7) . . ?
S6 Au7 Au9 90.84(6) . . ?
Au4 Au6 Au2 57.698(10) . . ?
Au4 Au6 Au7 59.109(10) . . ?
Au4 Au6 Au5 55.993(10) . . ?
Au4 Au6 Au8 56.384(10) . 2_666 ?
Au4 Au6 Au13 106.526(15) . . ?
Au4 Au6 Au10 113.935(14) . . ?
Au4 Au6 Au12 109.921(14) . . ?
Au2 Au6 Au5 103.745(15) . . ?
Au2 Au6 Au8 54.602(13) . 2_666 ?
Au2 Au6 Au13 58.149(13) . . ?
Au2 Au6 Au10 122.429(17) . . ?
Au2 Au6 Au12 165.219(17) . . ?
Au7 Au6 Au2 60.890(14) . . ?
Au7 Au6 Au5 108.044(15) . . ?
Au7 Au6 Au8 104.902(15) . 2_666 ?
Au7 Au6 Au13 111.871(16) . . ?
Au7 Au6 Au10 67.680(14) . . ?
Au7 Au6 Au12 121.936(18) . . ?
Au3 Au6 Au4 60.457(11) 2_666 . ?
Au3 Au6 Au2 111.758(15) 2_666 . ?
Au3 Au6 Au7 64.770(14) 2_666 . ?
Au3 Au6 Au5 58.861(13) 2_666 . ?
Au3 Au6 Au8 108.319(16) 2_666 2_666 ?
Au3 Au6 Au13 166.771(17) 2_666 . ?
Au3 Au6 Au10 63.255(14) 2_666 . ?
Au3 Au6 Au12 62.373(13) 2_666 . ?
Au5 Au6 Au13 113.027(16) . . ?
Au5 Au6 Au10 115.519(16) . . ?
Au5 Au6 Au12 61.485(13) . . ?
Au8 Au6 Au5 59.781(13) 2_666 . ?
Au8 Au6 Au13 59.335(12) 2_666 . ?
Au8 Au6 Au10 170.301(16) 2_666 . ?
Au8 Au6 Au12 112.804(17) 2_666 . ?
Au10 Au6 Au13 128.526(15) . . ?
Au10 Au6 Au12 68.503(15) . . ?
Au12 Au6 Au13 124.947(16) . . ?
S3 Au6 Au4 150.13(7) . . ?
S3 Au6 Au2 99.99(7) . . ?
S3 Au6 Au7 130.96(6) . . ?
S3 Au6 Au3 147.56(7) . 2_666 ?
S3 Au6 Au5 120.66(6) . . ?
S3 Au6 Au8 95.15(7) . 2_666 ?
S3 Au6 Au13 44.69(7) . . ?
S3 Au6 Au10 94.50(7) . . ?
S3 Au6 Au12 88.26(7) . . ?
Au4 Au3 Au2 58.315(11) . . ?
Au4 Au3 Au7 57.069(10) . 2_666 ?
Au4 Au3 Au5 58.121(11) . 2_666 ?
Au4 Au3 Au8 57.723(11) . 2_666 ?
Au4 Au3 Au10 113.420(15) . 2_666 ?
Au4 Au3 Au1 109.766(14) . . ?
Au4 Au3 Au12 111.338(15) . 2_666 ?
Au2 Au3 Au7 105.300(15) . 2_666 ?
Au2 Au3 Au8 56.536(13) . 2_666 ?
Au2 Au3 Au10 170.989(18) . 2_666 ?
Au2 Au3 Au1 62.299(13) . . ?
Au2 Au3 Au12 116.004(17) . 2_666 ?
Au7 Au3 Au10 65.815(13) 2_666 2_666 ?
Au7 Au3 Au1 111.718(16) 2_666 . ?
Au7 Au3 Au12 118.996(16) 2_666 2_666 ?
Au6 Au3 Au4 59.876(11) 2_666 . ?
Au6 Au3 Au2 111.576(18) 2_666 . ?
Au6 Au3 Au7 59.108(13) 2_666 2_666 ?
Au6 Au3 Au5 65.803(14) 2_666 2_666 ?
Au6 Au3 Au8 108.447(17) 2_666 2_666 ?
Au6 Au3 Au10 63.205(14) 2_666 2_666 ?
Au6 Au3 Au1 168.421(17) 2_666 . ?
Au6 Au3 Au12 64.757(14) 2_666 2_666 ?
Au5 Au3 Au2 58.713(13) 2_666 . ?
Au5 Au3 Au7 109.001(17) 2_666 2_666 ?
Au5 Au3 Au8 104.726(16) 2_666 2_666 ?
Au5 Au3 Au10 121.469(16) 2_666 2_666 ?
Au5 Au3 Au1 114.422(16) 2_666 . ?
Au5 Au3 Au12 64.322(14) 2_666 2_666 ?
Au8 Au3 Au7 59.682(13) 2_666 2_666 ?
Au8 Au3 Au10 116.927(17) 2_666 2_666 ?
Au8 Au3 Au1 60.014(13) 2_666 . ?
Au8 Au3 Au12 168.512(19) 2_666 2_666 ?
Au10 Au3 Au1 121.348(17) 2_666 . ?
Au10 Au3 Au12 69.314(13) 2_666 2_666 ?
Au12 Au3 Au1 126.407(17) 2_666 . ?
S1 Au3 Au4 150.68(7) . . ?
S1 Au3 Au2 106.75(7) . . ?
S1 Au3 Au7 111.29(8) . 2_666 ?
S1 Au3 Au6 141.67(7) . 2_666 ?
S1 Au3 Au5 139.60(8) . 2_666 ?
S1 Au3 Au8 92.97(7) . 2_666 ?
S1 Au3 Au10 78.88(7) . 2_666 ?
S1 Au3 Au1 45.84(6) . . ?
S1 Au3 Au12 97.84(7) . 2_666 ?
Au4 Au5 Au2 59.500(10) . 2_666 ?
Au4 Au5 Au7 60.590(11) . 2_666 ?
Au4 Au5 Au6 56.565(10) . . ?
Au4 Au5 Au3 59.297(11) . 2_666 ?
Au4 Au5 Au8 56.542(10) . 2_666 ?
Au4 Au5 Au11 112.451(14) . 2_666 ?
Au4 Au5 Au9 112.862(16) . 2_666 ?
Au4 Au5 Au12 109.423(14) . . ?
Au2 Au5 Au6 105.088(16) 2_666 . ?
Au2 Au5 Au3 61.017(13) 2_666 2_666 ?
Au2 Au5 Au8 109.255(15) 2_666 2_666 ?
Au2 Au5 Au11 65.148(13) 2_666 2_666 ?
Au2 Au5 Au9 121.141(16) 2_666 2_666 ?
Au2 Au5 Au12 114.946(17) 2_666 . ?
Au7 Au5 Au2 63.773(14) 2_666 2_666 ?
Au7 Au5 Au6 109.484(16) 2_666 . ?
Au7 Au5 Au3 112.356(16) 2_666 2_666 ?
Au7 Au5 Au8 61.003(14) 2_666 2_666 ?
Au7 Au5 Au11 62.145(13) 2_666 2_666 ?
Au7 Au5 Au9 64.140(14) 2_666 2_666 ?
Au7 Au5 Au12 169.581(18) 2_666 . ?
Au6 Au5 Au11 168.904(16) . 2_666 ?
Au6 Au5 Au9 116.492(16) . 2_666 ?
Au6 Au5 Au12 60.352(12) . . ?
Au3 Au5 Au6 55.336(13) 2_666 . ?
Au3 Au5 Au8 105.409(16) 2_666 2_666 ?
Au3 Au5 Au11 119.371(16) 2_666 2_666 ?
Au3 Au5 Au9 170.481(18) 2_666 2_666 ?
Au3 Au5 Au12 60.826(13) 2_666 . ?
Au8 Au5 Au6 59.769(13) 2_666 . ?
Au8 Au5 Au11 117.043(17) 2_666 2_666 ?
Au8 Au5 Au9 65.077(14) 2_666 2_666 ?
Au8 Au5 Au12 111.830(16) 2_666 . ?
Au9 Au5 Au11 67.674(13) 2_666 2_666 ?
Au9 Au5 Au12 121.168(16) 2_666 . ?
Au12 Au5 Au11 127.560(16) . 2_666 ?
S5 Au5 Au4 150.82(7) . . ?
S5 Au5 Au2 138.21(8) . 2_666 ?
S5 Au5 Au7 142.38(7) . 2_666 ?
S5 Au5 Au6 94.28(7) . . ?
S5 Au5 Au3 105.10(8) . 2_666 ?
S5 Au5 Au8 112.50(8) . 2_666 ?
S5 Au5 Au11 96.65(7) . 2_666 ?
S5 Au5 Au9 79.38(8) . 2_666 ?
S5 Au5 Au12 45.84(7) . . ?
Au4 Au8 Au7 58.060(11) . . ?
Au4 Au8 Au6 56.775(11) . 2_666 ?
Au4 Au8 Au3 58.677(11) . 2_666 ?
Au4 Au8 Au5 56.356(11) . 2_666 ?
Au4 Au8 Au13 110.489(15) . 2_666 ?
Au4 Au8 Au9 106.543(14) . . ?
Au4 Au8 Au1 114.127(15) . 2_666 ?
Au2 Au8 Au4 60.340(11) 2_666 . ?
Au2 Au8 Au7 110.702(16) 2_666 . ?
Au2 Au8 Au6 61.180(14) 2_666 2_666 ?
Au2 Au8 Au3 61.296(13) 2_666 2_666 ?
Au2 Au8 Au5 109.563(17) 2_666 2_666 ?
Au2 Au8 Au13 61.705(13) 2_666 2_666 ?
Au2 Au8 Au9 166.712(18) 2_666 . ?
Au2 Au8 Au1 65.413(14) 2_666 2_666 ?
Au7 Au8 Au6 104.859(16) . 2_666 ?
Au7 Au8 Au5 54.609(12) . 2_666 ?
Au7 Au8 Au13 168.034(18) . 2_666 ?
Au7 Au8 Au9 59.373(12) . . ?
Au7 Au8 Au1 116.924(17) . 2_666 ?
Au6 Au8 Au5 60.451(13) 2_666 2_666 ?
Au6 Au8 Au13 63.655(13) 2_666 2_666 ?
Au6 Au8 Au9 110.946(16) 2_666 . ?
Au6 Au8 Au1 120.578(17) 2_666 2_666 ?
Au3 Au8 Au7 61.680(13) 2_666 . ?
Au3 Au8 Au6 107.765(15) 2_666 2_666 ?
Au3 Au8 Au5 104.949(15) 2_666 2_666 ?
Au3 Au8 Au13 116.980(16) 2_666 2_666 ?
Au3 Au8 Au9 115.177(15) 2_666 . ?
Au3 Au8 Au1 64.168(13) 2_666 2_666 ?
Au5 Au8 Au13 117.429(17) 2_666 2_666 ?
Au5 Au8 Au9 57.932(13) 2_666 . ?
Au5 Au8 Au1 169.093(17) 2_666 2_666 ?
Au13 Au8 Au9 126.280(15) 2_666 . ?
Au1 Au8 Au13 69.607(14) 2_666 2_666 ?
Au1 Au8 Au9 125.968(17) 2_666 . ?
S7 Au8 Au4 148.96(7) . . ?
S7 Au8 Au2 148.07(7) . 2_666 ?
S7 Au8 Au7 100.62(6) . . ?
S7 Au8 Au6 117.15(7) . 2_666 ?
S7 Au8 Au3 134.83(7) . 2_666 ?
S7 Au8 Au5 93.34(7) . 2_666 ?
S7 Au8 Au13 88.31(6) . 2_666 ?
S7 Au8 Au9 44.08(6) . . ?
S7 Au8 Au1 95.26(7) . 2_666 ?
Au7 Au11 Au2 55.180(12) . . ?
Au7 Au11 Au5 51.771(12) . 2_666 ?
Au5 Au11 Au2 51.907(11) 2_666 . ?
S9 Au11 Au2 46.25(6) . . ?
S9 Au11 Au7 93.99(6) . . ?
S9 Au11 Au5 94.54(6) . 2_666 ?
S8 Au11 Au2 139.03(7) . . ?
S8 Au11 Au7 91.17(7) . . ?
S8 Au11 Au5 89.97(6) . 2_666 ?
S8 Au11 S9 174.57(9) . . ?
Au2 Au13 Au6 56.121(12) . . ?
Au2 Au13 Au8 53.196(12) . 2_666 ?
Au8 Au13 Au6 57.012(12) 2_666 . ?
S3 Au13 Au2 99.28(6) . . ?
S3 Au13 Au6 45.99(6) . . ?
S3 Au13 Au8 94.18(6) . 2_666 ?
S3 Au13 S2 172.64(9) . . ?
S2 Au13 Au2 87.95(7) . . ?
S2 Au13 Au6 141.28(7) . . ?
S2 Au13 Au8 91.28(7) . 2_666 ?
Au6 Au10 Au7 53.125(12) . . ?
Au6 Au10 Au3 53.542(12) . 2_666 ?
Au3 Au10 Au7 56.258(12) 2_666 . ?
S6 Au10 Au7 45.31(6) . . ?
S6 Au10 Au6 93.48(7) . . ?
S6 Au10 Au3 95.38(6) . 2_666 ?
S4 Au10 Au7 140.69(7) . . ?
S4 Au10 Au6 93.59(7) . . ?
S4 Au10 Au3 88.32(6) . 2_666 ?
S4 Au10 S6 172.90(10) . . ?
Au7 Au9 Au8 54.867(12) . . ?
Au5 Au9 Au7 52.857(12) 2_666 . ?
Au5 Au9 Au8 56.990(12) 2_666 . ?
S7 Au9 Au7 97.50(6) . . ?
S7 Au9 Au5 93.57(7) . 2_666 ?
S7 Au9 Au8 45.36(6) . . ?
S8 Au9 Au7 90.90(6) . . ?
S8 Au9 Au5 93.16(7) . 2_666 ?
S8 Au9 Au8 143.25(7) . . ?
S8 Au9 S7 171.35(9) . . ?
Au2 Au1 Au3 54.477(12) . . ?
Au8 Au1 Au2 52.657(12) 2_666 . ?
Au8 Au1 Au3 55.818(12) 2_666 . ?
S1 Au1 Au2 101.09(7) . . ?
S1 Au1 Au3 47.90(7) . . ?
S1 Au1 Au8 91.06(7) . 2_666 ?
S2 Au1 Au2 85.29(7) . . ?
S2 Au1 Au3 138.42(8) . . ?
S2 Au1 Au8 93.22(8) . 2_666 ?
S2 Au1 S1 173.60(10) . . ?
Au6 Au12 Au5 58.163(12) . . ?
Au3 Au12 Au6 52.871(12) 2_666 . ?
Au3 Au12 Au5 54.851(12) 2_666 . ?
S4 Au12 Au6 91.98(7) . . ?
S4 Au12 Au3 88.41(7) . 2_666 ?
S4 Au12 Au5 141.49(7) . . ?
S5 Au12 Au6 93.68(7) . . ?
S5 Au12 Au3 100.82(6) . 2_666 ?
S5 Au12 Au5 47.45(6) . . ?
S5 Au12 S4 170.77(9) . . ?
Au13 S3 Au6 89.32(8) . . ?
C17 S3 Au6 110.6(4) . . ?
C17 S3 Au13 106.9(4) . . ?
Au10 S6 Au7 90.79(9) . . ?
C41 S6 Au7 103.8(4) . . ?
C41 S6 Au10 103.1(5) . . ?
Au11 S9 Au2 89.32(8) . . ?
C65 S9 Au2 107.9(3) . . ?
C65 S9 Au11 105.9(4) . . ?
Au12 S4 Au10 99.80(10) . . ?
C25 S4 Au10 107.8(3) . . ?
C25 S4 Au12 102.6(4) . . ?
Au9 S7 Au8 90.56(9) . . ?
C49 S7 Au8 102.6(4) . . ?
C49 S7 Au9 103.5(4) . . ?
Au1 S1 Au3 86.27(10) . . ?
C1 S1 Au3 116.7(6) . . ?
C1 S1 Au1 111.2(5) . . ?
Au11 S8 Au9 99.86(10) . . ?
C64 S8 Au11 105.8(4) . . ?
C64 S8 Au9 105.8(3) . . ?
Au12 S5 Au5 86.71(9) . . ?
C33 S5 Au5 107.4(4) . . ?
C33 S5 Au12 106.7(4) . . ?
Au1 S2 Au13 101.23(10) . . ?
C9 S2 Au13 105.2(4) . . ?
C9 S2 Au1 103.6(4) . . ?
S7 C49 H49A 109.0 . . ?
S7 C49 H49B 109.0 . . ?
H49A C49 H49B 107.8 . . ?
C50 C49 S7 112.9(8) . . ?
C50 C49 H49A 109.0 . . ?
C50 C49 H49B 109.0 . . ?
S9 C65 H65A 109.3 . . ?
S9 C65 H65B 109.3 . . ?
H65A C65 H65B 108.0 . . ?
C66 C65 S9 111.6(8) . . ?
C66 C65 H65A 109.3 . . ?
C66 C65 H65B 109.3 . . ?
H18A C18 H18B 108.2 . . ?
C17 C18 H18A 109.7 . . ?
C17 C18 H18B 109.7 . . ?
C17 C18 C19 109.8(9) . . ?
C19 C18 H18A 109.7 . . ?
C19 C18 H18B 109.7 . . ?
S3 C17 H17A 107.4 . . ?
S3 C17 H17B 107.4 . . ?
C18 C17 S3 119.5(7) . . ?
C18 C17 H17A 107.4 . . ?
C18 C17 H17B 107.4 . . ?
H17A C17 H17B 107.0 . . ?
C49 C50 H50A 109.0 . . ?
C49 C50 H50B 109.0 . . ?
H50A C50 H50B 107.8 . . ?
C51 C50 C49 112.9(10) . . ?
C51 C50 H50A 109.0 . . ?
C51 C50 H50B 109.0 . . ?
S4 C25 H25A 109.5 . . ?
S4 C25 H25B 109.5 . . ?
H25A C25 H25B 108.0 . . ?
C26 C25 S4 110.9(8) . . ?
C26 C25 H25A 109.5 . . ?
C26 C25 H25B 109.5 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C21 C20 C19 120.0(16) . . ?
S6 C41 H41A 110.1 . . ?
S6 C41 H41B 110.1 . . ?
S6 C41 H41C 108.2 . . ?
S6 C41 H41D 108.2 . . ?
H41A C41 H41B 108.4 . . ?
H41C C41 H41D 107.4 . . ?
C42 C41 S6 108.0(13) . . ?
C42 C41 H41A 110.1 . . ?
C42 C41 H41B 110.1 . . ?
C42A C41 S6 116.3(18) . . ?
C42A C41 H41C 108.2 . . ?
C42A C41 H41D 108.2 . . ?
S5 C33 H33A 110.0 . . ?
S5 C33 H33B 110.0 . . ?
H33A C33 H33B 108.4 . . ?
C34 C33 S5 108.3(9) . . ?
C34 C33 H33A 110.0 . . ?
C34 C33 H33B 110.0 . . ?
C25 C26 H26A 109.3 . . ?
C25 C26 H26B 109.3 . . ?
H26A C26 H26B 108.0 . . ?
C27 C26 C25 111.5(9) . . ?
C27 C26 H26A 109.3 . . ?
C27 C26 H26B 109.3 . . ?
C59 C58 C57 120.1(11) . . ?
C63 C58 C59 118.2(11) . . ?
C63 C58 C57 121.7(11) . . ?
C52 C51 C50 126.5(11) . . ?
C52 C51 C56 117.5(12) . . ?
C56 C51 C50 115.9(13) . . ?
C20 C19 C18 119.1(12) . . ?
C24 C19 C18 120.4(11) . . ?
C24 C19 C20 120.4(11) . . ?
C28 C27 C26 122.1(10) . . ?
C28 C27 C32 117.2(10) . . ?
C32 C27 C26 120.7(10) . . ?
S8 C64 H64A 109.4 . . ?
S8 C64 H64B 109.4 . . ?
H64A C64 H64B 108.0 . . ?
C57 C64 S8 111.3(8) . . ?
C57 C64 H64A 109.4 . . ?
C57 C64 H64B 109.4 . . ?
C27 C28 H28 119.0 . . ?
C27 C28 C29 122.1(11) . . ?
C29 C28 H28 119.0 . . ?
C68 C67 C66 120.7(12) . . ?
C68 C67 C72 117.3(12) . . ?
C72 C67 C66 121.7(13) . . ?
C58 C59 H59 120.5 . . ?
C60 C59 C58 118.9(12) . . ?
C60 C59 H59 120.5 . . ?
C62 C61 H61 120.6 . . ?
C62 C61 C60 118.8(13) . . ?
C60 C61 H61 120.6 . . ?
C32 C31 H31 120.5 . . ?
C30 C31 H31 120.5 . . ?
C30 C31 C32 119.0(11) . . ?
C65 C66 H66A 109.3 . . ?
C65 C66 H66B 109.3 . . ?
C67 C66 C65 111.5(11) . . ?
C67 C66 H66A 109.3 . . ?
C67 C66 H66B 109.3 . . ?
H66A C66 H66B 108.0 . . ?
C51 C52 H52 119.7 . . ?
C53 C52 C51 120.6(13) . . ?
C53 C52 H52 119.7 . . ?
C27 C32 H32 119.2 . . ?
C31 C32 C27 121.7(11) . . ?
C31 C32 H32 119.2 . . ?
S2 C9 H9A 109.4 . . ?
S2 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 S2 111.2(9) . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C74 C79 H79 119.2 . . ?
C74 C79 C78 121.6(17) . . ?
C78 C79 H79 119.2 . . ?
C58 C57 C64 116.4(9) . . ?
C58 C57 H57A 108.2 . . ?
C58 C57 H57B 108.2 . . ?
C64 C57 H57A 108.2 . . ?
C64 C57 H57B 108.2 . . ?
H57A C57 H57B 107.3 . . ?
C58 C63 H63 120.2 . . ?
C58 C63 C62 119.6(12) . . ?
C62 C63 H63 120.2 . . ?
C9 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
C9 C10 C11 109.9(11) . . ?
H10A C10 H10B 108.2 . . ?
C11 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
C19 C24 H24 120.5 . . ?
C19 C24 C23 119.1(15) . . ?
C23 C24 H24 120.5 . . ?
C36 C35 C34 118.3(12) . . ?
C36 C35 C40 120.7(12) . . ?
C40 C35 C34 121.0(12) . . ?
C12 C11 C10 118.6(14) . . ?
C12 C11 C16 119.8(14) . . ?
C16 C11 C10 121.6(14) . . ?
C67 C68 H68 119.7 . . ?
C69 C68 C67 120.5(14) . . ?
C69 C68 H68 119.7 . . ?
C61 C62 C63 122.5(13) . . ?
C61 C62 H62 118.8 . . ?
C63 C62 H62 118.8 . . ?
C31 C30 H30 119.9 . . ?
C29 C30 C31 120.1(11) . . ?
C29 C30 H30 119.9 . . ?
C28 C29 H29 120.1 . . ?
C30 C29 C28 119.9(11) . . ?
C30 C29 H29 120.1 . . ?
C33 C34 C35 109.7(12) . . ?
C33 C34 H34A 109.7 . . ?
C33 C34 H34B 109.7 . . ?
C35 C34 H34A 109.7 . . ?
C35 C34 H34B 109.7 . . ?
H34A C34 H34B 108.2 . . ?
C59 C60 H60 119.0 . . ?
C61 C60 C59 122.0(12) . . ?
C61 C60 H60 119.0 . . ?
C35 C36 H36 120.9 . . ?
C35 C36 C37 118.2(13) . . ?
C37 C36 H36 120.9 . . ?
C39 C38 H38 119.8 . . ?
C37 C38 H38 119.8 . . ?
C37 C38 C39 120.3(14) . . ?
C38 C39 H39 120.0 . . ?
C38 C39 C40 120.1(14) . . ?
C40 C39 H39 120.0 . . ?
C52 C53 H53 119.4 . . ?
C52 C53 C54 121.2(18) . . ?
C54 C53 H53 119.4 . . ?
C11 C12 H12 120.6 . . ?
C11 C12 C13 118.7(18) . . ?
C13 C12 H12 120.6 . . ?
C68 C69 H69 118.4 . . ?
C70 C69 C68 123.2(16) . . ?
C70 C69 H69 118.4 . . ?
C20 C21 H21 120.9 . . ?
C22 C21 C20 118.2(16) . . ?
C22 C21 H21 120.9 . . ?
C69 C70 H70 121.5 . . ?
C69 C70 C71 117.1(15) . . ?
C71 C70 H70 121.5 . . ?
C35 C40 H40 120.6 . . ?
C39 C40 C35 118.8(13) . . ?
C39 C40 H40 120.6 . . ?
C70 C71 H71 119.2 . . ?
C72 C71 C70 121.6(15) . . ?
C72 C71 H71 119.2 . . ?
C11 C16 H16 120.2 . . ?
C15 C16 C11 120(2) . . ?
C15 C16 H16 120.2 . . ?
C21 C22 H22 118.3 . . ?
C23 C22 C21 123.4(14) . . ?
C23 C22 H22 118.3 . . ?
C79 C74 C75 117.3(17) . . ?
C79 C74 C73 120.6(19) . . ?
C73 C74 C75 122.1(18) . . ?
C4 C3 C8 115(2) . . ?
C4 C3 C2 123(2) . . ?
C8 C3 C2 122.2(19) . . ?
C36 C37 H37 119.1 . . ?
C38 C37 C36 121.8(14) . . ?
C38 C37 H37 119.1 . . ?
C53 C54 H54 120.1 . . ?
C55 C54 C53 119.8(17) . . ?
C55 C54 H54 120.1 . . ?
C24 C23 H23 120.6 . . ?
C22 C23 C24 118.8(17) . . ?
C22 C23 H23 120.6 . . ?
C67 C72 H72 119.9 . . ?
C71 C72 C67 120.3(15) . . ?
C71 C72 H72 119.9 . . ?
C74 C75 H75 119.3 . . ?
C76 C75 C74 121.4(18) . . ?
C76 C75 H75 119.3 . . ?
C75 C76 H76 118.8 . . ?
C75 C76 C77 122.3(19) . . ?
C77 C76 H76 118.8 . . ?
C76 C77 H77 122.2 . . ?
C76 C77 C78 115.6(18) . . ?
C78 C77 H77 122.2 . . ?
C79 C78 C77 121.7(18) . . ?
C79 C78 H78 119.2 . . ?
C77 C78 H78 119.2 . . ?
C51 C56 H56 120.1 . . ?
C55 C56 C51 119.8(17) . . ?
C55 C56 H56 120.1 . . ?
C3 C4 H4 117.6 . . ?
C3 C4 C5 125(3) . . ?
C5 C4 H4 117.6 . . ?
C6 C7 H7 121.1 . . ?
C6 C7 C8 118(2) . . ?
C8 C7 H7 121.1 . . ?
C7 C6 H6 119.8 . . ?
C7 C6 C5 120(2) . . ?
C5 C6 H6 119.8 . . ?
C3 C8 C7 122(2) . . ?
C3 C8 H8 119.0 . . ?
C7 C8 H8 119.0 . . ?
C3 C2 H2A 109.3 . . ?
C3 C2 H2B 109.3 . . ?
H2A C2 H2B 108.0 . . ?
C1 C2 C3 111.6(15) . . ?
C1 C2 H2A 109.3 . . ?
C1 C2 H2B 109.3 . . ?
S1 C1 H1A 107.9 . . ?
S1 C1 H1B 107.9 . . ?
C2 C1 S1 117.5(13) . . ?
C2 C1 H1A 107.9 . . ?
C2 C1 H1B 107.9 . . ?
H1A C1 H1B 107.2 . . ?
C54 C55 C56 120.8(17) . . ?
C54 C55 H55 119.6 . . ?
C56 C55 H55 119.6 . . ?
C16 C15 H15 118.8 . . ?
C14 C15 C16 122(2) . . ?
C14 C15 H15 118.8 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119(2) . . ?
C14 C13 H13 120.3 . . ?
C74 C73 H73A 109.5 . . ?
C74 C73 H73B 109.5 . . ?
C74 C73 H73C 109.5 . . ?
H73A C73 H73B 109.5 . . ?
H73A C73 H73C 109.5 . . ?
H73B C73 H73C 109.5 . . ?
C4 C5 H5 120.3 . . ?
C6 C5 C4 119(3) . . ?
C6 C5 H5 120.3 . . ?
C15 C14 C13 120(2) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C44 C43 C42 119(3) . . ?
C48 C43 C42 125(3) . . ?
C48 C43 C44 116(3) . . ?
C41 C42 C43 112(2) . . ?
C41 C42 H42A 109.3 . . ?
C41 C42 H42B 109.3 . . ?
C43 C42 H42A 109.3 . . ?
C43 C42 H42B 109.3 . . ?
H42A C42 H42B 108.0 . . ?
C43 C44 H44 120.9 . . ?
C45 C44 C43 118(3) . . ?
C45 C44 H44 120.9 . . ?
C43 C48 H48 117.2 . . ?
C43 C48 C47 126(3) . . ?
C47 C48 H48 117.2 . . ?
C44 C45 H45 117.3 . . ?
C44 C45 C46 125(3) . . ?
C46 C45 H45 117.3 . . ?
C45 C46 H46 122.9 . . ?
C45 C46 C47 114(3) . . ?
C47 C46 H46 122.9 . . ?
C48 C47 C46 120(3) . . ?
C48 C47 H47 120.1 . . ?
C46 C47 H47 120.1 . . ?
C41 C42A H42C 108.4 . . ?
C41 C42A H42D 108.4 . . ?
H42C C42A H42D 107.5 . . ?
C43A C42A C41 115(3) . . ?
C43A C42A H42C 108.4 . . ?
C43A C42A H42D 108.4 . . ?
C42A C43A C48A 119(4) . . ?
C44A C43A C42A 126(5) . . ?
C44A C43A C48A 115(4) . . ?
C43A C48A H48A 119.9 . . ?
C47A C48A C43A 120(4) . . ?
C47A C48A H48A 119.9 . . ?
C48A C47A H47A 117.3 . . ?
C48A C47A C46A 125(4) . . ?
C46A C47A H47A 117.3 . . ?
C43A C44A H44A 117.6 . . ?
C43A C44A C45A 125(5) . . ?
C45A C44A H44A 117.6 . . ?
C47A C46A H46A 122.6 . . ?
C45A C46A C47A 115(4) . . ?
C45A C46A H46A 122.6 . . ?
C44A C45A H45A 120.5 . . ?
C46A C45A C44A 119(4) . . ?
C46A C45A H45A 120.5 . . ?

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 S9 C65 C66 -162.1(8) . . . . ?
Au7 S6 C41 C42 -152.4(14) . . . . ?
Au7 S6 C41 C42A 173(2) . . . . ?
Au6 S3 C17 C18 53.4(10) . . . . ?
Au3 S1 C1 C2 -54.2(14) . . . . ?
Au5 S5 C33 C34 -131.8(8) . . . . ?
Au8 S7 C49 C50 154.6(8) . . . . ?
Au11 S9 C65 C66 -67.6(9) . . . . ?
Au11 S8 C64 C57 -84.1(7) . . . . ?
Au13 S3 C17 C18 -42.3(10) . . . . ?
Au13 S2 C9 C10 59.8(9) . . . . ?
Au10 S6 C41 C42 -58.3(15) . . . . ?
Au10 S6 C41 C42A -93(2) . . . . ?
Au10 S4 C25 C26 -60.0(8) . . . . ?
Au9 S7 C49 C50 60.9(9) . . . . ?
Au9 S8 C64 C57 170.5(6) . . . . ?
Au1 S1 C1 C2 42.5(15) . . . . ?
Au1 S2 C9 C10 165.6(8) . . . . ?
Au12 S4 C25 C26 -164.7(7) . . . . ?
Au12 S5 C33 C34 136.4(8) . . . . ?
S6 C41 C42 C43 -57(2) . . . . ?
S6 C41 C42A C43A 55(5) . . . . ?
S9 C65 C66 C67 -171.6(9) . . . . ?
S4 C25 C26 C27 177.0(7) . . . . ?
S7 C49 C50 C51 176.1(9) . . . . ?
S8 C64 C57 C58 64.7(12) . . . . ?
S5 C33 C34 C35 -178.3(9) . . . . ?
S2 C9 C10 C11 175.6(9) . . . . ?
C49 C50 C51 C52 22(2) . . . . ?
C49 C50 C51 C56 -160.2(13) . . . . ?
C18 C19 C24 C23 -179.5(11) . . . . ?
C17 C18 C19 C20 -77.5(14) . . . . ?
C17 C18 C19 C24 98.4(13) . . . . ?
C50 C51 C52 C53 -178.2(15) . . . . ?
C50 C51 C56 C55 -179.5(17) . . . . ?
C25 C26 C27 C28 56.7(15) . . . . ?
C25 C26 C27 C32 -123.5(11) . . . . ?
C20 C19 C24 C23 -3.7(19) . . . . ?
C20 C21 C22 C23 -1(3) . . . . ?
C41 C42A C43A C48A 60(5) . . . . ?
C41 C42A C43A C44A -113(5) . . . . ?
C26 C27 C28 C29 178.5(12) . . . . ?
C26 C27 C32 C31 -178.6(11) . . . . ?
C58 C59 C60 C61 1(2) . . . . ?
C58 C63 C62 C61 -1(2) . . . . ?
C51 C52 C53 C54 -1(3) . . . . ?
C51 C56 C55 C54 -4(4) . . . . ?
C19 C18 C17 S3 175.3(9) . . . . ?
C19 C20 C21 C22 -1(2) . . . . ?
C19 C24 C23 C22 2(2) . . . . ?
C27 C28 C29 C30 1(2) . . . . ?
C28 C27 C32 C31 1.2(17) . . . . ?
C67 C68 C69 C70 2(3) . . . . ?
C59 C58 C57 C64 61.7(15) . . . . ?
C59 C58 C63 C62 2.2(18) . . . . ?
C31 C30 C29 C28 0(2) . . . . ?
C66 C67 C68 C69 -176.8(14) . . . . ?
C66 C67 C72 C71 175.0(14) . . . . ?
C52 C51 C56 C55 -1(3) . . . . ?
C52 C53 C54 C55 -4(3) . . . . ?
C32 C27 C28 C29 -1.3(19) . . . . ?
C32 C31 C30 C29 0(2) . . . . ?
C9 C10 C11 C12 101.2(15) . . . . ?
C9 C10 C11 C16 -80.8(17) . . . . ?
C79 C74 C75 C76 -3(2) . . . . ?
C57 C58 C59 C60 176.5(12) . . . . ?
C57 C58 C63 C62 -176.4(11) . . . . ?
C63 C58 C59 C60 -2.1(18) . . . . ?
C63 C58 C57 C64 -119.7(12) . . . . ?
C10 C11 C12 C13 179.2(14) . . . . ?
C10 C11 C16 C15 -178.5(16) . . . . ?
C35 C36 C37 C38 1(3) . . . . ?
C11 C12 C13 C14 -1(3) . . . . ?
C11 C16 C15 C14 0(3) . . . . ?
C68 C67 C66 C65 96.1(14) . . . . ?
C68 C67 C72 C71 1(2) . . . . ?
C68 C69 C70 C71 1(3) . . . . ?
C62 C61 C60 C59 0(2) . . . . ?
C30 C31 C32 C27 -0.5(18) . . . . ?
C34 C35 C36 C37 179.0(15) . . . . ?
C34 C35 C40 C39 -178.6(14) . . . . ?
C60 C61 C62 C63 0(2) . . . . ?
C36 C35 C34 C33 -87.3(17) . . . . ?
C36 C35 C40 C39 0(2) . . . . ?
C38 C39 C40 C35 -2(3) . . . . ?
C39 C38 C37 C36 -3(3) . . . . ?
C53 C54 C55 C56 6(4) . . . . ?
C12 C11 C16 C15 -1(3) . . . . ?
C12 C13 C14 C15 1(4) . . . . ?
C69 C70 C71 C72 -3(3) . . . . ?
C21 C20 C19 C18 179.2(12) . . . . ?
C21 C20 C19 C24 3.3(19) . . . . ?
C21 C22 C23 C24 0(3) . . . . ?
C70 C71 C72 C67 2(3) . . . . ?
C40 C35 C34 C33 91.2(16) . . . . ?
C40 C35 C36 C37 0(2) . . . . ?
C16 C11 C12 C13 1(2) . . . . ?
C16 C15 C14 C13 0(4) . . . . ?
C74 C79 C78 C77 0(3) . . . . ?
C74 C75 C76 C77 1(3) . . . . ?
C3 C4 C5 C6 -10(4) . . . . ?
C3 C2 C1 S1 -176.1(11) . . . . ?
C37 C38 C39 C40 3(3) . . . . ?
C72 C67 C66 C65 -77.5(16) . . . . ?
C72 C67 C68 C69 -3(2) . . . . ?
C75 C76 C77 C78 1(3) . . . . ?
C76 C77 C78 C79 -2(3) . . . . ?
C78 C79 C74 C75 2(2) . . . . ?
C78 C79 C74 C73 -177.5(19) . . . . ?
C56 C51 C52 C53 4(2) . . . . ?
C4 C3 C8 C7 -7(4) . . . . ?
C4 C3 C2 C1 -117(3) . . . . ?
C7 C6 C5 C4 3(4) . . . . ?
C6 C7 C8 C3 2(4) . . . . ?
C8 C3 C4 C5 12(4) . . . . ?
C8 C3 C2 C1 59(2) . . . . ?
C8 C7 C6 C5 0(4) . . . . ?
C2 C3 C4 C5 -172(2) . . . . ?
C2 C3 C8 C7 176.7(19) . . . . ?
C73 C74 C75 C76 176.8(18) . . . . ?
C43 C44 C45 C46 11(5) . . . . ?
C43 C48 C47 C46 7(5) . . . . ?
C42 C43 C44 C45 177(3) . . . . ?
C42 C43 C48 C47 174(3) . . . . ?
C44 C43 C42 C41 124(3) . . . . ?
C44 C43 C48 C47 1(5) . . . . ?
C44 C45 C46 C47 -3(5) . . . . ?
C48 C43 C42 C41 -48(4) . . . . ?
C48 C43 C44 C45 -10(4) . . . . ?
C45 C46 C47 C48 -6(4) . . . . ?
C42A C43A C48A C47A -176(4) . . . . ?
C42A C43A C44A C45A 176(4) . . . . ?
C43A C48A C47A C46A 7(6) . . . . ?
C43A C44A C45A C46A -6(7) . . . . ?
C48A C43A C44A C45A 2(6) . . . . ?
C48A C47A C46A C45A -10(6) . . . . ?
C47A C46A C45A C44A 9(6) . . . . ?
C44A C43A C48A C47A -2(6) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_20250224_zhwz_1_0m
_database_code_depnum_ccdc_archive 'CCDC 2538560'
loop_
_audit_author_name
_audit_author_address
'nan xia'
;Anhui Normal University
China
;
_audit_update_record             
;
2026-03-17 deposited with the CCDC.	2026-04-17 downloaded from the CCDC.
;
_audit_creation_date             2025-02-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C144 H162 Au25 S18'
_chemical_formula_sum            'C144 H162 Au25 S18'
_chemical_formula_weight         7393.97
_chemical_melting_point          ?
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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
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                   17.3927(6)
_cell_length_b                   27.6592(9)
_cell_length_c                   18.4466(7)
_cell_angle_alpha                90
_cell_angle_beta                 111.4700(10)
_cell_angle_gamma                90
_cell_volume                     8258.3(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9952
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      27.318
_cell_measurement_theta_min      2.360
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    22.373
_exptl_absorpt_correction_T_max  0.2616
_exptl_absorpt_correction_T_min  0.1209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1415 before and 0.0807 after correction.
The Ratio of minimum to maximum transmission is 0.4622.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    2.973
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             6578
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.0592
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_k_min       -35
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            110450
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.499
_diffrn_reflns_theta_min         2.151
_diffrn_ambient_temperature      213.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                14483
_reflns_number_total             18916
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.024
_refine_diff_density_min         -1.445
_refine_diff_density_rms         0.244
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1088
_refine_ls_number_reflns         18916
_refine_ls_number_restraints     821
_refine_ls_R_factor_all          0.0531
_refine_ls_R_factor_gt           0.0345
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0211P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0767
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 C67A-C66A
 1.4 with sigma of 0.02
 C17A-C18A = C17-C18
 1.5 with sigma of 0.02
 C59A-C58A = C58A-C57A
 1.5 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
S3 \\sim S8 \\sim S9 \\sim C17 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim
C23 \\sim C24 \\sim C57 \\sim C58 \\sim C59 \\sim C60 \\sim C61 \\sim C62 \\sim
C63 \\sim C64: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
S9 \\sim C65 \\sim C66 \\sim C67 \\sim C68 \\sim C69 \\sim C70 \\sim C71:
within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02 within 2A
S3 \\sim C17 \\sim C17A \\sim C18 \\sim C18A \\sim C19 \\sim C19A \\sim C20
\\sim C20A \\sim C21 \\sim C21A \\sim C22 \\sim C22A \\sim C23 \\sim C23A \\sim
C24 \\sim C24A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
S5 \\sim C33 \\sim C33A \\sim C34 \\sim C34A \\sim C35 \\sim C35A \\sim C36
\\sim C36A \\sim C37 \\sim C37A \\sim C38 \\sim C38A \\sim C39 \\sim C39A \\sim
C40 \\sim C40A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
S9 \\sim C65 \\sim C65A \\sim C66 \\sim C66A \\sim C67 \\sim C68 \\sim C69
\\sim C70 \\sim C71 \\sim C72: within 2A with sigma of 0.01 and sigma for
terminal atoms of 0.02 within 2A
S9 \\sim C65A \\sim C66A \\sim C67A \\sim C68A \\sim C69A \\sim C70A \\sim C71A
\\sim C72A: within 2A with sigma of 0.01 and sigma for terminal atoms of 0.02
within 2A
S8 \\sim C57 \\sim C57A \\sim C58 \\sim C58A \\sim C59 \\sim C59A \\sim C60
\\sim C60A \\sim C61 \\sim C61A \\sim C62 \\sim C62A \\sim C63 \\sim C63A \\sim
C64 \\sim C64A: within 2A with sigma of 0.01 and sigma for terminal atoms of
0.02 within 2A
4. Others
 Sof(C17A)=Sof(H17C)=Sof(H17D)=Sof(C18A)=Sof(H18C)=Sof(H18D)=Sof(C19A)=
 Sof(H19A)=Sof(C20A)=Sof(C21A)=Sof(H21A)=Sof(C22A)=Sof(H22A)=Sof(C23A)=
 Sof(H23A)=Sof(C24A)=Sof(H24A)=1-FVAR(1)
 Sof(C17)=Sof(H17A)=Sof(H17B)=Sof(C18)=Sof(H18A)=Sof(H18B)=Sof(C19)=Sof(C20)=
 Sof(H20)=Sof(C21)=Sof(H21)=Sof(C22)=Sof(H22)=Sof(C23)=Sof(H23)=Sof(C24)=
 Sof(H24)=FVAR(1)
 Sof(C33A)=Sof(H33C)=Sof(H33D)=Sof(C34A)=Sof(H34C)=Sof(H34D)=Sof(C35A)=
 Sof(C36A)=Sof(H36A)=Sof(C37A)=Sof(H37A)=Sof(C38A)=Sof(H38A)=Sof(C39A)=
 Sof(H39A)=Sof(C40A)=Sof(H40A)=1-FVAR(2)
 Sof(C33)=Sof(H33A)=Sof(H33B)=Sof(C34)=Sof(H34A)=Sof(H34B)=Sof(C35)=Sof(C40)=
 Sof(H40)=Sof(C39)=Sof(H39)=Sof(C38)=Sof(H38)=Sof(C37)=Sof(H37)=Sof(C36)=
 Sof(H36)=FVAR(2)
 Sof(C57A)=Sof(H57C)=Sof(H57D)=Sof(C58A)=Sof(H58C)=Sof(H58D)=Sof(C59A)=
 Sof(C60A)=Sof(H60A)=Sof(C61A)=Sof(H61A)=Sof(C62A)=Sof(H62A)=Sof(C63A)=
 Sof(H63A)=Sof(C64A)=Sof(H64A)=1-FVAR(3)
 Sof(C57)=Sof(H57A)=Sof(H57B)=Sof(C58)=Sof(H58A)=Sof(H58B)=Sof(C59)=Sof(C60)=
 Sof(H60)=Sof(C61)=Sof(H61)=Sof(C62)=Sof(H62)=Sof(C63)=Sof(H63)=Sof(C64)=
 Sof(H64)=FVAR(3)
 Sof(C65A)=Sof(H65C)=Sof(H65D)=Sof(C66A)=Sof(H66C)=Sof(H66D)=Sof(C67A)=
 Sof(C71A)=Sof(H71A)=Sof(C72A)=Sof(H72A)=Sof(C70A)=Sof(H70A)=Sof(C69A)=
 Sof(H69A)=Sof(C68A)=Sof(H68A)=1-FVAR(4)
 Sof(C65)=Sof(H65A)=Sof(H65B)=Sof(C66)=Sof(H66A)=Sof(H66B)=Sof(C67)=Sof(C68)=
 Sof(H68)=Sof(C69)=Sof(H69)=Sof(C70)=Sof(H70)=Sof(C71)=Sof(H71)=Sof(C72)=
 Sof(H72)=FVAR(4)
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C9(H9A,H9B), C10(H10A,H10B), C17(H17A,H17B),
 C17A(H17C,H17D), C18(H18A,H18B), C18A(H18C,H18D), C25(H25A,H25B), C26(H26A,
 H26B), C33(H33A,H33B), C33A(H33C,H33D), C34(H34A,H34B), C34A(H34C,H34D),
 C41(H41A,H41B), C42(H42A,H42B), C49(H49A,H49B), C50(H50A,H50B), C57(H57A,H57B),
  C57A(H57C,H57D), C58(H58A,H58B), C58A(H58C,H58D), C65(H65A,H65B), C65A(H65C,
 H65D), C66(H66A,H66B), C66A(H66C,H66D)
5.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C12(H12), C13(H13), C14(H14),
 C15(H15), C16(H16), C19A(H19A), C20(H20), C21(H21), C21A(H21A), C22(H22),
 C22A(H22A), C23(H23), C23A(H23A), C24(H24), C24A(H24A), C28(H28), C29(H29),
 C30(H30), C31(H31), C32(H32), C40(H40), C39(H39), C38(H38), C37(H37), C36(H36),
  C36A(H36A), C37A(H37A), C38A(H38A), C39A(H39A), C40A(H40A), C44(H44),
 C45(H45), C46(H46), C47(H47), C48(H48), C52(H52), C53(H53), C54(H54), C55(H55),
  C56(H56), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64), C60A(H60A),
 C61A(H61A), C62A(H62A), C63A(H63A), C64A(H64A), C71A(H71A), C72A(H72A),
 C70A(H70A), C69A(H69A), C68A(H68A), C68(H68), C69(H69), C70(H70), C71(H71),
 C72(H72)
5.c Fitted hexagon refined as free rotating group:
 C35(C40,C39,C38,C37,C36), C59(C60,C61,C62,C63,C64), C59A(C60A,C61A,C62A,C63A,
 C64A), C67A(C71A,C72A,C70A,C69A,C68A)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.28428(2) 0.54263(2) 0.24969(2) 0.03169(8) Uani 1 1 d . . . . .
Au2 Au 0.35328(2) 0.55096(2) 0.43462(2) 0.02731(8) Uani 1 1 d . . . . .
Au3 Au 0.47557(2) 0.55075(2) 0.36145(2) 0.02741(8) Uani 1 1 d . . . . .
Au4 Au 0.50985(2) 0.60064(2) 0.51039(2) 0.02687(8) Uani 1 1 d . . . . .
Au5 Au 0.62400(2) 0.53557(2) 0.63412(2) 0.02665(7) Uani 1 1 d . . . . .
Au6 Au 0.57003(2) 0.63698(2) 0.68451(2) 0.03538(9) Uani 1 1 d . . . . .
Au7 Au 0.500000 0.500000 0.500000 0.01979(9) Uani 1 2 d S . P . .
Au8 Au 0.36795(2) 0.45671(2) 0.52502(2) 0.03241(8) Uani 1 1 d . . . . .
Au9 Au 0.20162(2) 0.48621(2) 0.37213(2) 0.03310(8) Uani 1 1 d . . . . .
Au10 Au 0.54775(2) 0.45160(2) 0.39100(2) 0.02810(8) Uani 1 1 d . . . . .
Au11 Au 0.62733(2) 0.52929(2) 0.30477(2) 0.03490(9) Uani 1 1 d . . . . .
Au12 Au 0.58854(2) 0.63976(2) 0.38444(2) 0.03407(9) Uani 1 1 d . . . . .
Au13 Au 0.36486(2) 0.64479(2) 0.54712(2) 0.03054(8) Uani 1 1 d . . . . .
S1 S 0.40331(15) 0.55371(7) 0.22440(13) 0.0322(5) Uani 1 1 d . . . . .
S2 S 0.62615(15) 0.44622(8) 0.31006(14) 0.0335(5) Uani 1 1 d . . . . .
S3 S 0.62655(17) 0.61136(8) 0.28556(16) 0.0435(6) Uani 1 1 d . U . . .
S4 S 0.54844(16) 0.67771(7) 0.47719(14) 0.0336(5) Uani 1 1 d . . . . .
S5 S 0.69453(19) 0.59648(9) 0.72443(18) 0.0592(8) Uani 1 1 d . U . . .
S6 S 0.45246(16) 0.68298(7) 0.65618(14) 0.0344(5) Uani 1 1 d . . . . .
S7 S 0.25848(15) 0.60984(7) 0.44530(13) 0.0310(5) Uani 1 1 d . . . . .
S8 S 0.22628(16) 0.44140(9) 0.48311(16) 0.0407(6) Uani 1 1 d . U . . .
S9 S 0.15854(17) 0.53359(10) 0.26184(16) 0.0461(6) Uani 1 1 d . U . . .
C1 C 0.3879(6) 0.6132(3) 0.1758(5) 0.037(2) Uani 1 1 d . . . . .
H1A H 0.376105 0.637613 0.208895 0.044 Uiso 1 1 calc R U . . .
H1B H 0.438341 0.622850 0.167625 0.044 Uiso 1 1 calc R U . . .
C2 C 0.3191(8) 0.6105(3) 0.1010(6) 0.051(3) Uani 1 1 d . . . . .
H2A H 0.269802 0.599439 0.109989 0.061 Uiso 1 1 calc R U . . .
H2B H 0.332118 0.586247 0.068475 0.061 Uiso 1 1 calc R U . . .
C3 C 0.2991(6) 0.6580(3) 0.0565(5) 0.038(2) Uani 1 1 d . . . . .
C4 C 0.3137(8) 0.6634(4) -0.0115(6) 0.053(3) Uani 1 1 d . . . . .
H4 H 0.339088 0.638292 -0.028771 0.063 Uiso 1 1 calc R U . . .
C5 C 0.2914(9) 0.7057(5) -0.0547(7) 0.070(4) Uani 1 1 d . . . . .
H5 H 0.301213 0.708686 -0.101313 0.084 Uiso 1 1 calc R U . . .
C6 C 0.2555(8) 0.7426(4) -0.0305(6) 0.056(3) Uani 1 1 d . . . . .
H6 H 0.240425 0.771167 -0.059987 0.067 Uiso 1 1 calc R U . . .
C7 C 0.2420(8) 0.7378(4) 0.0358(7) 0.055(3) Uani 1 1 d . . . . .
H7 H 0.218588 0.763623 0.053628 0.066 Uiso 1 1 calc R U . . .
C8 C 0.2617(8) 0.6958(4) 0.0789(7) 0.054(3) Uani 1 1 d . . . . .
H8 H 0.249319 0.692956 0.124185 0.065 Uiso 1 1 calc R U . . .
C9 C 0.5523(7) 0.4280(3) 0.2140(6) 0.043(3) Uani 1 1 d . . . . .
H9A H 0.522580 0.398962 0.219530 0.052 Uiso 1 1 calc R U . . .
H9B H 0.511690 0.453827 0.192684 0.052 Uiso 1 1 calc R U . . .
C10 C 0.5958(7) 0.4177(4) 0.1585(6) 0.056(3) Uani 1 1 d . . . . .
H10A H 0.624004 0.447110 0.151781 0.067 Uiso 1 1 calc R U . . .
H10B H 0.637712 0.392729 0.180779 0.067 Uiso 1 1 calc R U . . .
C11 C 0.5369(8) 0.4012(4) 0.0806(7) 0.057(3) Uani 1 1 d . . . . .
C12 C 0.4984(10) 0.3560(5) 0.0734(8) 0.083(5) Uani 1 1 d . . . . .
H12 H 0.510900 0.336309 0.117793 0.100 Uiso 1 1 calc R U . . .
C13 C 0.4417(10) 0.3391(5) 0.0021(8) 0.084(5) Uani 1 1 d . . . . .
H13 H 0.417161 0.308547 -0.001063 0.101 Uiso 1 1 calc R U . . .
C14 C 0.4227(10) 0.3672(6) -0.0618(9) 0.090(5) Uani 1 1 d . . . . .
H14 H 0.384683 0.356089 -0.109691 0.108 Uiso 1 1 calc R U . . .
C15 C 0.4585(11) 0.4117(6) -0.0575(8) 0.097(6) Uani 1 1 d . . . . .
H15 H 0.445101 0.431107 -0.102295 0.116 Uiso 1 1 calc R U . . .
C16 C 0.5165(10) 0.4287(5) 0.0154(8) 0.076(4) Uani 1 1 d . . . . .
H16 H 0.540683 0.459335 0.018091 0.091 Uiso 1 1 calc R U . . .
C17 C 0.7430(19) 0.6298(10) 0.3297(18) 0.049(3) Uani 0.406(8) 1 d D U P A 1
H17A H 0.748553 0.664827 0.337824 0.059 Uiso 0.406(8) 1 calc R U P A 1
H17B H 0.770709 0.613610 0.379801 0.059 Uiso 0.406(8) 1 calc R U P A 1
C17A C 0.7232(11) 0.6291(8) 0.2873(12) 0.056(3) Uani 0.594(8) 1 d D U P A 2
H17C H 0.729837 0.616166 0.240499 0.067 Uiso 0.594(8) 1 calc R U P A 2
H17D H 0.723141 0.664423 0.283340 0.067 Uiso 0.594(8) 1 calc R U P A 2
C18 C 0.7805(17) 0.6139(10) 0.2707(17) 0.059(3) Uani 0.406(8) 1 d D U P A 1
H18A H 0.770174 0.579133 0.262006 0.070 Uiso 0.406(8) 1 calc R U P A 1
H18B H 0.749552 0.630078 0.221309 0.070 Uiso 0.406(8) 1 calc R U P A 1
C18A C 0.7959(12) 0.6150(8) 0.3546(12) 0.068(3) Uani 0.594(8) 1 d D U P A 2
H18C H 0.793934 0.580014 0.362310 0.081 Uiso 0.594(8) 1 calc R U P A 2
H18D H 0.793376 0.630940 0.401130 0.081 Uiso 0.594(8) 1 calc R U P A 2
C19 C 0.863(2) 0.6215(12) 0.286(2) 0.074(4) Uani 0.406(8) 1 d . U P A 1
C19A C 0.9083(14) 0.6716(8) 0.3705(15) 0.076(4) Uani 0.594(8) 1 d . U P A 2
H19A H 0.871694 0.693712 0.379378 0.091 Uiso 0.594(8) 1 calc R U P A 2
C20 C 0.912(2) 0.5825(13) 0.316(2) 0.076(4) Uani 0.406(8) 1 d . U P A 1
H20 H 0.894996 0.554446 0.335008 0.092 Uiso 0.406(8) 1 calc R U P A 1
C20A C 0.8807(14) 0.6279(8) 0.3470(17) 0.074(3) Uani 0.594(8) 1 d . U P A 2
C21 C 0.994(2) 0.5902(13) 0.316(2) 0.075(4) Uani 0.406(8) 1 d . U P A 1
H21 H 1.025504 0.562923 0.315522 0.090 Uiso 0.406(8) 1 calc R U P A 1
C21A C 1.0365(16) 0.6621(9) 0.3598(17) 0.084(4) Uani 0.594(8) 1 d . U P A 2
H21A H 1.090268 0.673885 0.370770 0.100 Uiso 0.594(8) 1 calc R U P A 2
C22 C 1.029(3) 0.6361(14) 0.317(3) 0.081(4) Uani 0.406(8) 1 d . U P A 1
H22 H 1.086194 0.641003 0.334072 0.097 Uiso 0.406(8) 1 calc R U P A 1
C22A C 1.0124(17) 0.6170(10) 0.3180(19) 0.080(4) Uani 0.594(8) 1 d . U P A 2
H22A H 1.048447 0.599504 0.300307 0.096 Uiso 0.594(8) 1 calc R U P A 2
C23 C 0.981(2) 0.6680(13) 0.294(2) 0.087(4) Uani 0.406(8) 1 d . U P A 1
H23 H 1.000139 0.698714 0.287657 0.104 Uiso 0.406(8) 1 calc R U P A 1
C23A C 0.9855(14) 0.6867(8) 0.3826(15) 0.080(4) Uani 0.594(8) 1 d . U P A 2
H23A H 1.003486 0.716259 0.408529 0.096 Uiso 0.594(8) 1 calc R U P A 2
C24 C 0.890(2) 0.6618(12) 0.275(2) 0.083(4) Uani 0.406(8) 1 d . U P A 1
H24 H 0.853750 0.687829 0.255680 0.100 Uiso 0.406(8) 1 calc R U P A 1
C24A C 0.9291(17) 0.6002(9) 0.3048(17) 0.079(3) Uani 0.594(8) 1 d . U P A 2
H24A H 0.905896 0.573813 0.272034 0.095 Uiso 0.594(8) 1 calc R U P A 2
C25 C 0.4521(6) 0.7089(3) 0.4216(5) 0.034(2) Uani 1 1 d . . . . .
H25A H 0.419498 0.712263 0.454787 0.041 Uiso 1 1 calc R U . . .
H25B H 0.465622 0.741476 0.409212 0.041 Uiso 1 1 calc R U . . .
C26 C 0.3983(6) 0.6842(3) 0.3456(5) 0.037(2) Uani 1 1 d . . . . .
H26A H 0.431613 0.678161 0.313668 0.044 Uiso 1 1 calc R U . . .
H26B H 0.379413 0.652917 0.357696 0.044 Uiso 1 1 calc R U . . .
C27 C 0.3251(6) 0.7142(3) 0.3003(5) 0.032(2) Uani 1 1 d . . . . .
C28 C 0.3354(7) 0.7592(3) 0.2691(5) 0.044(3) Uani 1 1 d . . . . .
H28 H 0.389187 0.770096 0.277500 0.053 Uiso 1 1 calc R U . . .
C29 C 0.2701(9) 0.7872(4) 0.2271(7) 0.062(3) Uani 1 1 d . . . . .
H29 H 0.278460 0.816735 0.205790 0.075 Uiso 1 1 calc R U . . .
C30 C 0.1915(10) 0.7717(5) 0.2163(7) 0.082(5) Uani 1 1 d . . . . .
H30 H 0.146064 0.791612 0.189988 0.098 Uiso 1 1 calc R U . . .
C31 C 0.1784(8) 0.7261(5) 0.2443(8) 0.075(4) Uani 1 1 d . . . . .
H31 H 0.124755 0.714513 0.235041 0.090 Uiso 1 1 calc R U . . .
C32 C 0.2473(7) 0.6991(4) 0.2859(6) 0.056(3) Uani 1 1 d . . . . .
H32 H 0.239527 0.668707 0.305078 0.067 Uiso 1 1 calc R U . . .
C33 C 0.7360(15) 0.5842(7) 0.8205(12) 0.050(3) Uani 0.539(15) 1 d . U P B 1
H33A H 0.764754 0.553068 0.828152 0.060 Uiso 0.539(15) 1 calc R U P B 1
H33B H 0.776787 0.609119 0.846541 0.060 Uiso 0.539(15) 1 calc R U P B 1
C33A C 0.6859(18) 0.5658(8) 0.8219(14) 0.049(4) Uani 0.461(15) 1 d . U P B 2
H33C H 0.629901 0.553051 0.809216 0.059 Uiso 0.461(15) 1 calc R U P B 2
H33D H 0.724520 0.538648 0.838281 0.059 Uiso 0.461(15) 1 calc R U P B 2
C34 C 0.6727(16) 0.5823(8) 0.8566(14) 0.056(3) Uani 0.539(15) 1 d . U P B 1
H34A H 0.629905 0.558928 0.828294 0.067 Uiso 0.539(15) 1 calc R U P B 1
H34B H 0.646459 0.614095 0.851977 0.067 Uiso 0.539(15) 1 calc R U P B 1
C34A C 0.7044(19) 0.6009(9) 0.8881(16) 0.056(3) Uani 0.461(15) 1 d . U P B 2
H34C H 0.750980 0.621372 0.889770 0.067 Uiso 0.461(15) 1 calc R U P B 2
H34D H 0.656341 0.621869 0.879021 0.067 Uiso 0.461(15) 1 calc R U P B 2
C35 C 0.7099(14) 0.5677(6) 0.9439(9) 0.064(3) Uani 0.539(15) 1 d G U P B 1
C40 C 0.7523(15) 0.6023(5) 0.9985(11) 0.069(3) Uani 0.539(15) 1 d G U P B 1
H40 H 0.756232 0.634213 0.982551 0.083 Uiso 0.539(15) 1 calc R U P B 1
C39 C 0.7888(13) 0.5898(6) 1.0767(11) 0.075(4) Uani 0.539(15) 1 d G U P B 1
H39 H 0.817465 0.613279 1.113601 0.090 Uiso 0.539(15) 1 calc R U P B 1
C38 C 0.7830(13) 0.5427(7) 1.1003(9) 0.075(4) Uani 0.539(15) 1 d G U P B 1
H38 H 0.807663 0.534267 1.153164 0.090 Uiso 0.539(15) 1 calc R U P B 1
C37 C 0.7406(14) 0.5081(5) 1.0457(12) 0.076(4) Uani 0.539(15) 1 d G U P B 1
H37 H 0.736629 0.476187 1.061676 0.091 Uiso 0.539(15) 1 calc R U P B 1
C36 C 0.7041(13) 0.5206(6) 0.9675(11) 0.070(4) Uani 0.539(15) 1 d G U P B 1
H36 H 0.675395 0.497120 0.930624 0.084 Uiso 0.539(15) 1 calc R U P B 1
C35A C 0.724(2) 0.5770(10) 0.9619(19) 0.064(3) Uani 0.461(15) 1 d . U P B 2
C36A C 0.689(2) 0.5342(10) 0.977(2) 0.069(4) Uani 0.461(15) 1 d . U P B 2
H36A H 0.647574 0.519528 0.934882 0.083 Uiso 0.461(15) 1 calc R U P B 2
C37A C 0.709(2) 0.5126(10) 1.046(2) 0.072(4) Uani 0.461(15) 1 d . U P B 2
H37A H 0.682507 0.483792 1.051139 0.087 Uiso 0.461(15) 1 calc R U P B 2
C38A C 0.767(2) 0.5323(11) 1.109(2) 0.074(4) Uani 0.461(15) 1 d . U P B 2
H38A H 0.783249 0.517314 1.157677 0.089 Uiso 0.461(15) 1 calc R U P B 2
C39A C 0.803(2) 0.5752(11) 1.099(2) 0.078(4) Uani 0.461(15) 1 d . U P B 2
H39A H 0.841309 0.590595 1.143139 0.093 Uiso 0.461(15) 1 calc R U P B 2
C40A C 0.784(2) 0.5963(10) 1.025(2) 0.074(4) Uani 0.461(15) 1 d . U P B 2
H40A H 0.813374 0.623857 1.019514 0.089 Uiso 0.461(15) 1 calc R U P B 2
C41 C 0.4794(6) 0.7416(3) 0.6249(6) 0.043(2) Uani 1 1 d . . . . .
H41A H 0.514064 0.736278 0.594053 0.051 Uiso 1 1 calc R U . . .
H41B H 0.428841 0.758028 0.591728 0.051 Uiso 1 1 calc R U . . .
C42 C 0.5254(7) 0.7736(3) 0.6946(6) 0.047(3) Uani 1 1 d . . . . .
H42A H 0.532746 0.805634 0.675398 0.056 Uiso 1 1 calc R U . . .
H42B H 0.491057 0.777530 0.726058 0.056 Uiso 1 1 calc R U . . .
C43 C 0.6068(8) 0.7553(3) 0.7451(6) 0.048(3) Uani 1 1 d . . . . .
C44 C 0.6704(9) 0.7468(4) 0.7195(8) 0.063(3) Uani 1 1 d . . . . .
H44 H 0.660953 0.751557 0.666465 0.076 Uiso 1 1 calc R U . . .
C45 C 0.7489(10) 0.7311(4) 0.7690(14) 0.095(6) Uani 1 1 d . . . . .
H45 H 0.793158 0.727241 0.751817 0.114 Uiso 1 1 calc R U . . .
C46 C 0.7562(12) 0.7219(5) 0.8442(14) 0.111(7) Uani 1 1 d . . . . .
H46 H 0.806660 0.708804 0.877478 0.134 Uiso 1 1 calc R U . . .
C47 C 0.6993(12) 0.7297(5) 0.8745(10) 0.097(6) Uani 1 1 d . . . . .
H47 H 0.709471 0.724871 0.927668 0.117 Uiso 1 1 calc R U . . .
C48 C 0.6243(9) 0.7455(4) 0.8231(8) 0.068(4) Uani 1 1 d . . . . .
H48 H 0.581590 0.749899 0.842273 0.082 Uiso 1 1 calc R U . . .
C49 C 0.2009(6) 0.5797(3) 0.4977(5) 0.033(2) Uani 1 1 d . . . . .
H49A H 0.154059 0.562372 0.460200 0.039 Uiso 1 1 calc R U . . .
H49B H 0.236868 0.555788 0.533380 0.039 Uiso 1 1 calc R U . . .
C50 C 0.1686(7) 0.6148(3) 0.5444(6) 0.048(3) Uani 1 1 d . . . . .
H50A H 0.215262 0.631218 0.583705 0.057 Uiso 1 1 calc R U . . .
H50B H 0.133771 0.639374 0.509405 0.057 Uiso 1 1 calc R U . . .
C51 C 0.1198(7) 0.5886(4) 0.5835(7) 0.049(3) Uani 1 1 d . . . . .
C52 C 0.0450(8) 0.5695(5) 0.5417(8) 0.070(4) Uani 1 1 d . . . . .
H52 H 0.023668 0.574228 0.487447 0.084 Uiso 1 1 calc R U . . .
C53 C -0.0025(10) 0.5429(6) 0.5751(13) 0.104(6) Uani 1 1 d . . . . .
H53 H -0.054046 0.529391 0.545450 0.125 Uiso 1 1 calc R U . . .
C54 C 0.0323(14) 0.5383(7) 0.6541(14) 0.114(7) Uani 1 1 d . . . . .
H54 H 0.002775 0.520580 0.678739 0.136 Uiso 1 1 calc R U . . .
C55 C 0.1062(12) 0.5573(7) 0.7001(12) 0.124(8) Uani 1 1 d . . . . .
H55 H 0.126698 0.553569 0.754548 0.149 Uiso 1 1 calc R U . . .
C56 C 0.1492(10) 0.5821(5) 0.6627(10) 0.088(5) Uani 1 1 d . . . . .
H56 H 0.200969 0.595252 0.692611 0.105 Uiso 1 1 calc R U . . .
C57 C 0.2241(13) 0.3783(8) 0.4491(14) 0.053(3) Uani 0.582(8) 1 d . U P C 1
H57A H 0.247332 0.376755 0.408124 0.064 Uiso 0.582(8) 1 calc R U P C 1
H57B H 0.257456 0.357699 0.492376 0.064 Uiso 0.582(8) 1 calc R U P C 1
C57A C 0.198(2) 0.3810(12) 0.4613(18) 0.058(4) Uani 0.418(8) 1 d D U P C 2
H57C H 0.228102 0.361209 0.507053 0.070 Uiso 0.418(8) 1 calc R U P C 2
H57D H 0.138993 0.377657 0.451226 0.070 Uiso 0.418(8) 1 calc R U P C 2
C58 C 0.1335(14) 0.3603(7) 0.4170(15) 0.072(3) Uani 0.582(8) 1 d . U P C 1
H58A H 0.104995 0.373791 0.449432 0.087 Uiso 0.582(8) 1 calc R U P C 1
H58B H 0.106368 0.373183 0.364272 0.087 Uiso 0.582(8) 1 calc R U P C 1
C58A C 0.214(2) 0.3620(8) 0.3946(18) 0.071(4) Uani 0.418(8) 1 d D U P C 2
H58C H 0.273903 0.360564 0.406075 0.086 Uiso 0.418(8) 1 calc R U P C 2
H58D H 0.188785 0.382685 0.348965 0.086 Uiso 0.418(8) 1 calc R U P C 2
C59 C 0.1227(11) 0.3083(4) 0.4140(12) 0.085(4) Uani 0.582(8) 1 d G U P C 1
C60 C 0.0512(10) 0.2901(6) 0.4210(12) 0.113(6) Uani 0.582(8) 1 d G U P C 1
H60 H 0.012521 0.311391 0.428387 0.135 Uiso 0.582(8) 1 calc R U P C 1
C61 C 0.0368(10) 0.2406(6) 0.4170(12) 0.125(6) Uani 0.582(8) 1 d G U P C 1
H61 H -0.011512 0.228342 0.421779 0.150 Uiso 0.582(8) 1 calc R U P C 1
C62 C 0.0940(12) 0.2092(4) 0.4061(12) 0.115(5) Uani 0.582(8) 1 d G U P C 1
H62 H 0.084311 0.175658 0.403420 0.138 Uiso 0.582(8) 1 calc R U P C 1
C63 C 0.1655(11) 0.2273(5) 0.3991(13) 0.108(4) Uani 0.582(8) 1 d G U P C 1
H63 H 0.204167 0.206023 0.391668 0.130 Uiso 0.582(8) 1 calc R U P C 1
C64 C 0.1798(10) 0.2768(6) 0.4030(12) 0.098(4) Uani 0.582(8) 1 d G U P C 1
H64 H 0.228201 0.289073 0.398276 0.118 Uiso 0.582(8) 1 calc R U P C 1
C59A C 0.1766(14) 0.3110(6) 0.3793(14) 0.089(4) Uani 0.418(8) 1 d DG U P C 2
C60A C 0.0972(14) 0.3054(6) 0.3244(14) 0.094(4) Uani 0.418(8) 1 d G U P C 2
H60A H 0.064825 0.332815 0.302929 0.113 Uiso 0.418(8) 1 calc R U P C 2
C61A C 0.0655(12) 0.2594(8) 0.3014(13) 0.098(6) Uani 0.418(8) 1 d G U P C 2
H61A H 0.011837 0.255668 0.264356 0.118 Uiso 0.418(8) 1 calc R U P C 2
C62A C 0.1134(15) 0.2189(6) 0.3333(15) 0.102(5) Uani 0.418(8) 1 d G U P C 2
H62A H 0.091983 0.187821 0.317698 0.123 Uiso 0.418(8) 1 calc R U P C 2
C63A C 0.1928(15) 0.2245(6) 0.3881(16) 0.103(4) Uani 0.418(8) 1 d G U P C 2
H63A H 0.225118 0.197121 0.409613 0.124 Uiso 0.418(8) 1 calc R U P C 2
C64A C 0.2244(12) 0.2705(8) 0.4111(15) 0.100(5) Uani 0.418(8) 1 d G U P C 2
H64A H 0.278108 0.274268 0.448188 0.120 Uiso 0.418(8) 1 calc R U P C 2
C65 C 0.0898(17) 0.4989(9) 0.1884(16) 0.056(3) Uani 0.503(8) 1 d . U P D -1
H65A H 0.111436 0.465835 0.193124 0.067 Uiso 0.503(8) 1 calc R U P D -1
H65B H 0.037336 0.497468 0.196834 0.067 Uiso 0.503(8) 1 calc R U P D -1
C65A C 0.1129(18) 0.4821(10) 0.1839(18) 0.062(4) Uani 0.497(8) 1 d . U P D 2
H65C H 0.095063 0.497324 0.132468 0.074 Uiso 0.497(8) 1 calc R U P D 2
H65D H 0.158585 0.460315 0.187444 0.074 Uiso 0.497(8) 1 calc R U P D 2
C66 C 0.0718(16) 0.5168(9) 0.1036(14) 0.064(4) Uani 0.503(8) 1 d . U P D -1
H66A H 0.045461 0.548658 0.096993 0.076 Uiso 0.503(8) 1 calc R U P D -1
H66B H 0.124251 0.520500 0.095856 0.076 Uiso 0.503(8) 1 calc R U P D -1
C66A C 0.0479(19) 0.4535(9) 0.1856(16) 0.085(4) Uani 0.497(8) 1 d D U P D 2
H66C H 0.000055 0.474896 0.173782 0.102 Uiso 0.497(8) 1 calc R U P D 2
H66D H 0.062384 0.443075 0.239750 0.102 Uiso 0.497(8) 1 calc R U P D 2
C67 C 0.0202(17) 0.4851(10) 0.0460(14) 0.071(4) Uani 0.503(8) 1 d . U P D -1
C67A C 0.0196(18) 0.4114(8) 0.1387(16) 0.122(6) Uani 0.497(8) 1 d DG U P D 2
C71A C 0.0455(18) 0.4024(9) 0.0770(17) 0.159(8) Uani 0.497(8) 1 d G U P D 2
H71A H 0.077651 0.425448 0.063449 0.191 Uiso 0.497(8) 1 calc R U P D 2
C72A C 0.0238(19) 0.3595(11) 0.0354(15) 0.169(8) Uani 0.497(8) 1 d G U P D 2
H72A H 0.041275 0.353412 -0.006277 0.202 Uiso 0.497(8) 1 calc R U P D 2
C70A C -0.0238(19) 0.3254(8) 0.0555(17) 0.166(8) Uani 0.497(8) 1 d G U P D 2
H70A H -0.038476 0.296360 0.027353 0.199 Uiso 0.497(8) 1 calc R U P D 2
C69A C -0.0497(18) 0.3344(9) 0.1171(18) 0.163(8) Uani 0.497(8) 1 d G U P D 2
H69A H -0.081852 0.311344 0.130710 0.195 Uiso 0.497(8) 1 calc R U P D 2
C68A C -0.0280(18) 0.3773(10) 0.1587(15) 0.150(7) Uani 0.497(8) 1 d G U P D 2
H68A H -0.045476 0.383381 0.200437 0.180 Uiso 0.497(8) 1 calc R U P D 2
C68 C -0.0678(18) 0.4789(11) 0.0365(16) 0.082(5) Uani 0.503(8) 1 d . U P D -1
H68 H -0.093199 0.499970 0.060877 0.098 Uiso 0.503(8) 1 calc R U P D -1
C69 C -0.111(2) 0.4413(11) -0.0091(18) 0.093(6) Uani 0.503(8) 1 d . U P D -1
H69 H -0.162027 0.433228 -0.005726 0.112 Uiso 0.503(8) 1 calc R U P D -1
C70 C -0.085(2) 0.4138(11) -0.0605(18) 0.098(6) Uani 0.503(8) 1 d . U P D -1
H70 H -0.121584 0.392986 -0.097509 0.117 Uiso 0.503(8) 1 calc R U P D -1
C71 C 0.054(2) 0.4545(10) 0.0001(17) 0.084(5) Uani 0.503(8) 1 d . U P D -1
H71 H 0.109778 0.457578 0.005311 0.101 Uiso 0.503(8) 1 calc R U P D -1
C72 C 0.001(2) 0.4190(11) -0.0540(17) 0.093(6) Uani 0.503(8) 1 d . U P D -1
H72 H 0.021677 0.399667 -0.084388 0.111 Uiso 0.503(8) 1 calc R U P D -1


_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 Au2 3.1834(5) . ?
Au1 Au3 3.2169(5) . ?
Au1 Au5 3.0520(5) 3_666 ?
Au1 S1 2.303(2) . ?
Au1 S9 2.292(3) . ?
Au2 Au3 2.9065(4) . ?
Au2 Au4 2.9106(5) . ?
Au2 Au5 2.8034(4) 3_666 ?
Au2 Au7 2.7749(3) . ?
Au2 Au8 3.0544(4) . ?
Au2 Au9 3.0442(5) . ?
Au2 Au10 3.0433(5) 3_666 ?
Au2 Au13 3.2827(4) . ?
Au2 S7 2.376(2) . ?
Au3 Au4 2.9340(5) . ?
Au3 Au5 2.9681(4) 3_666 ?
Au3 Au7 2.8085(3) . ?
Au3 Au8 2.7683(5) 3_666 ?
Au3 Au10 2.9822(4) . ?
Au3 Au11 3.2300(5) . ?
Au3 Au12 3.0807(5) . ?
Au3 S1 2.377(2) . ?
Au4 Au5 3.0122(5) . ?
Au4 Au6 3.1562(5) . ?
Au4 Au7 2.7912(3) . ?
Au4 Au8 2.9116(5) 3_666 ?
Au4 Au10 2.7810(4) 3_666 ?
Au4 Au12 3.2817(4) . ?
Au4 Au13 3.0918(5) . ?
Au4 S4 2.381(2) . ?
Au5 Au6 3.2018(4) . ?
Au5 Au7 2.7990(3) . ?
Au5 Au8 2.9974(5) 3_666 ?
Au5 Au9 3.1355(5) 3_666 ?
Au5 Au10 2.8723(5) 3_666 ?
Au5 S5 2.371(3) . ?
Au6 Au10 3.1703(5) 3_666 ?
Au6 S5 2.306(3) . ?
Au6 S6 2.300(2) . ?
Au7 Au8 2.7744(3) 3_666 ?
Au7 Au8 2.7745(3) . ?
Au7 Au10 2.7834(3) 3_666 ?
Au7 Au10 2.7833(3) . ?
Au8 Au9 3.3190(5) . ?
Au8 Au10 3.0526(5) 3_666 ?
Au8 Au11 3.1345(5) 3_666 ?
Au8 Au12 3.0915(5) 3_666 ?
Au8 S8 2.335(3) . ?
Au9 S8 2.295(3) . ?
Au9 S9 2.303(3) . ?
Au10 Au11 3.2673(4) . ?
Au10 Au13 3.0742(5) 3_666 ?
Au10 S2 2.367(2) . ?
Au11 S2 2.300(2) . ?
Au11 S3 2.297(2) . ?
Au12 S3 2.294(2) . ?
Au12 S4 2.321(2) . ?
Au13 S6 2.289(2) . ?
Au13 S7 2.311(2) . ?
S1 C1 1.847(8) . ?
S2 C9 1.839(11) . ?
S3 C17 1.95(3) . ?
S3 C17A 1.739(19) . ?
S4 C25 1.829(9) . ?
S5 C33 1.69(2) . ?
S5 C33A 2.04(2) . ?
S6 C41 1.838(9) . ?
S7 C49 1.828(8) . ?
S8 C57 1.85(2) . ?
S8 C57A 1.75(3) . ?
S9 C65 1.73(3) . ?
S9 C65A 1.97(3) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 C2 1.462(14) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 C3 1.521(12) . ?
C3 C4 1.375(12) . ?
C3 C8 1.371(13) . ?
C4 H4 0.9400 . ?
C4 C5 1.387(15) . ?
C5 H5 0.9400 . ?
C5 C6 1.354(16) . ?
C6 H6 0.9400 . ?
C6 C7 1.335(14) . ?
C7 H7 0.9400 . ?
C7 C8 1.377(14) . ?
C8 H8 0.9400 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 C10 1.505(12) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 C11 1.499(16) . ?
C11 C12 1.403(17) . ?
C11 C16 1.354(16) . ?
C12 H12 0.9400 . ?
C12 C13 1.403(19) . ?
C13 H13 0.9400 . ?
C13 C14 1.35(2) . ?
C14 H14 0.9400 . ?
C14 C15 1.37(2) . ?
C15 H15 0.9400 . ?
C15 C16 1.43(2) . ?
C16 H16 0.9400 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 C18 1.524(18) . ?
C17A H17C 0.9800 . ?
C17A H17D 0.9800 . ?
C17A C18A 1.464(17) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 C19 1.37(4) . ?
C18A H18C 0.9800 . ?
C18A H18D 0.9800 . ?
C18A C20A 1.57(3) . ?
C19 C20 1.36(5) . ?
C19 C24 1.25(4) . ?
C19A H19A 0.9400 . ?
C19A C20A 1.31(3) . ?
C19A C23A 1.35(3) . ?
C20 H20 0.9400 . ?
C20 C21 1.44(5) . ?
C20A C24A 1.54(4) . ?
C21 H21 0.9400 . ?
C21 C22 1.41(4) . ?
C21A H21A 0.9400 . ?
C21A C22A 1.44(4) . ?
C21A C23A 1.30(3) . ?
C22 H22 0.9400 . ?
C22 C23 1.18(5) . ?
C22A H22A 0.9400 . ?
C22A C24A 1.45(3) . ?
C23 H23 0.9400 . ?
C23 C24 1.49(4) . ?
C23A H23A 0.9400 . ?
C24 H24 0.9400 . ?
C24A H24A 0.9400 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 C26 1.531(13) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 C27 1.492(13) . ?
C27 C28 1.410(12) . ?
C27 C32 1.346(14) . ?
C28 H28 0.9400 . ?
C28 C29 1.360(15) . ?
C29 H29 0.9400 . ?
C29 C30 1.376(19) . ?
C30 H30 0.9400 . ?
C30 C31 1.414(18) . ?
C31 H31 0.9400 . ?
C31 C32 1.382(16) . ?
C32 H32 0.9400 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 C34 1.48(3) . ?
C33A H33C 0.9800 . ?
C33A H33D 0.9800 . ?
C33A C34A 1.50(4) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 C35 1.55(3) . ?
C34A H34C 0.9800 . ?
C34A H34D 0.9800 . ?
C34A C35A 1.44(4) . ?
C35 C40 1.3900 . ?
C35 C36 1.3900 . ?
C40 H40 0.9400 . ?
C40 C39 1.3900 . ?
C39 H39 0.9400 . ?
C39 C38 1.3900 . ?
C38 H38 0.9400 . ?
C38 C37 1.3900 . ?
C37 H37 0.9400 . ?
C37 C36 1.3900 . ?
C36 H36 0.9400 . ?
C35A C36A 1.41(4) . ?
C35A C40A 1.36(4) . ?
C36A H36A 0.9400 . ?
C36A C37A 1.33(4) . ?
C37A H37A 0.9400 . ?
C37A C38A 1.34(4) . ?
C38A H38A 0.9400 . ?
C38A C39A 1.38(4) . ?
C39A H39A 0.9400 . ?
C39A C40A 1.41(4) . ?
C40A H40A 0.9400 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 C42 1.524(14) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 C43 1.469(16) . ?
C43 C44 1.373(15) . ?
C43 C48 1.385(16) . ?
C44 H44 0.9400 . ?
C44 C45 1.41(2) . ?
C45 H45 0.9400 . ?
C45 C46 1.37(2) . ?
C46 H46 0.9400 . ?
C46 C47 1.32(2) . ?
C47 H47 0.9400 . ?
C47 C48 1.37(2) . ?
C48 H48 0.9400 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 C50 1.535(11) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 C51 1.487(12) . ?
C51 C52 1.354(16) . ?
C51 C56 1.371(18) . ?
C52 H52 0.9400 . ?
C52 C53 1.405(18) . ?
C53 H53 0.9400 . ?
C53 C54 1.36(3) . ?
C54 H54 0.9400 . ?
C54 C55 1.36(3) . ?
C55 H55 0.9400 . ?
C55 C56 1.374(18) . ?
C56 H56 0.9400 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 C58 1.55(3) . ?
C57A H57C 0.9800 . ?
C57A H57D 0.9800 . ?
C57A C58A 1.457(19) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 C59 1.45(2) . ?
C58A H58C 0.9800 . ?
C58A H58D 0.9800 . ?
C58A C59A 1.538(17) . ?
C59 C60 1.3900 . ?
C59 C64 1.3900 . ?
C60 H60 0.9400 . ?
C60 C61 1.3900 . ?
C61 H61 0.9400 . ?
C61 C62 1.3900 . ?
C62 H62 0.9400 . ?
C62 C63 1.3900 . ?
C63 H63 0.9400 . ?
C63 C64 1.3900 . ?
C64 H64 0.9400 . ?
C59A C60A 1.3900 . ?
C59A C64A 1.3900 . ?
C60A H60A 0.9400 . ?
C60A C61A 1.3900 . ?
C61A H61A 0.9400 . ?
C61A C62A 1.3900 . ?
C62A H62A 0.9400 . ?
C62A C63A 1.3900 . ?
C63A H63A 0.9400 . ?
C63A C64A 1.3900 . ?
C64A H64A 0.9400 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 C66 1.56(3) . ?
C65A H65C 0.9800 . ?
C65A H65D 0.9800 . ?
C65A C66A 1.39(3) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 C67 1.41(3) . ?
C66A H66C 0.9800 . ?
C66A H66D 0.9800 . ?
C66A C67A 1.426(17) . ?
C67 C68 1.48(4) . ?
C67 C71 1.47(4) . ?
C67A C71A 1.3900 . ?
C67A C68A 1.3900 . ?
C71A H71A 0.9400 . ?
C71A C72A 1.3900 . ?
C72A H72A 0.9400 . ?
C72A C70A 1.3900 . ?
C70A H70A 0.9400 . ?
C70A C69A 1.3900 . ?
C69A H69A 0.9400 . ?
C69A C68A 1.3900 . ?
C68A H68A 0.9400 . ?
C68 H68 0.9400 . ?
C68 C69 1.37(4) . ?
C69 H69 0.9400 . ?
C69 C70 1.41(4) . ?
C70 H70 0.9400 . ?
C70 C72 1.46(4) . ?
C71 H71 0.9400 . ?
C71 C72 1.46(4) . ?
C72 H72 0.9400 . ?

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
Au2 Au1 Au3 54.012(10) . . ?
Au5 Au1 Au2 53.384(10) 3_666 . ?
Au5 Au1 Au3 56.445(11) 3_666 . ?
S1 Au1 Au2 101.14(6) . . ?
S1 Au1 Au3 47.55(6) . . ?
S1 Au1 Au5 87.65(6) . 3_666 ?
S9 Au1 Au2 84.38(7) . . ?
S9 Au1 Au3 138.15(7) . . ?
S9 Au1 Au5 97.25(7) . 3_666 ?
S9 Au1 S1 174.17(9) . . ?
Au1 Au2 Au13 130.274(13) . . ?
Au3 Au2 Au1 63.583(12) . . ?
Au3 Au2 Au4 60.581(11) . . ?
Au3 Au2 Au8 108.832(13) . . ?
Au3 Au2 Au9 120.195(14) . . ?
Au3 Au2 Au10 105.297(14) . 3_666 ?
Au3 Au2 Au13 114.147(13) . . ?
Au4 Au2 Au1 117.916(13) . . ?
Au4 Au2 Au8 105.325(14) . . ?
Au4 Au2 Au9 171.223(15) . . ?
Au4 Au2 Au10 55.638(11) . 3_666 ?
Au4 Au2 Au13 59.536(10) . . ?
Au5 Au2 Au1 60.908(11) 3_666 . ?
Au5 Au2 Au3 62.610(11) 3_666 . ?
Au5 Au2 Au4 110.993(14) 3_666 . ?
Au5 Au2 Au8 61.376(11) 3_666 . ?
Au5 Au2 Au9 64.698(12) 3_666 . ?
Au5 Au2 Au10 109.842(14) 3_666 3_666 ?
Au5 Au2 Au13 167.080(17) 3_666 . ?
Au7 Au2 Au1 110.793(11) . . ?
Au7 Au2 Au3 59.198(9) . . ?
Au7 Au2 Au4 58.747(9) . . ?
Au7 Au2 Au5 60.230(10) . 3_666 ?
Au7 Au2 Au8 56.599(9) . . ?
Au7 Au2 Au9 113.412(12) . . ?
Au7 Au2 Au10 56.936(9) . 3_666 ?
Au7 Au2 Au13 107.032(13) . . ?
Au8 Au2 Au1 116.535(13) . . ?
Au8 Au2 Au13 110.858(14) . . ?
Au9 Au2 Au1 67.490(11) . . ?
Au9 Au2 Au8 65.944(12) . . ?
Au9 Au2 Au13 123.273(13) . . ?
Au10 Au2 Au1 167.558(14) 3_666 . ?
Au10 Au2 Au8 60.082(11) 3_666 . ?
Au10 Au2 Au9 117.587(13) 3_666 . ?
Au10 Au2 Au13 58.001(11) 3_666 . ?
S7 Au2 Au1 97.91(6) . . ?
S7 Au2 Au3 133.44(5) . . ?
S7 Au2 Au4 101.08(6) . . ?
S7 Au2 Au5 147.09(6) . 3_666 ?
S7 Au2 Au7 150.18(6) . . ?
S7 Au2 Au8 117.48(5) . . ?
S7 Au2 Au9 84.45(6) . . ?
S7 Au2 Au10 93.98(6) . 3_666 ?
S7 Au2 Au13 44.74(6) . . ?
Au1 Au3 Au11 123.759(14) . . ?
Au2 Au3 Au1 62.405(12) . . ?
Au2 Au3 Au4 59.779(11) . . ?
Au2 Au3 Au5 56.995(10) . 3_666 ?
Au2 Au3 Au10 104.333(12) . . ?
Au2 Au3 Au11 166.988(14) . . ?
Au2 Au3 Au12 118.218(14) . . ?
Au4 Au3 Au1 116.166(14) . . ?
Au4 Au3 Au5 105.856(12) . 3_666 ?
Au4 Au3 Au10 109.494(14) . . ?
Au4 Au3 Au11 118.652(15) . . ?
Au4 Au3 Au12 66.080(11) . . ?
Au5 Au3 Au1 58.971(11) 3_666 . ?
Au5 Au3 Au10 57.724(11) 3_666 . ?
Au5 Au3 Au11 114.532(13) 3_666 . ?
Au5 Au3 Au12 171.174(16) 3_666 . ?
Au7 Au3 Au1 108.955(11) . . ?
Au7 Au3 Au2 58.067(9) . . ?
Au7 Au3 Au4 58.115(9) . . ?
Au7 Au3 Au5 57.884(9) . 3_666 ?
Au7 Au3 Au10 57.362(8) . . ?
Au7 Au3 Au11 109.471(12) . . ?
Au7 Au3 Au12 113.436(14) . . ?
Au8 Au3 Au1 168.358(14) 3_666 . ?
Au8 Au3 Au2 109.439(14) 3_666 . ?
Au8 Au3 Au4 61.326(12) 3_666 . ?
Au8 Au3 Au5 109.946(14) 3_666 3_666 ?
Au8 Au3 Au7 59.663(9) 3_666 . ?
Au8 Au3 Au10 63.997(12) 3_666 . ?
Au8 Au3 Au11 62.453(12) 3_666 . ?
Au8 Au3 Au12 63.549(12) 3_666 . ?
Au10 Au3 Au1 108.685(13) . . ?
Au10 Au3 Au11 63.317(10) . . ?
Au10 Au3 Au12 120.338(15) . . ?
Au12 Au3 Au1 127.005(14) . . ?
Au12 Au3 Au11 68.642(11) . . ?
S1 Au3 Au1 45.63(6) . . ?
S1 Au3 Au2 107.57(6) . . ?
S1 Au3 Au4 145.77(5) . . ?
S1 Au3 Au5 88.29(5) . 3_666 ?
S1 Au3 Au7 146.09(5) . . ?
S1 Au3 Au8 142.91(6) . 3_666 ?
S1 Au3 Au10 104.43(5) . . ?
S1 Au3 Au11 80.71(6) . . ?
S1 Au3 Au12 100.44(5) . . ?
Au2 Au4 Au3 59.640(11) . . ?
Au2 Au4 Au5 108.849(13) . . ?
Au2 Au4 Au6 122.857(13) . . ?
Au2 Au4 Au8 105.458(13) . 3_666 ?
Au2 Au4 Au12 112.028(14) . . ?
Au2 Au4 Au13 66.229(12) . . ?
Au3 Au4 Au5 106.272(13) . . ?
Au3 Au4 Au6 168.737(15) . . ?
Au3 Au4 Au12 59.108(11) . . ?
Au3 Au4 Au13 119.238(15) . . ?
Au5 Au4 Au6 62.487(11) . . ?
Au5 Au4 Au12 113.792(14) . . ?
Au5 Au4 Au13 115.730(13) . . ?
Au6 Au4 Au12 123.133(14) . . ?
Au7 Au4 Au2 58.199(9) . . ?
Au7 Au4 Au3 58.690(8) . . ?
Au7 Au4 Au5 57.520(8) . . ?
Au7 Au4 Au6 112.126(12) . . ?
Au7 Au4 Au8 58.175(9) . 3_666 ?
Au7 Au4 Au12 108.130(11) . . ?
Au7 Au4 Au13 111.988(12) . . ?
Au8 Au4 Au3 56.531(11) 3_666 . ?
Au8 Au4 Au5 60.765(11) 3_666 . ?
Au8 Au4 Au6 113.853(16) 3_666 . ?
Au8 Au4 Au12 59.531(10) 3_666 . ?
Au8 Au4 Au13 170.144(14) 3_666 . ?
Au10 Au4 Au2 64.600(12) 3_666 . ?
Au10 Au4 Au3 111.699(13) 3_666 . ?
Au10 Au4 Au5 59.285(12) 3_666 . ?
Au10 Au4 Au6 64.183(11) 3_666 . ?
Au10 Au4 Au7 59.934(8) 3_666 . ?
Au10 Au4 Au8 109.325(13) 3_666 3_666 ?
Au10 Au4 Au12 167.898(14) 3_666 . ?
Au10 Au4 Au13 62.865(11) 3_666 . ?
Au13 Au4 Au6 69.177(12) . . ?
Au13 Au4 Au12 127.584(13) . . ?
S4 Au4 Au2 126.97(6) . . ?
S4 Au4 Au3 99.20(6) . . ?
S4 Au4 Au5 124.06(6) . . ?
S4 Au4 Au6 87.53(6) . . ?
S4 Au4 Au7 153.01(5) . . ?
S4 Au4 Au8 97.61(6) . 3_666 ?
S4 Au4 Au10 146.75(5) . 3_666 ?
S4 Au4 Au12 45.00(5) . . ?
S4 Au4 Au13 91.84(6) . . ?
Au1 Au5 Au6 123.400(14) 3_666 . ?
Au1 Au5 Au9 68.016(11) 3_666 3_666 ?
Au2 Au5 Au1 65.706(12) 3_666 3_666 ?
Au2 Au5 Au3 60.394(11) 3_666 3_666 ?
Au2 Au5 Au4 109.286(14) 3_666 . ?
Au2 Au5 Au6 169.759(17) 3_666 . ?
Au2 Au5 Au8 63.439(11) 3_666 3_666 ?
Au2 Au5 Au9 61.371(11) 3_666 3_666 ?
Au2 Au5 Au10 110.059(14) 3_666 3_666 ?
Au3 Au5 Au1 64.583(11) 3_666 3_666 ?
Au3 Au5 Au4 105.790(14) 3_666 . ?
Au3 Au5 Au6 117.438(14) 3_666 . ?
Au3 Au5 Au8 108.728(13) 3_666 3_666 ?
Au3 Au5 Au9 115.365(13) 3_666 3_666 ?
Au4 Au5 Au1 170.311(15) . 3_666 ?
Au4 Au5 Au6 60.960(11) . . ?
Au4 Au5 Au9 117.715(13) . 3_666 ?
Au7 Au5 Au1 114.027(12) . 3_666 ?
Au7 Au5 Au2 59.380(10) . 3_666 ?
Au7 Au5 Au3 58.197(9) . 3_666 ?
Au7 Au5 Au4 57.271(9) . . ?
Au7 Au5 Au6 110.588(13) . . ?
Au7 Au5 Au8 57.071(9) . 3_666 ?
Au7 Au5 Au9 110.038(12) . 3_666 ?
Au7 Au5 Au10 58.767(10) . 3_666 ?
Au8 Au5 Au1 122.577(14) 3_666 3_666 ?
Au8 Au5 Au4 57.958(11) 3_666 . ?
Au8 Au5 Au6 110.226(13) 3_666 . ?
Au8 Au5 Au9 65.482(11) 3_666 3_666 ?
Au9 Au5 Au6 124.703(14) 3_666 . ?
Au10 Au5 Au1 116.505(13) 3_666 3_666 ?
Au10 Au5 Au3 61.384(11) 3_666 3_666 ?
Au10 Au5 Au4 56.346(11) 3_666 . ?
Au10 Au5 Au6 62.648(11) 3_666 . ?
Au10 Au5 Au8 104.587(14) 3_666 3_666 ?
Au10 Au5 Au9 168.709(15) 3_666 3_666 ?
S5 Au5 Au1 90.41(7) . 3_666 ?
S5 Au5 Au2 143.32(7) . 3_666 ?
S5 Au5 Au3 135.18(9) . 3_666 ?
S5 Au5 Au4 97.81(7) . . ?
S5 Au5 Au6 45.96(7) . . ?
S5 Au5 Au7 154.67(7) . . ?
S5 Au5 Au8 116.09(9) . 3_666 ?
S5 Au5 Au9 84.47(8) . 3_666 ?
S5 Au5 Au10 105.41(8) . 3_666 ?
Au4 Au6 Au5 56.553(10) . . ?
Au4 Au6 Au10 52.155(10) . 3_666 ?
Au10 Au6 Au5 53.583(10) 3_666 . ?
S5 Au6 Au4 95.34(7) . . ?
S5 Au6 Au5 47.65(6) . . ?
S5 Au6 Au10 98.34(6) . 3_666 ?
S6 Au6 Au4 90.50(6) . . ?
S6 Au6 Au5 138.53(6) . . ?
S6 Au6 Au10 87.13(6) . 3_666 ?
S6 Au6 S5 173.68(9) . . ?
Au2 Au7 Au2 180.0 3_666 . ?
Au2 Au7 Au3 62.734(9) . . ?
Au2 Au7 Au3 117.266(9) . 3_666 ?
Au2 Au7 Au3 62.734(9) 3_666 3_666 ?
Au2 Au7 Au3 117.266(9) 3_666 . ?
Au2 Au7 Au4 63.057(10) 3_666 3_666 ?
Au2 Au7 Au4 116.944(10) 3_666 . ?
Au2 Au7 Au4 116.945(10) . 3_666 ?
Au2 Au7 Au4 63.054(10) . . ?
Au2 Au7 Au5 119.613(9) 3_666 3_666 ?
Au2 Au7 Au5 119.610(9) . . ?
Au2 Au7 Au5 60.389(10) . 3_666 ?
Au2 Au7 Au5 60.388(9) 3_666 . ?
Au2 Au7 Au10 66.395(10) . 3_666 ?
Au2 Au7 Au10 66.397(10) 3_666 . ?
Au2 Au7 Au10 113.604(10) 3_666 3_666 ?
Au2 Au7 Au10 113.605(10) . . ?
Au3 Au7 Au3 180.000(11) . 3_666 ?
Au4 Au7 Au3 116.806(10) . 3_666 ?
Au4 Au7 Au3 63.195(9) 3_666 3_666 ?
Au4 Au7 Au3 116.805(9) 3_666 . ?
Au4 Au7 Au3 63.195(9) . . ?
Au4 Au7 Au4 179.999(15) 3_666 . ?
Au4 Au7 Au5 114.792(10) 3_666 . ?
Au4 Au7 Au5 65.209(10) 3_666 3_666 ?
Au4 Au7 Au5 65.209(10) . . ?
Au4 Au7 Au5 114.791(10) . 3_666 ?
Au5 Au7 Au3 63.918(9) . 3_666 ?
Au5 Au7 Au3 116.082(10) 3_666 3_666 ?
Au5 Au7 Au3 116.082(10) . . ?
Au5 Au7 Au3 63.918(9) 3_666 . ?
Au5 Au7 Au5 179.999(11) 3_666 . ?
Au8 Au7 Au2 66.787(10) 3_666 3_666 ?
Au8 Au7 Au2 113.213(10) . 3_666 ?
Au8 Au7 Au2 113.213(10) 3_666 . ?
Au8 Au7 Au2 66.788(10) . . ?
Au8 Au7 Au3 120.552(10) 3_666 3_666 ?
Au8 Au7 Au3 59.448(10) 3_666 . ?
Au8 Au7 Au3 120.553(10) . . ?
Au8 Au7 Au3 59.447(10) . 3_666 ?
Au8 Au7 Au4 63.085(10) . 3_666 ?
Au8 Au7 Au4 63.085(10) 3_666 . ?
Au8 Au7 Au4 116.915(10) 3_666 3_666 ?
Au8 Au7 Au4 116.915(10) . . ?
Au8 Au7 Au5 65.065(10) 3_666 . ?
Au8 Au7 Au5 114.935(10) 3_666 3_666 ?
Au8 Au7 Au5 114.934(10) . . ?
Au8 Au7 Au5 65.066(10) . 3_666 ?
Au8 Au7 Au8 179.999(12) 3_666 . ?
Au8 Au7 Au10 113.369(10) 3_666 3_666 ?
Au8 Au7 Au10 113.370(10) . . ?
Au8 Au7 Au10 66.630(10) . 3_666 ?
Au8 Au7 Au10 66.631(10) 3_666 . ?
Au10 Au7 Au3 115.543(9) 3_666 . ?
Au10 Au7 Au3 115.542(9) . 3_666 ?
Au10 Au7 Au3 64.458(9) 3_666 3_666 ?
Au10 Au7 Au3 64.457(9) . . ?
Au10 Au7 Au4 120.149(9) . . ?
Au10 Au7 Au4 59.851(9) . 3_666 ?
Au10 Au7 Au4 59.851(9) 3_666 . ?
Au10 Au7 Au4 120.149(9) 3_666 3_666 ?
Au10 Au7 Au5 118.068(10) 3_666 3_666 ?
Au10 Au7 Au5 61.931(10) 3_666 . ?
Au10 Au7 Au5 118.069(10) . . ?
Au10 Au7 Au5 61.932(10) . 3_666 ?
Au10 Au7 Au10 180.000(13) . 3_666 ?
Au2 Au8 Au9 56.881(11) . . ?
Au2 Au8 Au11 114.066(14) . 3_666 ?
Au2 Au8 Au12 170.608(15) . 3_666 ?
Au3 Au8 Au2 109.829(14) 3_666 . ?
Au3 Au8 Au4 62.143(12) 3_666 3_666 ?
Au3 Au8 Au5 111.146(14) 3_666 3_666 ?
Au3 Au8 Au7 60.889(10) 3_666 . ?
Au3 Au8 Au9 166.158(14) 3_666 . ?
Au3 Au8 Au10 61.409(12) 3_666 3_666 ?
Au3 Au8 Au11 66.009(13) 3_666 3_666 ?
Au3 Au8 Au12 63.154(12) 3_666 3_666 ?
Au4 Au8 Au2 105.336(13) 3_666 . ?
Au4 Au8 Au5 61.276(11) 3_666 3_666 ?
Au4 Au8 Au9 115.094(15) 3_666 . ?
Au4 Au8 Au10 108.180(14) 3_666 3_666 ?
Au4 Au8 Au11 122.570(16) 3_666 3_666 ?
Au4 Au8 Au12 66.200(11) 3_666 3_666 ?
Au5 Au8 Au2 55.183(10) 3_666 . ?
Au5 Au8 Au9 59.264(11) 3_666 . ?
Au5 Au8 Au10 104.590(12) 3_666 3_666 ?
Au5 Au8 Au11 168.161(15) 3_666 3_666 ?
Au5 Au8 Au12 120.041(14) 3_666 3_666 ?
Au7 Au8 Au2 56.613(9) . . ?
Au7 Au8 Au4 58.739(9) . 3_666 ?
Au7 Au8 Au5 57.862(9) . 3_666 ?
Au7 Au8 Au9 105.645(12) . . ?
Au7 Au8 Au10 56.825(9) . 3_666 ?
Au7 Au8 Au11 113.173(14) . 3_666 ?
Au7 Au8 Au12 114.109(14) . 3_666 ?
Au10 Au8 Au2 59.780(11) 3_666 . ?
Au10 Au8 Au9 109.534(13) 3_666 . ?
Au10 Au8 Au11 63.734(11) 3_666 3_666 ?
Au10 Au8 Au12 117.759(16) 3_666 3_666 ?
Au11 Au8 Au9 121.061(14) 3_666 . ?
Au12 Au8 Au9 129.506(15) 3_666 . ?
Au12 Au8 Au11 69.755(12) 3_666 3_666 ?
S8 Au8 Au2 96.13(6) . . ?
S8 Au8 Au3 149.65(6) . 3_666 ?
S8 Au8 Au4 126.54(6) . 3_666 ?
S8 Au8 Au5 96.35(6) . 3_666 ?
S8 Au8 Au7 149.38(6) . . ?
S8 Au8 Au9 43.73(6) . . ?
S8 Au8 Au10 124.84(6) . 3_666 ?
S8 Au8 Au11 89.52(6) . 3_666 ?
S8 Au8 Au12 92.43(6) . 3_666 ?
Au2 Au9 Au5 53.931(10) . 3_666 ?
Au2 Au9 Au8 57.175(11) . . ?
Au5 Au9 Au8 55.252(11) 3_666 . ?
S8 Au9 Au2 97.28(6) . . ?
S8 Au9 Au5 93.53(6) . 3_666 ?
S8 Au9 Au8 44.70(6) . . ?
S8 Au9 S9 171.70(9) . . ?
S9 Au9 Au2 87.51(7) . . ?
S9 Au9 Au5 94.77(7) . 3_666 ?
S9 Au9 Au8 142.30(7) . . ?
Au2 Au10 Au6 118.101(13) 3_666 3_666 ?
Au2 Au10 Au8 60.136(11) 3_666 3_666 ?
Au2 Au10 Au11 110.688(14) 3_666 . ?
Au2 Au10 Au13 64.906(11) 3_666 3_666 ?
Au3 Au10 Au2 104.592(13) . 3_666 ?
Au3 Au10 Au6 117.992(15) . 3_666 ?
Au3 Au10 Au8 54.595(11) . 3_666 ?
Au3 Au10 Au11 62.042(10) . . ?
Au3 Au10 Au13 169.490(16) . 3_666 ?
Au4 Au10 Au2 59.764(12) 3_666 3_666 ?
Au4 Au10 Au3 111.657(13) 3_666 . ?
Au4 Au10 Au5 64.369(12) 3_666 3_666 ?
Au4 Au10 Au6 63.662(12) 3_666 3_666 ?
Au4 Au10 Au7 60.216(9) 3_666 . ?
Au4 Au10 Au8 108.712(14) 3_666 3_666 ?
Au4 Au10 Au11 168.054(15) 3_666 . ?
Au4 Au10 Au13 63.517(11) 3_666 3_666 ?
Au5 Au10 Au2 109.022(13) 3_666 3_666 ?
Au5 Au10 Au3 60.892(11) 3_666 . ?
Au5 Au10 Au6 63.771(12) 3_666 3_666 ?
Au5 Au10 Au8 104.906(12) 3_666 3_666 ?
Au5 Au10 Au11 116.170(14) 3_666 . ?
Au5 Au10 Au13 120.712(13) 3_666 3_666 ?
Au6 Au10 Au11 127.962(14) 3_666 . ?
Au7 Au10 Au2 56.669(9) . 3_666 ?
Au7 Au10 Au3 58.181(8) . . ?
Au7 Au10 Au5 59.301(9) . 3_666 ?
Au7 Au10 Au6 111.930(12) . 3_666 ?
Au7 Au10 Au8 56.545(8) . 3_666 ?
Au7 Au10 Au11 109.081(11) . . ?
Au7 Au10 Au13 112.742(12) . 3_666 ?
Au8 Au10 Au6 167.994(14) 3_666 3_666 ?
Au8 Au10 Au11 59.354(11) 3_666 . ?
Au8 Au10 Au13 116.848(15) 3_666 3_666 ?
Au13 Au10 Au6 69.212(12) 3_666 3_666 ?
Au13 Au10 Au11 120.740(13) 3_666 . ?
S2 Au10 Au2 115.57(6) . 3_666 ?
S2 Au10 Au3 104.11(5) . . ?
S2 Au10 Au4 143.96(5) . 3_666 ?
S2 Au10 Au5 135.34(6) . 3_666 ?
S2 Au10 Au6 95.92(6) . 3_666 ?
S2 Au10 Au7 151.54(6) . . ?
S2 Au10 Au8 95.26(6) . 3_666 ?
S2 Au10 Au11 44.74(5) . . ?
S2 Au10 Au13 81.89(6) . 3_666 ?
Au3 Au11 Au10 54.641(9) . . ?
Au8 Au11 Au3 51.538(10) 3_666 . ?
Au8 Au11 Au10 56.911(10) 3_666 . ?
S2 Au11 Au3 98.56(5) . . ?
S2 Au11 Au8 94.49(5) . 3_666 ?
S2 Au11 Au10 46.40(5) . . ?
S3 Au11 Au3 84.78(6) . . ?
S3 Au11 Au8 91.67(6) . 3_666 ?
S3 Au11 Au10 138.21(6) . . ?
S3 Au11 S2 173.81(9) . . ?
Au3 Au12 Au4 54.812(10) . . ?
Au3 Au12 Au8 53.297(11) . 3_666 ?
Au8 Au12 Au4 54.270(10) 3_666 . ?
S3 Au12 Au3 88.39(7) . . ?
S3 Au12 Au4 140.01(6) . . ?
S3 Au12 Au8 92.82(6) . 3_666 ?
S3 Au12 S4 172.96(8) . . ?
S4 Au12 Au3 96.56(5) . . ?
S4 Au12 Au4 46.50(5) . . ?
S4 Au12 Au8 94.15(5) . 3_666 ?
Au4 Au13 Au2 54.235(10) . . ?
Au10 Au13 Au2 57.094(10) 3_666 . ?
Au10 Au13 Au4 53.619(10) 3_666 . ?
S6 Au13 Au2 141.95(6) . . ?
S6 Au13 Au4 92.35(6) . . ?
S6 Au13 Au10 89.68(6) . 3_666 ?
S6 Au13 S7 169.90(8) . . ?
S7 Au13 Au2 46.37(5) . . ?
S7 Au13 Au4 97.55(5) . . ?
S7 Au13 Au10 94.53(5) . 3_666 ?
Au1 S1 Au3 86.82(7) . . ?
C1 S1 Au1 103.6(3) . . ?
C1 S1 Au3 118.2(3) . . ?
Au11 S2 Au10 88.86(7) . . ?
C9 S2 Au10 105.4(3) . . ?
C9 S2 Au11 104.3(3) . . ?
Au12 S3 Au11 101.70(8) . . ?
C17 S3 Au11 104.3(9) . . ?
C17 S3 Au12 97.8(7) . . ?
C17A S3 Au11 109.0(7) . . ?
C17A S3 Au12 116.5(8) . . ?
Au12 S4 Au4 88.49(7) . . ?
C25 S4 Au4 106.2(3) . . ?
C25 S4 Au12 105.1(3) . . ?
Au6 S5 Au5 86.38(10) . . ?
C33 S5 Au5 120.5(7) . . ?
C33 S5 Au6 115.1(7) . . ?
C33A S5 Au5 97.9(8) . . ?
C33A S5 Au6 96.9(8) . . ?
Au13 S6 Au6 101.23(8) . . ?
C41 S6 Au6 104.6(3) . . ?
C41 S6 Au13 107.2(3) . . ?
Au13 S7 Au2 88.89(8) . . ?
C49 S7 Au2 105.2(3) . . ?
C49 S7 Au13 101.0(3) . . ?
Au9 S8 Au8 91.57(8) . . ?
C57 S8 Au8 99.9(7) . . ?
C57 S8 Au9 103.5(8) . . ?
C57A S8 Au8 115.0(11) . . ?
C57A S8 Au9 111.5(11) . . ?
Au1 S9 Au9 97.76(10) . . ?
C65 S9 Au1 113.2(8) . . ?
C65 S9 Au9 106.5(9) . . ?
C65A S9 Au1 98.7(8) . . ?
C65A S9 Au9 98.4(9) . . ?
S1 C1 H1A 109.7 . . ?
S1 C1 H1B 109.7 . . ?
H1A C1 H1B 108.2 . . ?
C2 C1 S1 109.6(6) . . ?
C2 C1 H1A 109.7 . . ?
C2 C1 H1B 109.7 . . ?
C1 C2 H2A 108.7 . . ?
C1 C2 H2B 108.7 . . ?
C1 C2 C3 114.3(8) . . ?
H2A C2 H2B 107.6 . . ?
C3 C2 H2A 108.7 . . ?
C3 C2 H2B 108.7 . . ?
C4 C3 C2 120.2(9) . . ?
C8 C3 C2 122.4(9) . . ?
C8 C3 C4 117.2(9) . . ?
C3 C4 H4 119.7 . . ?
C3 C4 C5 120.6(10) . . ?
C5 C4 H4 119.7 . . ?
C4 C5 H5 119.6 . . ?
C6 C5 C4 120.8(10) . . ?
C6 C5 H5 119.6 . . ?
C5 C6 H6 120.6 . . ?
C7 C6 C5 118.9(10) . . ?
C7 C6 H6 120.6 . . ?
C6 C7 H7 119.2 . . ?
C6 C7 C8 121.5(10) . . ?
C8 C7 H7 119.2 . . ?
C3 C8 C7 120.9(9) . . ?
C3 C8 H8 119.5 . . ?
C7 C8 H8 119.5 . . ?
S2 C9 H9A 109.4 . . ?
S2 C9 H9B 109.4 . . ?
H9A C9 H9B 108.0 . . ?
C10 C9 S2 111.0(8) . . ?
C10 C9 H9A 109.4 . . ?
C10 C9 H9B 109.4 . . ?
C9 C10 H10A 109.2 . . ?
C9 C10 H10B 109.2 . . ?
H10A C10 H10B 107.9 . . ?
C11 C10 C9 111.8(10) . . ?
C11 C10 H10A 109.2 . . ?
C11 C10 H10B 109.2 . . ?
C12 C11 C10 119.8(11) . . ?
C16 C11 C10 123.0(12) . . ?
C16 C11 C12 117.1(13) . . ?
C11 C12 H12 118.9 . . ?
C11 C12 C13 122.1(13) . . ?
C13 C12 H12 118.9 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.5(16) . . ?
C14 C13 H13 120.3 . . ?
C13 C14 H14 119.8 . . ?
C13 C14 C15 120.4(15) . . ?
C15 C14 H14 119.8 . . ?
C14 C15 H15 120.1 . . ?
C14 C15 C16 119.9(14) . . ?
C16 C15 H15 120.1 . . ?
C11 C16 C15 121.0(14) . . ?
C11 C16 H16 119.5 . . ?
C15 C16 H16 119.5 . . ?
S3 C17 H17A 110.5 . . ?
S3 C17 H17B 110.5 . . ?
H17A C17 H17B 108.7 . . ?
C18 C17 S3 106(2) . . ?
C18 C17 H17A 110.5 . . ?
C18 C17 H17B 110.5 . . ?
S3 C17A H17C 107.8 . . ?
S3 C17A H17D 107.8 . . ?
H17C C17A H17D 107.1 . . ?
C18A C17A S3 118.0(14) . . ?
C18A C17A H17C 107.8 . . ?
C18A C17A H17D 107.8 . . ?
C17 C18 H18A 107.4 . . ?
C17 C18 H18B 107.4 . . ?
H18A C18 H18B 106.9 . . ?
C19 C18 C17 120(3) . . ?
C19 C18 H18A 107.4 . . ?
C19 C18 H18B 107.4 . . ?
C17A C18A H18C 108.7 . . ?
C17A C18A H18D 108.7 . . ?
C17A C18A C20A 114.3(17) . . ?
H18C C18A H18D 107.6 . . ?
C20A C18A H18C 108.7 . . ?
C20A C18A H18D 108.7 . . ?
C20 C19 C18 115(3) . . ?
C24 C19 C18 122(3) . . ?
C24 C19 C20 123(4) . . ?
C20A C19A H19A 117.9 . . ?
C20A C19A C23A 124(2) . . ?
C23A C19A H19A 117.9 . . ?
C19 C20 H20 124.6 . . ?
C19 C20 C21 111(3) . . ?
C21 C20 H20 124.6 . . ?
C19A C20A C18A 115(2) . . ?
C19A C20A C24A 115(2) . . ?
C24A C20A C18A 129(2) . . ?
C20 C21 H21 117.9 . . ?
C22 C21 C20 124(3) . . ?
C22 C21 H21 117.9 . . ?
C22A C21A H21A 119.2 . . ?
C23A C21A H21A 119.2 . . ?
C23A C21A C22A 122(2) . . ?
C21 C22 H22 122.6 . . ?
C23 C22 C21 115(4) . . ?
C23 C22 H22 122.6 . . ?
C21A C22A H22A 121.9 . . ?
C21A C22A C24A 116(3) . . ?
C24A C22A H22A 121.9 . . ?
C22 C23 H23 118.4 . . ?
C22 C23 C24 123(4) . . ?
C24 C23 H23 118.4 . . ?
C19A C23A H23A 118.7 . . ?
C21A C23A C19A 123(3) . . ?
C21A C23A H23A 118.7 . . ?
C19 C24 C23 120(3) . . ?
C19 C24 H24 120.2 . . ?
C23 C24 H24 120.2 . . ?
C20A C24A H24A 121.6 . . ?
C22A C24A C20A 117(3) . . ?
C22A C24A H24A 121.6 . . ?
S4 C25 H25A 108.4 . . ?
S4 C25 H25B 108.4 . . ?
H25A C25 H25B 107.5 . . ?
C26 C25 S4 115.5(6) . . ?
C26 C25 H25A 108.4 . . ?
C26 C25 H25B 108.4 . . ?
C25 C26 H26A 109.2 . . ?
C25 C26 H26B 109.2 . . ?
H26A C26 H26B 107.9 . . ?
C27 C26 C25 112.0(7) . . ?
C27 C26 H26A 109.2 . . ?
C27 C26 H26B 109.2 . . ?
C28 C27 C26 120.6(9) . . ?
C32 C27 C26 121.9(9) . . ?
C32 C27 C28 117.5(10) . . ?
C27 C28 H28 118.9 . . ?
C29 C28 C27 122.1(11) . . ?
C29 C28 H28 118.9 . . ?
C28 C29 H29 120.6 . . ?
C28 C29 C30 118.9(12) . . ?
C30 C29 H29 120.6 . . ?
C29 C30 H30 119.6 . . ?
C29 C30 C31 120.7(12) . . ?
C31 C30 H30 119.6 . . ?
C30 C31 H31 121.3 . . ?
C32 C31 C30 117.5(12) . . ?
C32 C31 H31 121.3 . . ?
C27 C32 C31 123.2(11) . . ?
C27 C32 H32 118.4 . . ?
C31 C32 H32 118.4 . . ?
S5 C33 H33A 109.2 . . ?
S5 C33 H33B 109.2 . . ?
H33A C33 H33B 107.9 . . ?
C34 C33 S5 112.2(18) . . ?
C34 C33 H33A 109.2 . . ?
C34 C33 H33B 109.2 . . ?
S5 C33A H33C 109.1 . . ?
S5 C33A H33D 109.1 . . ?
H33C C33A H33D 107.8 . . ?
C34A C33A S5 112.7(17) . . ?
C34A C33A H33C 109.1 . . ?
C34A C33A H33D 109.1 . . ?
C33 C34 H34A 109.1 . . ?
C33 C34 H34B 109.1 . . ?
C33 C34 C35 112(2) . . ?
H34A C34 H34B 107.9 . . ?
C35 C34 H34A 109.1 . . ?
C35 C34 H34B 109.1 . . ?
C33A C34A H34C 109.1 . . ?
C33A C34A H34D 109.1 . . ?
H34C C34A H34D 107.9 . . ?
C35A C34A C33A 112(2) . . ?
C35A C34A H34C 109.1 . . ?
C35A C34A H34D 109.1 . . ?
C40 C35 C34 118.7(14) . . ?
C40 C35 C36 120.0 . . ?
C36 C35 C34 121.2(14) . . ?
C35 C40 H40 120.0 . . ?
C39 C40 C35 120.0 . . ?
C39 C40 H40 120.0 . . ?
C40 C39 H39 120.0 . . ?
C38 C39 C40 120.0 . . ?
C38 C39 H39 120.0 . . ?
C39 C38 H38 120.0 . . ?
C39 C38 C37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C37 H37 120.0 . . ?
C36 C37 C38 120.0 . . ?
C36 C37 H37 120.0 . . ?
C35 C36 H36 120.0 . . ?
C37 C36 C35 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36A C35A C34A 127(3) . . ?
C40A C35A C34A 118(3) . . ?
C40A C35A C36A 114(3) . . ?
C35A C36A H36A 116.9 . . ?
C37A C36A C35A 126(3) . . ?
C37A C36A H36A 116.9 . . ?
C36A C37A H37A 120.4 . . ?
C36A C37A C38A 119(3) . . ?
C38A C37A H37A 120.4 . . ?
C37A C38A H38A 120.8 . . ?
C37A C38A C39A 118(3) . . ?
C39A C38A H38A 120.8 . . ?
C38A C39A H39A 119.3 . . ?
C38A C39A C40A 121(3) . . ?
C40A C39A H39A 119.3 . . ?
C35A C40A C39A 120(3) . . ?
C35A C40A H40A 119.9 . . ?
C39A C40A H40A 119.9 . . ?
S6 C41 H41A 109.4 . . ?
S6 C41 H41B 109.4 . . ?
H41A C41 H41B 108.0 . . ?
C42 C41 S6 111.3(7) . . ?
C42 C41 H41A 109.4 . . ?
C42 C41 H41B 109.4 . . ?
C41 C42 H42A 108.5 . . ?
C41 C42 H42B 108.5 . . ?
H42A C42 H42B 107.5 . . ?
C43 C42 C41 114.9(8) . . ?
C43 C42 H42A 108.5 . . ?
C43 C42 H42B 108.5 . . ?
C44 C43 C42 123.5(11) . . ?
C44 C43 C48 115.2(12) . . ?
C48 C43 C42 121.4(11) . . ?
C43 C44 H44 118.5 . . ?
C43 C44 C45 122.9(14) . . ?
C45 C44 H44 118.5 . . ?
C44 C45 H45 122.5 . . ?
C46 C45 C44 115.1(16) . . ?
C46 C45 H45 122.5 . . ?
C45 C46 H46 116.8 . . ?
C47 C46 C45 126.3(19) . . ?
C47 C46 H46 116.8 . . ?
C46 C47 H47 122.3 . . ?
C46 C47 C48 115.4(18) . . ?
C48 C47 H47 122.3 . . ?
C43 C48 H48 117.6 . . ?
C47 C48 C43 124.9(16) . . ?
C47 C48 H48 117.6 . . ?
S7 C49 H49A 108.9 . . ?
S7 C49 H49B 108.9 . . ?
H49A C49 H49B 107.8 . . ?
C50 C49 S7 113.2(6) . . ?
C50 C49 H49A 108.9 . . ?
C50 C49 H49B 108.9 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 108.1 . . ?
C51 C50 C49 110.8(7) . . ?
C51 C50 H50A 109.5 . . ?
C51 C50 H50B 109.5 . . ?
C52 C51 C50 120.9(12) . . ?
C52 C51 C56 117.5(11) . . ?
C56 C51 C50 121.5(11) . . ?
C51 C52 H52 118.3 . . ?
C51 C52 C53 123.4(15) . . ?
C53 C52 H52 118.3 . . ?
C52 C53 H53 122.7 . . ?
C54 C53 C52 114.5(16) . . ?
C54 C53 H53 122.7 . . ?
C53 C54 H54 117.3 . . ?
C55 C54 C53 125.5(16) . . ?
C55 C54 H54 117.3 . . ?
C54 C55 H55 121.9 . . ?
C54 C55 C56 116.3(19) . . ?
C56 C55 H55 121.9 . . ?
C51 C56 C55 122.8(17) . . ?
C51 C56 H56 118.6 . . ?
C55 C56 H56 118.6 . . ?
S8 C57 H57A 109.9 . . ?
S8 C57 H57B 109.9 . . ?
H57A C57 H57B 108.3 . . ?
C58 C57 S8 109.0(15) . . ?
C58 C57 H57A 109.9 . . ?
C58 C57 H57B 109.9 . . ?
S8 C57A H57C 108.6 . . ?
S8 C57A H57D 108.6 . . ?
H57C C57A H57D 107.6 . . ?
C58A C57A S8 114(2) . . ?
C58A C57A H57C 108.6 . . ?
C58A C57A H57D 108.6 . . ?
C57 C58 H58A 108.3 . . ?
C57 C58 H58B 108.3 . . ?
H58A C58 H58B 107.4 . . ?
C59 C58 C57 115.7(18) . . ?
C59 C58 H58A 108.3 . . ?
C59 C58 H58B 108.3 . . ?
C57A C58A H58C 110.4 . . ?
C57A C58A H58D 110.4 . . ?
C57A C58A C59A 107(2) . . ?
H58C C58A H58D 108.6 . . ?
C59A C58A H58C 110.4 . . ?
C59A C58A H58D 110.4 . . ?
C60 C59 C58 117.5(15) . . ?
C60 C59 C64 120.0 . . ?
C64 C59 C58 122.5(15) . . ?
C59 C60 H60 120.0 . . ?
C59 C60 C61 120.0 . . ?
C61 C60 H60 120.0 . . ?
C60 C61 H61 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 H61 120.0 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 C61 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C62 C63 C64 120.0 . . ?
C64 C63 H63 120.0 . . ?
C59 C64 H64 120.0 . . ?
C63 C64 C59 120.0 . . ?
C63 C64 H64 120.0 . . ?
C60A C59A C58A 118.6(19) . . ?
C60A C59A C64A 120.0 . . ?
C64A C59A C58A 120.8(19) . . ?
C59A C60A H60A 120.0 . . ?
C59A C60A C61A 120.0 . . ?
C61A C60A H60A 120.0 . . ?
C60A C61A H61A 120.0 . . ?
C60A C61A C62A 120.0 . . ?
C62A C61A H61A 120.0 . . ?
C61A C62A H62A 120.0 . . ?
C63A C62A C61A 120.0 . . ?
C63A C62A H62A 120.0 . . ?
C62A C63A H63A 120.0 . . ?
C64A C63A C62A 120.0 . . ?
C64A C63A H63A 120.0 . . ?
C59A C64A H64A 120.0 . . ?
C63A C64A C59A 120.0 . . ?
C63A C64A H64A 120.0 . . ?
S9 C65 H65A 108.3 . . ?
S9 C65 H65B 108.3 . . ?
H65A C65 H65B 107.4 . . ?
C66 C65 S9 115.8(17) . . ?
C66 C65 H65A 108.3 . . ?
C66 C65 H65B 108.3 . . ?
S9 C65A H65C 107.2 . . ?
S9 C65A H65D 107.2 . . ?
H65C C65A H65D 106.8 . . ?
C66A C65A S9 121(2) . . ?
C66A C65A H65C 107.2 . . ?
C66A C65A H65D 107.2 . . ?
C65 C66 H66A 108.9 . . ?
C65 C66 H66B 108.9 . . ?
H66A C66 H66B 107.7 . . ?
C67 C66 C65 113(2) . . ?
C67 C66 H66A 108.9 . . ?
C67 C66 H66B 108.9 . . ?
C65A C66A H66C 106.4 . . ?
C65A C66A H66D 106.4 . . ?
C65A C66A C67A 124(3) . . ?
H66C C66A H66D 106.5 . . ?
C67A C66A H66C 106.4 . . ?
C67A C66A H66D 106.4 . . ?
C66 C67 C68 120(2) . . ?
C66 C67 C71 121(3) . . ?
C71 C67 C68 119(2) . . ?
C71A C67A C66A 120(2) . . ?
C71A C67A C68A 120.0 . . ?
C68A C67A C66A 120(2) . . ?
C67A C71A H71A 120.0 . . ?
C72A C71A C67A 120.0 . . ?
C72A C71A H71A 120.0 . . ?
C71A C72A H72A 120.0 . . ?
C71A C72A C70A 120.0 . . ?
C70A C72A H72A 120.0 . . ?
C72A C70A H70A 120.0 . . ?
C72A C70A C69A 120.0 . . ?
C69A C70A H70A 120.0 . . ?
C70A C69A H69A 120.0 . . ?
C68A C69A C70A 120.0 . . ?
C68A C69A H69A 120.0 . . ?
C67A C68A H68A 120.0 . . ?
C69A C68A C67A 120.0 . . ?
C69A C68A H68A 120.0 . . ?
C67 C68 H68 121.0 . . ?
C69 C68 C67 118(3) . . ?
C69 C68 H68 121.0 . . ?
C68 C69 H69 117.2 . . ?
C68 C69 C70 126(3) . . ?
C70 C69 H69 117.2 . . ?
C69 C70 H70 121.4 . . ?
C69 C70 C72 117(3) . . ?
C72 C70 H70 121.4 . . ?
C67 C71 H71 120.3 . . ?
C72 C71 C67 119(3) . . ?
C72 C71 H71 120.3 . . ?
C70 C72 C71 120(3) . . ?
C70 C72 H72 120.1 . . ?
C71 C72 H72 120.1 . . ?

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
Au1 S1 C1 C2 -65.4(8) . . . . ?
Au1 S9 C65 C66 -57(2) . . . . ?
Au2 S7 C49 C50 152.2(7) . . . . ?
Au3 S1 C1 C2 -159.2(6) . . . . ?
Au4 S4 C25 C26 -61.1(7) . . . . ?
Au5 S5 C33 C34 -77.0(17) . . . . ?
Au6 S5 C33 C34 24.2(19) . . . . ?
Au6 S6 C41 C42 -82.9(7) . . . . ?
Au8 S8 C57 C58 -179.4(15) . . . . ?
Au8 S8 C57A C58A -66(3) . . . . ?
Au9 S8 C57 C58 -85.4(16) . . . . ?
Au9 S8 C57A C58A 37(3) . . . . ?
Au9 S9 C65 C66 -162.8(17) . . . . ?
Au10 S2 C9 C10 -173.7(7) . . . . ?
Au11 S2 C9 C10 93.5(7) . . . . ?
Au11 S3 C17A C18A -53(2) . . . . ?
Au12 S3 C17A C18A 61(2) . . . . ?
Au12 S4 C25 C26 31.8(7) . . . . ?
Au13 S6 C41 C42 170.1(6) . . . . ?
Au13 S7 C49 C50 60.3(8) . . . . ?
S1 C1 C2 C3 178.4(7) . . . . ?
S2 C9 C10 C11 178.1(8) . . . . ?
S3 C17 C18 C19 -179(2) . . . . ?
S3 C17A C18A C20A 173.9(16) . . . . ?
S4 C25 C26 C27 -174.7(6) . . . . ?
S5 C33 C34 C35 176.3(13) . . . . ?
S5 C33A C34A C35A -161(2) . . . . ?
S6 C41 C42 C43 64.9(10) . . . . ?
S7 C49 C50 C51 178.0(8) . . . . ?
S8 C57 C58 C59 -158.8(17) . . . . ?
S8 C57A C58A C59A -174(2) . . . . ?
S9 C65 C66 C67 176(2) . . . . ?
S9 C65A C66A C67A -171(2) . . . . ?
C1 C2 C3 C4 111.4(12) . . . . ?
C1 C2 C3 C8 -72.6(14) . . . . ?
C2 C3 C4 C5 176.3(11) . . . . ?
C2 C3 C8 C7 -177.9(11) . . . . ?
C3 C4 C5 C6 1(2) . . . . ?
C4 C3 C8 C7 -1.8(17) . . . . ?
C4 C5 C6 C7 0(2) . . . . ?
C5 C6 C7 C8 -2(2) . . . . ?
C6 C7 C8 C3 3(2) . . . . ?
C8 C3 C4 C5 0.2(17) . . . . ?
C9 C10 C11 C12 -68.5(14) . . . . ?
C9 C10 C11 C16 109.6(12) . . . . ?
C10 C11 C12 C13 178.9(12) . . . . ?
C10 C11 C16 C15 -178.7(11) . . . . ?
C11 C12 C13 C14 -1(2) . . . . ?
C12 C11 C16 C15 -0.5(18) . . . . ?
C12 C13 C14 C15 0(2) . . . . ?
C13 C14 C15 C16 0(2) . . . . ?
C14 C15 C16 C11 0(2) . . . . ?
C16 C11 C12 C13 1(2) . . . . ?
C17 C18 C19 C20 97(4) . . . . ?
C17 C18 C19 C24 -81(5) . . . . ?
C17A C18A C20A C19A 87(3) . . . . ?
C17A C18A C20A C24A -82(3) . . . . ?
C18 C19 C20 C21 168(3) . . . . ?
C18 C19 C24 C23 179(3) . . . . ?
C18A C20A C24A C22A -171(2) . . . . ?
C19 C20 C21 C22 25(6) . . . . ?
C19A C20A C24A C22A 20(4) . . . . ?
C20 C19 C24 C23 2(7) . . . . ?
C20 C21 C22 C23 -22(7) . . . . ?
C20A C19A C23A C21A 12(4) . . . . ?
C21 C22 C23 C24 7(7) . . . . ?
C21A C22A C24A C20A -9(4) . . . . ?
C22 C23 C24 C19 2(7) . . . . ?
C22A C21A C23A C19A 1(4) . . . . ?
C23A C19A C20A C18A 167(2) . . . . ?
C23A C19A C20A C24A -22(4) . . . . ?
C23A C21A C22A C24A -2(4) . . . . ?
C24 C19 C20 C21 -14(6) . . . . ?
C25 C26 C27 C28 65.1(10) . . . . ?
C25 C26 C27 C32 -116.7(10) . . . . ?
C26 C27 C28 C29 179.5(9) . . . . ?
C26 C27 C32 C31 179.9(10) . . . . ?
C27 C28 C29 C30 1.5(16) . . . . ?
C28 C27 C32 C31 -1.9(16) . . . . ?
C28 C29 C30 C31 -3.7(19) . . . . ?
C29 C30 C31 C32 3.1(19) . . . . ?
C30 C31 C32 C27 -0.2(18) . . . . ?
C32 C27 C28 C29 1.3(14) . . . . ?
C33 C34 C35 C40 78(2) . . . . ?
C33 C34 C35 C36 -99(2) . . . . ?
C33A C34A C35A C36A -37(5) . . . . ?
C33A C34A C35A C40A 142(3) . . . . ?
C34 C35 C40 C39 -178(2) . . . . ?
C34 C35 C36 C37 178(2) . . . . ?
C34A C35A C36A C37A 179(3) . . . . ?
C34A C35A C40A C39A 177(3) . . . . ?
C35 C40 C39 C38 0.0 . . . . ?
C40 C35 C36 C37 0.0 . . . . ?
C40 C39 C38 C37 0.0 . . . . ?
C39 C38 C37 C36 0.0 . . . . ?
C38 C37 C36 C35 0.0 . . . . ?
C36 C35 C40 C39 0.0 . . . . ?
C35A C36A C37A C38A 1(5) . . . . ?
C36A C35A C40A C39A -4(4) . . . . ?
C36A C37A C38A C39A 1(5) . . . . ?
C37A C38A C39A C40A -5(5) . . . . ?
C38A C39A C40A C35A 6(5) . . . . ?
C40A C35A C36A C37A 1(5) . . . . ?
C41 C42 C43 C44 59.6(13) . . . . ?
C41 C42 C43 C48 -120.3(10) . . . . ?
C42 C43 C44 C45 177.4(10) . . . . ?
C42 C43 C48 C47 -178.0(11) . . . . ?
C43 C44 C45 C46 4.1(19) . . . . ?
C44 C43 C48 C47 2.1(17) . . . . ?
C44 C45 C46 C47 -5(2) . . . . ?
C45 C46 C47 C48 5(3) . . . . ?
C46 C47 C48 C43 -3(2) . . . . ?
C48 C43 C44 C45 -2.6(16) . . . . ?
C49 C50 C51 C52 -69.9(14) . . . . ?
C49 C50 C51 C56 109.0(13) . . . . ?
C50 C51 C52 C53 177.7(11) . . . . ?
C50 C51 C56 C55 -178.7(14) . . . . ?
C51 C52 C53 C54 1(2) . . . . ?
C52 C51 C56 C55 0(2) . . . . ?
C52 C53 C54 C55 0(3) . . . . ?
C53 C54 C55 C56 -1(3) . . . . ?
C54 C55 C56 C51 1(3) . . . . ?
C56 C51 C52 C53 -1.3(19) . . . . ?
C57 C58 C59 C60 151.1(17) . . . . ?
C57 C58 C59 C64 -30(3) . . . . ?
C57A C58A C59A C60A 95(3) . . . . ?
C57A C58A C59A C64A -94(3) . . . . ?
C58 C59 C60 C61 179(2) . . . . ?
C58 C59 C64 C63 -179(2) . . . . ?
C58A C59A C60A C61A 171(2) . . . . ?
C58A C59A C64A C63A -171(2) . . . . ?
C59 C60 C61 C62 0.0 . . . . ?
C60 C59 C64 C63 0.0 . . . . ?
C60 C61 C62 C63 0.0 . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C63 C64 C59 0.0 . . . . ?
C64 C59 C60 C61 0.0 . . . . ?
C59A C60A C61A C62A 0.0 . . . . ?
C60A C59A C64A C63A 0.0 . . . . ?
C60A C61A C62A C63A 0.0 . . . . ?
C61A C62A C63A C64A 0.0 . . . . ?
C62A C63A C64A C59A 0.0 . . . . ?
C64A C59A C60A C61A 0.0 . . . . ?
C65 C66 C67 C68 68(3) . . . . ?
C65 C66 C67 C71 -106(3) . . . . ?
C65A C66A C67A C71A -13(4) . . . . ?
C65A C66A C67A C68A 161(3) . . . . ?
C66 C67 C68 C69 -168(3) . . . . ?
C66 C67 C71 C72 174(3) . . . . ?
C66A C67A C71A C72A 174(3) . . . . ?
C66A C67A C68A C69A -174(3) . . . . ?
C67 C68 C69 C70 -14(5) . . . . ?
C67 C71 C72 C70 -1(4) . . . . ?
C67A C71A C72A C70A 0.0 . . . . ?
C71A C67A C68A C69A 0.0 . . . . ?
C71A C72A C70A C69A 0.0 . . . . ?
C72A C70A C69A C68A 0.0 . . . . ?
C70A C69A C68A C67A 0.0 . . . . ?
C68A C67A C71A C72A 0.0 . . . . ?
C68 C67 C71 C72 0(4) . . . . ?
C68 C69 C70 C72 13(5) . . . . ?
C69 C70 C72 C71 -5(4) . . . . ?
C71 C67 C68 C69 6(4) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_cu_250222wqangz_au3_0m
_database_code_depnum_ccdc_archive 'CCDC 2538561'
loop_
_audit_author_name
_audit_author_address
'nan xia'
;Anhui Normal University
China
;
_audit_update_record             
;
2026-03-17 deposited with the CCDC.	2026-04-17 downloaded from the CCDC.
;
_audit_creation_date             2025-02-26
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2019/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C144 H162 Au25 S18, C0.25 H0.5 Cl0.5'
_chemical_formula_sum            'C144.25 H162.50 Au25 Cl0.50 S18'
_chemical_formula_weight         7415.20
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           56
_space_group_name_H-M_alt        'P c c n'
_space_group_name_Hall           '-P 2ab 2ac'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y+1/2, z'
'-x, y+1/2, -z+1/2'
'x+1/2, -y, -z+1/2'
'-x, -y, -z'
'x-1/2, y-1/2, -z'
'x, -y-1/2, z-1/2'
'-x-1/2, y, z-1/2'

_cell_length_a                   27.1121(12)
_cell_length_b                   31.5764(12)
_cell_length_c                   18.6459(8)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     15962.8(12)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9356
_cell_measurement_temperature    213.00
_cell_measurement_theta_max      68.268
_cell_measurement_theta_min      2.799
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    44.557
_exptl_absorpt_correction_T_max  0.1665
_exptl_absorpt_correction_T_min  0.0369
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1470 before and 0.0776 after correction.
The Ratio of minimum to maximum transmission is 0.2216.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    3.085
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             13198
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0825
_diffrn_reflns_av_unetI/netI     0.0392
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -38
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            136324
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         68.355
_diffrn_reflns_theta_min         2.148
_diffrn_ambient_temperature      213.00
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  Bruker
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.05500000000000001
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12986
_reflns_number_total             14588
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2019/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         2.053
_refine_diff_density_min         -1.792
_refine_diff_density_rms         0.242
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     901
_refine_ls_number_reflns         14588
_refine_ls_number_restraints     194
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0363
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0470P)²+54.1797P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0889
_refine_ls_wR_factor_ref         0.0917
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All C(H,H,H,H) groups
2. Restrained distances
 C55A-C54A = C54A-C53A
 1.4 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C50 \\sim C51 \\sim C51A \\sim C52 \\sim C52A \\sim C53 \\sim C53A \\sim C54
\\sim C54A \\sim C55 \\sim C55A \\sim C56 \\sim C56A: within 2A with sigma of
0.01 and sigma for terminal atoms of 0.02 within 2A
4. Others
 Sof(H50C)=Sof(H50D)=Sof(C51A)=Sof(C52A)=Sof(H52A)=Sof(C53A)=Sof(H53A)=
 Sof(C54A)=Sof(H54A)=Sof(C55A)=Sof(H55A)=Sof(C56A)=Sof(H56A)=1-FVAR(1)
 Sof(H50A)=Sof(H50B)=Sof(C51)=Sof(C52)=Sof(H52)=Sof(C53)=Sof(H53)=Sof(C54)=
 Sof(H54)=Sof(C55)=Sof(H55)=Sof(C56)=Sof(H56)=FVAR(1)
 Fixed Sof: Cl1(0.25) C73(0.125) H73A(0.125) H73B(0.125)
5.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B), C9(H9A,H9B), C10(H10A,H10B), C17(H17A,H17B),
 C18(H18A,H18B), C25(H25A,H25B), C26(H26A,H26B), C33(H33A,H33B), C34(H34A,H34B),
  C41(H41A,H41B), C42(H42A,H42B), C49(H49A,H49B), C50(H50A,H50B), C50(H50C,
 H50D), C57(H57A,H57B), C58(H58A,H58B), C65(H65A,H65B), C66(H66A,H66B),
 C73(H73A,H73B)
5.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C16(H16), C15(H15), C14(H14),
 C13(H13), C12(H12), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24), C28(H28),
  C29(H29), C30(H30), C31(H31), C32(H32), C36(H36), C37(H37), C38(H38),
 C39(H39), C40(H40), C44(H44), C45(H45), C46(H46), C47(H47), C48(H48), C52(H52),
  C52A(H52A), C53(H53), C53A(H53A), C54(H54), C54A(H54A), C55(H55), C55A(H55A),
 C56(H56), C56A(H56A), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64),
 C68(H68), C69(H69), C70(H70), C71(H71), C72(H72)
5.c Fitted hexagon refined as free rotating group:
 C11(C16,C15,C14,C13,C12)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.63526(2) 0.46167(2) 0.66529(2) 0.04298(9) Uani 1 1 d . . . . .
Au2 Au 0.60251(2) 0.49506(2) 0.51082(2) 0.04155(9) Uani 1 1 d . . . . .
Au3 Au 0.54965(2) 0.57657(2) 0.49487(2) 0.03858(9) Uani 1 1 d . . . . .
Au4 Au 0.45637(2) 0.56731(2) 0.57425(2) 0.03957(9) Uani 1 1 d . . . . .
Au5 Au 0.47852(2) 0.65410(2) 0.48415(2) 0.04072(9) Uani 1 1 d . . . . .
Au6 Au 0.500000 0.500000 0.500000 0.03092(10) Uani 1 2 d S . P . .
Au7 Au 0.45337(2) 0.47788(2) 0.37235(2) 0.03885(9) Uani 1 1 d . . . . .
Au8 Au 0.54983(2) 0.51465(2) 0.37078(2) 0.03932(9) Uani 1 1 d . . . . .
Au9 Au 0.64369(2) 0.45869(2) 0.35987(2) 0.04364(10) Uani 1 1 d . . . . .
Au10 Au 0.55473(2) 0.61340(2) 0.34241(2) 0.04451(10) Uani 1 1 d . . . . .
Au11 Au 0.53294(2) 0.44075(2) 0.25957(2) 0.04213(9) Uani 1 1 d . . . . .
Au12 Au 0.53530(2) 0.43433(2) 0.58557(2) 0.03829(9) Uani 1 1 d . . . . .
Au13 Au 0.64445(2) 0.56851(2) 0.60236(2) 0.04383(10) Uani 1 1 d . . . . .
S1 S 0.59490(8) 0.39780(6) 0.65595(13) 0.0452(5) Uani 1 1 d . . . . .
S2 S 0.68000(9) 0.52266(7) 0.68262(15) 0.0542(6) Uani 1 1 d . . . . .
S3 S 0.68143(8) 0.47806(8) 0.46619(14) 0.0497(5) Uani 1 1 d . . . . .
S4 S 0.61292(8) 0.62270(6) 0.53382(12) 0.0408(4) Uani 1 1 d . . . . .
S5 S 0.61710(8) 0.43579(6) 0.24868(13) 0.0452(5) Uani 1 1 d . . . . .
S6 S 0.44811(8) 0.44290(7) 0.25986(13) 0.0460(5) Uani 1 1 d . . . . .
S7 S 0.43358(8) 0.63966(6) 0.58552(12) 0.0419(5) Uani 1 1 d . . . . .
S8 S 0.51865(8) 0.67514(6) 0.38229(12) 0.0435(5) Uani 1 1 d . . . . .
S9 S 0.59440(9) 0.55731(7) 0.28722(13) 0.0474(5) Uani 1 1 d . . . . .
C1 C 0.5636(4) 0.3872(4) 0.7417(6) 0.059(3) Uani 1 1 d . . . . .
H1A H 0.544609 0.412235 0.755626 0.071 Uiso 1 1 calc R U . . .
H1B H 0.540371 0.363713 0.735087 0.071 Uiso 1 1 calc R U . . .
C2 C 0.5986(4) 0.3762(4) 0.8008(6) 0.062(3) Uani 1 1 d . . . . .
H2A H 0.617204 0.401479 0.814725 0.075 Uiso 1 1 calc R U . . .
H2B H 0.622131 0.354882 0.783739 0.075 Uiso 1 1 calc R U . . .
C3 C 0.5708(4) 0.3590(4) 0.8656(6) 0.067(3) Uani 1 1 d . . . . .
C4 C 0.5582(5) 0.3845(5) 0.9221(8) 0.087(4) Uani 1 1 d . . . . .
H4 H 0.568033 0.413080 0.921981 0.104 Uiso 1 1 calc R U . . .
C5 C 0.5310(6) 0.3689(7) 0.9799(9) 0.105(6) Uani 1 1 d . . . . .
H5 H 0.522005 0.386961 1.017651 0.126 Uiso 1 1 calc R U . . .
C6 C 0.5178(7) 0.3281(9) 0.9814(10) 0.135(9) Uani 1 1 d . . . . .
H6 H 0.498745 0.317804 1.019701 0.162 Uiso 1 1 calc R U . . .
C7 C 0.5323(8) 0.3006(7) 0.9264(11) 0.142(9) Uani 1 1 d . . . . .
H7 H 0.524695 0.271573 0.928698 0.170 Uiso 1 1 calc R U . . .
C8 C 0.5577(7) 0.3169(6) 0.8691(9) 0.114(6) Uani 1 1 d . . . . .
H8 H 0.566410 0.298787 0.831116 0.136 Uiso 1 1 calc R U . . .
C9 C 0.7413(4) 0.5124(4) 0.6427(8) 0.076(4) Uani 1 1 d . . . . .
H9A H 0.737538 0.495609 0.598805 0.091 Uiso 1 1 calc R U . . .
H9B H 0.757120 0.539254 0.630091 0.091 Uiso 1 1 calc R U . . .
C10 C 0.7740(4) 0.4879(3) 0.6975(7) 0.067(3) Uani 1 1 d . . . . .
H10A H 0.807748 0.486180 0.678866 0.080 Uiso 1 1 calc R U . . .
H10B H 0.775030 0.503696 0.742662 0.080 Uiso 1 1 calc R U . . .
C11 C 0.7561(3) 0.44524(19) 0.7117(4) 0.054(2) Uani 1 1 d G . . . .
C16 C 0.7453(3) 0.4371(3) 0.7832(4) 0.088(4) Uani 1 1 d G . . . .
H16 H 0.748197 0.458741 0.817493 0.105 Uiso 1 1 calc R U . . .
C15 C 0.7304(3) 0.3968(3) 0.8041(5) 0.111(6) Uani 1 1 d G . . . .
H15 H 0.723082 0.391262 0.852460 0.134 Uiso 1 1 calc R U . . .
C14 C 0.7262(3) 0.3647(2) 0.7534(7) 0.083(4) Uani 1 1 d G . . . .
H14 H 0.716024 0.337500 0.767486 0.099 Uiso 1 1 calc R U . . .
C13 C 0.7369(3) 0.3729(2) 0.6818(6) 0.106(6) Uani 1 1 d G . . . .
H13 H 0.734081 0.351217 0.647544 0.128 Uiso 1 1 calc R U . . .
C12 C 0.7519(3) 0.4132(3) 0.6610(4) 0.087(4) Uani 1 1 d G . . . .
H12 H 0.759195 0.418697 0.612576 0.105 Uiso 1 1 calc R U . . .
C17 C 0.7158(4) 0.5266(3) 0.4470(6) 0.061(3) Uani 1 1 d . . . . .
H17A H 0.719686 0.542478 0.491771 0.073 Uiso 1 1 calc R U . . .
H17B H 0.748832 0.518784 0.430299 0.073 Uiso 1 1 calc R U . . .
C18 C 0.6934(4) 0.5544(3) 0.3938(7) 0.064(3) Uani 1 1 d . . . . .
H18A H 0.662592 0.565869 0.413149 0.077 Uiso 1 1 calc R U . . .
H18B H 0.685412 0.537903 0.350890 0.077 Uiso 1 1 calc R U . . .
C19 C 0.7282(4) 0.5919(3) 0.3725(6) 0.053(2) Uani 1 1 d . . . . .
C20 C 0.7147(4) 0.6324(4) 0.3893(7) 0.069(3) Uani 1 1 d . . . . .
H20 H 0.685207 0.637263 0.414652 0.083 Uiso 1 1 calc R U . . .
C21 C 0.7444(6) 0.6670(4) 0.3691(8) 0.096(5) Uani 1 1 d . . . . .
H21 H 0.734701 0.694829 0.379921 0.115 Uiso 1 1 calc R U . . .
C22 C 0.7887(5) 0.6590(5) 0.3326(8) 0.091(5) Uani 1 1 d . . . . .
H22 H 0.809360 0.681260 0.317724 0.109 Uiso 1 1 calc R U . . .
C23 C 0.8005(5) 0.6173(5) 0.3193(7) 0.081(4) Uani 1 1 d . . . . .
H23 H 0.830670 0.611295 0.296527 0.098 Uiso 1 1 calc R U . . .
C24 C 0.7714(5) 0.5849(4) 0.3373(7) 0.076(3) Uani 1 1 d . . . . .
H24 H 0.780753 0.557099 0.325643 0.091 Uiso 1 1 calc R U . . .
C25 C 0.5846(4) 0.6552(3) 0.6040(5) 0.049(2) Uani 1 1 d . . . . .
H25A H 0.557678 0.671782 0.583189 0.059 Uiso 1 1 calc R U . . .
H25B H 0.570558 0.636603 0.640825 0.059 Uiso 1 1 calc R U . . .
C26 C 0.6217(4) 0.6852(3) 0.6390(6) 0.054(2) Uani 1 1 d . . . . .
H26A H 0.607991 0.695509 0.684344 0.065 Uiso 1 1 calc R U . . .
H26B H 0.651912 0.669383 0.650098 0.065 Uiso 1 1 calc R U . . .
C27 C 0.6348(4) 0.7226(3) 0.5925(6) 0.057(3) Uani 1 1 d . . . . .
C28 C 0.6034(5) 0.7575(3) 0.5923(7) 0.070(3) Uani 1 1 d . . . . .
H28 H 0.574894 0.757182 0.621030 0.084 Uiso 1 1 calc R U . . .
C29 C 0.6134(6) 0.7926(3) 0.5505(8) 0.079(4) Uani 1 1 d . . . . .
H29 H 0.592722 0.816445 0.553510 0.094 Uiso 1 1 calc R U . . .
C30 C 0.6535(5) 0.7933(4) 0.5040(7) 0.078(4) Uani 1 1 d . . . . .
H30 H 0.660550 0.816967 0.475358 0.094 Uiso 1 1 calc R U . . .
C31 C 0.6828(6) 0.7567(5) 0.5022(9) 0.095(5) Uani 1 1 d . . . . .
H31 H 0.709692 0.755625 0.470493 0.114 Uiso 1 1 calc R U . . .
C32 C 0.6736(5) 0.7233(4) 0.5440(8) 0.081(4) Uani 1 1 d . . . . .
H32 H 0.694214 0.699410 0.540532 0.097 Uiso 1 1 calc R U . . .
C33 C 0.6315(3) 0.3790(3) 0.2479(5) 0.042(2) Uani 1 1 d . . . . .
H33A H 0.666520 0.375127 0.258886 0.051 Uiso 1 1 calc R U . . .
H33B H 0.612351 0.364902 0.285594 0.051 Uiso 1 1 calc R U . . .
C34 C 0.6202(4) 0.3587(3) 0.1774(6) 0.058(3) Uani 1 1 d . . . . .
H34A H 0.642001 0.370860 0.140869 0.069 Uiso 1 1 calc R U . . .
H34B H 0.586217 0.365625 0.163993 0.069 Uiso 1 1 calc R U . . .
C35 C 0.6261(4) 0.3112(3) 0.1764(6) 0.054(2) Uani 1 1 d . . . . .
C36 C 0.6631(6) 0.2910(4) 0.2156(8) 0.093(5) Uani 1 1 d . . . . .
H36 H 0.684741 0.307376 0.243646 0.112 Uiso 1 1 calc R U . . .
C37 C 0.6688(8) 0.2472(4) 0.2142(10) 0.124(7) Uani 1 1 d . . . . .
H37 H 0.694202 0.233729 0.239946 0.149 Uiso 1 1 calc R U . . .
C38 C 0.6352(8) 0.2238(5) 0.1726(11) 0.116(6) Uani 1 1 d . . . . .
H38 H 0.637914 0.194117 0.171189 0.140 Uiso 1 1 calc R U . . .
C39 C 0.5986(6) 0.2432(5) 0.1341(11) 0.108(6) Uani 1 1 d . . . . .
H39 H 0.576412 0.226987 0.106757 0.129 Uiso 1 1 calc R U . . .
C40 C 0.5945(5) 0.2866(4) 0.1357(8) 0.084(4) Uani 1 1 d . . . . .
H40 H 0.569661 0.299791 0.108521 0.101 Uiso 1 1 calc R U . . .
C41 C 0.4314(4) 0.4829(3) 0.1907(6) 0.057(3) Uani 1 1 d . . . . .
H41A H 0.402435 0.498905 0.206368 0.069 Uiso 1 1 calc R U . . .
H41B H 0.458780 0.502752 0.184007 0.069 Uiso 1 1 calc R U . . .
C42 C 0.4204(5) 0.4608(4) 0.1212(6) 0.070(3) Uani 1 1 d . . . . .
H42A H 0.395485 0.438844 0.129323 0.084 Uiso 1 1 calc R U . . .
H42B H 0.450422 0.446964 0.103540 0.084 Uiso 1 1 calc R U . . .
C43 C 0.4020(5) 0.4915(4) 0.0659(6) 0.071(3) Uani 1 1 d . . . . .
C44 C 0.3564(5) 0.5116(5) 0.0758(8) 0.084(4) Uani 1 1 d . . . . .
H44 H 0.338573 0.506696 0.118166 0.101 Uiso 1 1 calc R U . . .
C45 C 0.3368(6) 0.5390(6) 0.0229(9) 0.109(6) Uani 1 1 d . . . . .
H45 H 0.305680 0.551636 0.028781 0.131 Uiso 1 1 calc R U . . .
C46 C 0.3653(8) 0.5468(5) -0.0381(8) 0.107(6) Uani 1 1 d . . . . .
H46 H 0.353730 0.565577 -0.073465 0.129 Uiso 1 1 calc R U . . .
C47 C 0.4100(7) 0.5272(5) -0.0463(8) 0.095(5) Uani 1 1 d . . . . .
H47 H 0.429011 0.532396 -0.087562 0.114 Uiso 1 1 calc R U . . .
C48 C 0.4268(7) 0.5004(5) 0.0049(7) 0.089(4) Uani 1 1 d . . . . .
H48 H 0.457415 0.487175 -0.002512 0.107 Uiso 1 1 calc R U . . .
C49 C 0.3680(4) 0.6417(3) 0.5557(7) 0.058(3) Uani 1 1 d . . . . .
H49A H 0.365554 0.629689 0.507415 0.069 Uiso 1 1 calc R U . . .
H49B H 0.348018 0.624193 0.587888 0.069 Uiso 1 1 calc R U . . .
C50 C 0.3477(5) 0.6855(4) 0.5549(8) 0.079(3) Uani 1 1 d . U . . .
H50A H 0.357978 0.700341 0.598576 0.095 Uiso 0.598(10) 1 calc R U P A 1
H50B H 0.361125 0.700878 0.513682 0.095 Uiso 0.598(10) 1 calc R U P A 1
H50C H 0.365025 0.702499 0.518917 0.095 Uiso 0.402(10) 1 calc R U P A 2
H50D H 0.352575 0.698762 0.601896 0.095 Uiso 0.402(10) 1 calc R U P A 2
C51 C 0.2935(17) 0.6853(18) 0.5507(19) 0.085(3) Uani 0.598(10) 1 d . U P A 1
C51A C 0.290(3) 0.684(3) 0.536(3) 0.086(3) Uani 0.402(10) 1 d . U P A 2
C52 C 0.2636(8) 0.7078(8) 0.5986(13) 0.087(3) Uani 0.598(10) 1 d . U P A 1
H52 H 0.278027 0.723805 0.635537 0.104 Uiso 0.598(10) 1 calc R U P A 1
C52A C 0.2737(13) 0.7092(13) 0.476(2) 0.088(4) Uani 0.402(10) 1 d . U P A 2
H52A H 0.296896 0.721968 0.445758 0.106 Uiso 0.402(10) 1 calc R U P A 2
C53 C 0.2115(8) 0.7063(9) 0.5914(14) 0.091(3) Uani 0.598(10) 1 d . U P A 1
H53 H 0.192053 0.721603 0.624124 0.109 Uiso 0.598(10) 1 calc R U P A 1
C53A C 0.2283(12) 0.7138(12) 0.4660(19) 0.091(4) Uani 0.402(10) 1 d D U P A 2
H53A H 0.217286 0.735839 0.436071 0.109 Uiso 0.402(10) 1 calc R U P A 2
C54 C 0.1886(9) 0.6834(9) 0.5386(16) 0.092(3) Uani 0.598(10) 1 d . U P A 1
H54 H 0.154851 0.687229 0.529272 0.111 Uiso 0.598(10) 1 calc R U P A 1
C54A C 0.1944(13) 0.6874(12) 0.4975(19) 0.092(4) Uani 0.402(10) 1 d D U P A 2
H54A H 0.162937 0.683381 0.477419 0.110 Uiso 0.402(10) 1 calc R U P A 2
C55 C 0.2152(9) 0.6553(10) 0.5001(13) 0.092(3) Uani 0.598(10) 1 d . U P A 1
H55 H 0.198954 0.634980 0.471949 0.111 Uiso 0.598(10) 1 calc R U P A 1
C55A C 0.2084(14) 0.6666(13) 0.5604(18) 0.093(4) Uani 0.402(10) 1 d D U P A 2
H55A H 0.184323 0.654731 0.590525 0.112 Uiso 0.402(10) 1 calc R U P A 2
C56 C 0.2707(9) 0.6563(9) 0.5018(13) 0.090(3) Uani 0.598(10) 1 d . U P A 1
H56 H 0.289669 0.638647 0.472041 0.109 Uiso 0.598(10) 1 calc R U P A 1
C56A C 0.2595(13) 0.6635(13) 0.579(2) 0.090(3) Uani 0.402(10) 1 d . U P A 2
H56A H 0.270566 0.648028 0.619039 0.108 Uiso 0.402(10) 1 calc R U P A 2
C57 C 0.5714(4) 0.7077(3) 0.4105(5) 0.049(2) Uani 1 1 d . . . . .
H57A H 0.560079 0.729855 0.443391 0.059 Uiso 1 1 calc R U . . .
H57B H 0.595342 0.689976 0.435951 0.059 Uiso 1 1 calc R U . . .
C58 C 0.5958(4) 0.7279(3) 0.3454(6) 0.055(2) Uani 1 1 d . . . . .
H58A H 0.627594 0.739918 0.359972 0.066 Uiso 1 1 calc R U . . .
H58B H 0.602358 0.705852 0.309607 0.066 Uiso 1 1 calc R U . . .
C59 C 0.5649(4) 0.7622(3) 0.3116(6) 0.051(2) Uani 1 1 d . . . . .
C60 C 0.5294(4) 0.7536(3) 0.2579(6) 0.055(2) Uani 1 1 d . . . . .
H60 H 0.524787 0.725521 0.242532 0.066 Uiso 1 1 calc R U . . .
C61 C 0.5020(4) 0.7844(4) 0.2282(6) 0.064(3) Uani 1 1 d . . . . .
H61 H 0.480667 0.778213 0.189928 0.077 Uiso 1 1 calc R U . . .
C62 C 0.5055(4) 0.8258(3) 0.2546(6) 0.062(3) Uani 1 1 d . . . . .
H62 H 0.485668 0.847501 0.235515 0.074 Uiso 1 1 calc R U . . .
C63 C 0.5385(5) 0.8343(3) 0.3094(7) 0.068(3) Uani 1 1 d . . . . .
H63 H 0.541538 0.862101 0.326749 0.081 Uiso 1 1 calc R U . . .
C64 C 0.5662(4) 0.8035(3) 0.3380(6) 0.058(3) Uani 1 1 d . . . . .
H64 H 0.587054 0.809915 0.376798 0.069 Uiso 1 1 calc R U . . .
C65 C 0.5663(4) 0.5553(3) 0.2007(6) 0.058(3) Uani 1 1 d . . . . .
H65A H 0.579773 0.531006 0.174527 0.070 Uiso 1 1 calc R U . . .
H65B H 0.530856 0.550512 0.206806 0.070 Uiso 1 1 calc R U . . .
C66 C 0.5737(4) 0.5953(4) 0.1550(6) 0.059(3) Uani 1 1 d . . . . .
H66A H 0.553887 0.592645 0.111273 0.071 Uiso 1 1 calc R U . . .
H66B H 0.561217 0.619755 0.181804 0.071 Uiso 1 1 calc R U . . .
C67 C 0.6274(5) 0.6039(3) 0.1338(6) 0.061(3) Uani 1 1 d . . . . .
C68 C 0.6434(4) 0.5917(3) 0.0655(7) 0.065(3) Uani 1 1 d . . . . .
H68 H 0.621476 0.577834 0.034362 0.078 Uiso 1 1 calc R U . . .
C69 C 0.6907(5) 0.5998(4) 0.0431(8) 0.081(4) Uani 1 1 d . . . . .
H69 H 0.700656 0.591711 -0.003176 0.098 Uiso 1 1 calc R U . . .
C70 C 0.7238(5) 0.6199(4) 0.0882(10) 0.089(4) Uani 1 1 d . . . . .
H70 H 0.756338 0.625679 0.073938 0.107 Uiso 1 1 calc R U . . .
C71 C 0.7069(5) 0.6306(4) 0.1537(8) 0.085(4) Uani 1 1 d . . . . .
H71 H 0.728873 0.644393 0.185014 0.102 Uiso 1 1 calc R U . . .
C72 C 0.6598(5) 0.6230(4) 0.1783(7) 0.074(3) Uani 1 1 d . . . . .
H72 H 0.650396 0.630839 0.224924 0.088 Uiso 1 1 calc R U . . .
Cl1 Cl 0.7044(7) 0.7401(6) 0.2377(10) 0.119(6) Uani 0.25 1 d . . P . .
C73 C 0.750000 0.750000 0.197(4) 0.10(3) Uani 0.25 2 d S T P . .
H73A H 0.757092 0.725805 0.166192 0.116 Uiso 0.125 1 calc R U P . .
H73B H 0.742907 0.774197 0.166196 0.116 Uiso 0.125 1 calc R U P . .


_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 Au2 3.1930(6) . ?
Au1 Au7 3.1482(5) 5_666 ?
Au1 Au12 3.2093(5) . ?
Au1 S1 2.301(2) . ?
Au1 S2 2.299(2) . ?
Au2 Au3 2.9609(5) . ?
Au2 Au4 2.9904(5) 5_666 ?
Au2 Au6 2.7909(4) . ?
Au2 Au7 2.7876(5) 5_666 ?
Au2 Au8 3.0400(5) . ?
Au2 Au9 3.2386(5) . ?
Au2 Au12 2.9899(5) . ?
Au2 Au13 3.0960(5) . ?
Au2 S3 2.358(2) . ?
Au3 Au4 2.9449(5) . ?
Au3 Au5 3.1228(5) . ?
Au3 Au6 2.7690(4) . ?
Au3 Au7 3.0153(5) 5_666 ?
Au3 Au8 3.0294(5) . ?
Au3 Au10 3.0745(5) . ?
Au3 Au12 2.7702(5) 5_666 ?
Au3 Au13 3.2691(5) . ?
Au3 S4 2.365(2) . ?
Au4 Au5 3.2700(5) . ?
Au4 Au6 2.7988(3) . ?
Au4 Au7 3.0025(5) 5_666 ?
Au4 Au8 2.7886(5) 5_666 ?
Au4 Au9 3.0892(5) 5_666 ?
Au4 Au11 3.1224(6) 5_666 ?
Au4 Au12 2.9890(6) 5_666 ?
Au4 S7 2.376(2) . ?
Au5 Au12 3.1026(5) 5_666 ?
Au5 S7 2.295(2) . ?
Au5 S8 2.288(2) . ?
Au6 Au7 2.7841(4) . ?
Au6 Au7 2.7841(4) 5_666 ?
Au6 Au8 2.8007(4) 5_666 ?
Au6 Au8 2.8008(4) . ?
Au6 Au12 2.7861(3) 5_666 ?
Au6 Au12 2.7860(3) . ?
Au7 Au8 2.8614(5) . ?
Au7 Au11 3.2326(5) . ?
Au7 Au12 2.8975(5) 5_666 ?
Au7 Au13 3.0662(5) 5_666 ?
Au7 S6 2.375(2) . ?
Au8 Au9 3.1049(5) . ?
Au8 Au10 3.1656(5) . ?
Au8 Au11 3.1551(5) . ?
Au8 Au12 2.9301(5) 5_666 ?
Au8 S9 2.388(2) . ?
Au9 S3 2.313(3) . ?
Au9 S5 2.311(2) . ?
Au10 Au12 3.1674(5) 5_666 ?
Au10 S8 2.304(2) . ?
Au10 S9 2.314(2) . ?
Au11 S5 2.296(2) . ?
Au11 S6 2.301(2) . ?
Au12 S1 2.380(2) . ?
Au13 S2 2.295(2) . ?
Au13 S4 2.300(2) . ?
S1 C1 1.840(11) . ?
S2 C9 1.849(13) . ?
S3 C17 1.829(10) . ?
S4 C25 1.831(9) . ?
S5 C33 1.834(8) . ?
S6 C41 1.860(11) . ?
S7 C49 1.863(10) . ?
S8 C57 1.837(9) . ?
S9 C65 1.785(11) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C1 C2 1.494(14) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 C3 1.524(15) . ?
C3 C4 1.370(19) . ?
C3 C8 1.378(19) . ?
C4 H4 0.9400 . ?
C4 C5 1.40(2) . ?
C5 H5 0.9400 . ?
C5 C6 1.34(3) . ?
C6 H6 0.9400 . ?
C6 C7 1.40(3) . ?
C7 H7 0.9400 . ?
C7 C8 1.37(2) . ?
C8 H8 0.9400 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 C10 1.559(14) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 C11 1.454(12) . ?
C11 C16 1.3900 . ?
C11 C12 1.3900 . ?
C16 H16 0.9400 . ?
C16 C15 1.3900 . ?
C15 H15 0.9400 . ?
C15 C14 1.3900 . ?
C14 H14 0.9400 . ?
C14 C13 1.3900 . ?
C13 H13 0.9400 . ?
C13 C12 1.3900 . ?
C12 H12 0.9400 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 C18 1.455(16) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 C19 1.566(15) . ?
C19 C20 1.368(15) . ?
C19 C24 1.359(16) . ?
C20 H20 0.9400 . ?
C20 C21 1.406(16) . ?
C21 H21 0.9400 . ?
C21 C22 1.40(2) . ?
C22 H22 0.9400 . ?
C22 C23 1.38(2) . ?
C23 H23 0.9400 . ?
C23 C24 1.335(18) . ?
C24 H24 0.9400 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 C26 1.528(13) . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 C27 1.507(15) . ?
C27 C28 1.393(15) . ?
C27 C32 1.389(17) . ?
C28 H28 0.9400 . ?
C28 C29 1.382(17) . ?
C29 H29 0.9400 . ?
C29 C30 1.39(2) . ?
C30 H30 0.9400 . ?
C30 C31 1.40(2) . ?
C31 H31 0.9400 . ?
C31 C32 1.335(19) . ?
C32 H32 0.9400 . ?
C33 H33A 0.9800 . ?
C33 H33B 0.9800 . ?
C33 C34 1.496(14) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 C35 1.507(13) . ?
C35 C36 1.396(18) . ?
C35 C40 1.384(16) . ?
C36 H36 0.9400 . ?
C36 C37 1.393(18) . ?
C37 H37 0.9400 . ?
C37 C38 1.41(2) . ?
C38 H38 0.9400 . ?
C38 C39 1.37(2) . ?
C39 H39 0.9400 . ?
C39 C40 1.37(2) . ?
C40 H40 0.9400 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 C42 1.500(14) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 C43 1.503(16) . ?
C43 C44 1.399(19) . ?
C43 C48 1.350(19) . ?
C44 H44 0.9400 . ?
C44 C45 1.416(18) . ?
C45 H45 0.9400 . ?
C45 C46 1.40(2) . ?
C46 H46 0.9400 . ?
C46 C47 1.37(2) . ?
C47 H47 0.9400 . ?
C47 C48 1.36(2) . ?
C48 H48 0.9400 . ?
C49 H49A 0.9800 . ?
C49 H49B 0.9800 . ?
C49 C50 1.488(15) . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C50 H50D 0.9800 . ?
C50 C51 1.47(5) . ?
C50 C51A 1.62(7) . ?
C51 C52 1.40(5) . ?
C51 C56 1.43(5) . ?
C51A C52A 1.44(7) . ?
C51A C56A 1.31(9) . ?
C52 H52 0.9400 . ?
C52 C53 1.42(3) . ?
C52A H52A 0.9400 . ?
C52A C53A 1.26(4) . ?
C53 H53 0.9400 . ?
C53 C54 1.37(4) . ?
C53A H53A 0.9400 . ?
C53A C54A 1.374(19) . ?
C54 H54 0.9400 . ?
C54 C55 1.35(4) . ?
C54A H54A 0.9400 . ?
C54A C55A 1.397(19) . ?
C55 H55 0.9400 . ?
C55 C56 1.51(3) . ?
C55A H55A 0.9400 . ?
C55A C56A 1.43(5) . ?
C56 H56 0.9400 . ?
C56A H56A 0.9400 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 C58 1.522(14) . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 C59 1.509(13) . ?
C59 C60 1.416(15) . ?
C59 C64 1.395(14) . ?
C60 H60 0.9400 . ?
C60 C61 1.342(14) . ?
C61 H61 0.9400 . ?
C61 C62 1.400(15) . ?
C62 H62 0.9400 . ?
C62 C63 1.384(17) . ?
C63 H63 0.9400 . ?
C63 C64 1.339(15) . ?
C64 H64 0.9400 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 C66 1.536(14) . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 C67 1.532(16) . ?
C67 C68 1.400(16) . ?
C67 C72 1.350(17) . ?
C68 H68 0.9400 . ?
C68 C69 1.371(17) . ?
C69 H69 0.9400 . ?
C69 C70 1.38(2) . ?
C70 H70 0.9400 . ?
C70 C71 1.35(2) . ?
C71 H71 0.9400 . ?
C71 C72 1.379(19) . ?
C72 H72 0.9400 . ?
Cl1 C73 1.48(4) . ?
C73 H73A 0.9800 . ?
C73 H73B 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
Au2 Au1 Au12 55.679(11) . . ?
Au7 Au1 Au2 52.151(11) 5_666 . ?
Au7 Au1 Au12 54.213(11) 5_666 . ?
S1 Au1 Au2 95.10(6) . . ?
S1 Au1 Au7 98.71(5) . 5_666 ?
S1 Au1 Au12 47.75(5) . . ?
S2 Au1 Au2 89.82(6) . . ?
S2 Au1 Au7 85.77(6) . 5_666 ?
S2 Au1 Au12 137.39(6) . . ?
S2 Au1 S1 174.74(8) . . ?
Au1 Au2 Au9 124.821(15) . . ?
Au3 Au2 Au1 120.811(16) . . ?
Au3 Au2 Au4 105.118(15) . 5_666 ?
Au3 Au2 Au8 60.622(12) . . ?
Au3 Au2 Au9 112.819(16) . . ?
Au3 Au2 Au12 108.021(15) . . ?
Au3 Au2 Au13 65.285(12) . . ?
Au4 Au2 Au1 114.175(15) 5_666 . ?
Au4 Au2 Au8 55.078(12) 5_666 . ?
Au4 Au2 Au9 59.303(12) 5_666 . ?
Au4 Au2 Au13 169.054(16) 5_666 . ?
Au6 Au2 Au1 111.139(14) . . ?
Au6 Au2 Au3 57.464(10) . . ?
Au6 Au2 Au4 57.783(10) . 5_666 ?
Au6 Au2 Au8 57.223(10) . . ?
Au6 Au2 Au9 107.476(14) . . ?
Au6 Au2 Au12 57.499(10) . . ?
Au6 Au2 Au13 111.328(14) . . ?
Au7 Au2 Au1 63.097(13) 5_666 . ?
Au7 Au2 Au3 63.188(13) 5_666 . ?
Au7 Au2 Au4 109.041(16) 5_666 5_666 ?
Au7 Au2 Au6 59.876(10) 5_666 . ?
Au7 Au2 Au8 110.699(16) 5_666 . ?
Au7 Au2 Au9 167.226(17) 5_666 . ?
Au7 Au2 Au12 60.074(13) 5_666 . ?
Au7 Au2 Au13 62.560(13) 5_666 . ?
Au8 Au2 Au1 166.573(16) . . ?
Au8 Au2 Au9 59.176(12) . . ?
Au8 Au2 Au13 119.580(15) . . ?
Au12 Au2 Au1 62.436(12) . . ?
Au12 Au2 Au4 59.974(13) . 5_666 ?
Au12 Au2 Au8 104.156(15) . . ?
Au12 Au2 Au9 112.820(15) . . ?
Au12 Au2 Au13 116.571(16) . . ?
Au13 Au2 Au1 69.387(13) . . ?
Au13 Au2 Au9 128.181(16) . . ?
S3 Au2 Au1 89.47(6) . . ?
S3 Au2 Au3 126.99(6) . . ?
S3 Au2 Au4 98.47(6) . 5_666 ?
S3 Au2 Au6 152.99(6) . . ?
S3 Au2 Au7 147.02(6) . 5_666 ?
S3 Au2 Au8 99.76(6) . . ?
S3 Au2 Au9 45.54(6) . . ?
S3 Au2 Au12 124.86(6) . . ?
S3 Au2 Au13 91.83(6) . . ?
Au2 Au3 Au5 170.669(16) . . ?
Au2 Au3 Au7 55.600(12) . 5_666 ?
Au2 Au3 Au8 60.980(12) . . ?
Au2 Au3 Au10 113.579(16) . . ?
Au2 Au3 Au13 59.351(12) . . ?
Au4 Au3 Au2 106.191(15) . . ?
Au4 Au3 Au5 65.143(12) . . ?
Au4 Au3 Au7 60.485(12) . 5_666 ?
Au4 Au3 Au8 108.730(14) . . ?
Au4 Au3 Au10 122.732(16) . . ?
Au4 Au3 Au13 111.059(16) . . ?
Au5 Au3 Au13 125.862(15) . . ?
Au6 Au3 Au2 58.182(10) . . ?
Au6 Au3 Au4 58.561(10) . . ?
Au6 Au3 Au5 112.734(13) . . ?
Au6 Au3 Au7 57.352(9) . 5_666 ?
Au6 Au3 Au8 57.556(10) . . ?
Au6 Au3 Au10 112.579(14) . . ?
Au6 Au3 Au12 60.394(10) . 5_666 ?
Au6 Au3 Au13 107.041(13) . . ?
Au7 Au3 Au5 118.865(15) 5_666 . ?
Au7 Au3 Au8 105.018(15) 5_666 . ?
Au7 Au3 Au10 167.437(17) 5_666 . ?
Au7 Au3 Au13 58.240(11) 5_666 . ?
Au8 Au3 Au5 117.259(15) . . ?
Au8 Au3 Au10 62.473(12) . . ?
Au8 Au3 Au13 114.631(15) . . ?
Au10 Au3 Au5 70.849(13) . . ?
Au10 Au3 Au13 124.133(15) . . ?
Au12 Au3 Au2 110.415(15) 5_666 . ?
Au12 Au3 Au4 62.981(14) 5_666 . ?
Au12 Au3 Au5 63.206(12) 5_666 . ?
Au12 Au3 Au7 110.555(15) 5_666 5_666 ?
Au12 Au3 Au8 60.496(12) 5_666 . ?
Au12 Au3 Au10 65.389(13) 5_666 . ?
Au12 Au3 Au13 167.419(16) 5_666 . ?
S4 Au3 Au2 98.83(5) . . ?
S4 Au3 Au4 122.00(6) . . ?
S4 Au3 Au5 89.13(5) . . ?
S4 Au3 Au6 151.64(5) . . ?
S4 Au3 Au7 96.83(6) . 5_666 ?
S4 Au3 Au8 129.12(6) . . ?
S4 Au3 Au10 91.06(6) . . ?
S4 Au3 Au12 147.78(5) . 5_666 ?
S4 Au3 Au13 44.71(5) . . ?
Au2 Au4 Au5 112.171(16) 5_666 . ?
Au2 Au4 Au7 107.339(14) 5_666 5_666 ?
Au2 Au4 Au9 64.351(13) 5_666 5_666 ?
Au2 Au4 Au11 121.484(15) 5_666 5_666 ?
Au3 Au4 Au2 104.907(15) . 5_666 ?
Au3 Au4 Au5 60.056(11) . . ?
Au3 Au4 Au7 60.918(12) . 5_666 ?
Au3 Au4 Au9 168.655(16) . 5_666 ?
Au3 Au4 Au11 115.287(16) . 5_666 ?
Au3 Au4 Au12 55.653(12) . 5_666 ?
Au6 Au4 Au2 57.530(10) . 5_666 ?
Au6 Au4 Au3 57.578(10) . . ?
Au6 Au4 Au5 107.737(13) . . ?
Au6 Au4 Au7 57.228(10) . 5_666 ?
Au6 Au4 Au9 111.475(13) . 5_666 ?
Au6 Au4 Au11 112.941(13) . 5_666 ?
Au6 Au4 Au12 57.437(9) . 5_666 ?
Au7 Au4 Au5 114.769(15) 5_666 . ?
Au7 Au4 Au9 117.232(16) 5_666 5_666 ?
Au7 Au4 Au11 63.679(12) 5_666 5_666 ?
Au8 Au4 Au2 63.364(13) 5_666 5_666 ?
Au8 Au4 Au3 109.185(15) 5_666 . ?
Au8 Au4 Au5 167.863(17) 5_666 . ?
Au8 Au4 Au6 60.166(10) 5_666 . ?
Au8 Au4 Au7 59.081(12) 5_666 5_666 ?
Au8 Au4 Au9 63.534(12) 5_666 5_666 ?
Au8 Au4 Au11 64.229(13) 5_666 5_666 ?
Au8 Au4 Au12 110.790(15) 5_666 5_666 ?
Au9 Au4 Au5 126.034(15) 5_666 . ?
Au9 Au4 Au11 70.440(13) 5_666 5_666 ?
Au11 Au4 Au5 124.131(15) 5_666 . ?
Au12 Au4 Au2 60.004(12) 5_666 5_666 ?
Au12 Au4 Au5 59.230(11) 5_666 . ?
Au12 Au4 Au7 105.120(14) 5_666 5_666 ?
Au12 Au4 Au9 117.270(16) 5_666 5_666 ?
Au12 Au4 Au11 168.798(16) 5_666 5_666 ?
S7 Au4 Au2 122.77(6) . 5_666 ?
S7 Au4 Au3 99.92(5) . . ?
S7 Au4 Au5 44.55(5) . . ?
S7 Au4 Au6 152.11(6) . . ?
S7 Au4 Au7 129.76(6) . 5_666 ?
S7 Au4 Au8 147.58(6) . 5_666 ?
S7 Au4 Au9 89.54(5) . 5_666 ?
S7 Au4 Au11 90.84(6) . 5_666 ?
S7 Au4 Au12 97.15(6) . 5_666 ?
Au3 Au5 Au4 54.801(11) . . ?
Au12 Au5 Au3 52.843(11) 5_666 . ?
Au12 Au5 Au4 55.870(11) 5_666 . ?
S7 Au5 Au3 96.86(5) . . ?
S7 Au5 Au4 46.59(5) . . ?
S7 Au5 Au12 95.87(5) . 5_666 ?
S8 Au5 Au3 89.27(6) . . ?
S8 Au5 Au4 139.24(5) . . ?
S8 Au5 Au12 88.34(6) . 5_666 ?
S8 Au5 S7 173.84(7) . . ?
Au2 Au6 Au2 180.0 5_666 . ?
Au2 Au6 Au4 115.317(11) 5_666 5_666 ?
Au2 Au6 Au4 115.313(11) . . ?
Au2 Au6 Au4 64.685(11) . 5_666 ?
Au2 Au6 Au4 64.685(11) 5_666 . ?
Au2 Au6 Au8 65.866(11) . . ?
Au2 Au6 Au8 114.133(11) . 5_666 ?
Au2 Au6 Au8 114.134(11) 5_666 . ?
Au2 Au6 Au8 65.867(11) 5_666 5_666 ?
Au3 Au6 Au2 115.644(11) . 5_666 ?
Au3 Au6 Au2 64.355(11) 5_666 5_666 ?
Au3 Au6 Au2 64.354(11) . . ?
Au3 Au6 Au2 115.648(11) 5_666 . ?
Au3 Au6 Au3 180.0 5_666 . ?
Au3 Au6 Au4 63.861(11) . . ?
Au3 Au6 Au4 116.137(11) . 5_666 ?
Au3 Au6 Au4 116.138(11) 5_666 . ?
Au3 Au6 Au4 63.864(11) 5_666 5_666 ?
Au3 Au6 Au7 65.775(11) . 5_666 ?
Au3 Au6 Au7 65.773(11) 5_666 . ?
Au3 Au6 Au7 114.226(11) . . ?
Au3 Au6 Au7 114.226(11) 5_666 5_666 ?
Au3 Au6 Au8 114.104(11) . 5_666 ?
Au3 Au6 Au8 65.895(11) . . ?
Au3 Au6 Au8 114.105(11) 5_666 . ?
Au3 Au6 Au8 65.896(11) 5_666 5_666 ?
Au3 Au6 Au12 59.825(10) 5_666 . ?
Au3 Au6 Au12 59.823(10) . 5_666 ?
Au3 Au6 Au12 120.175(10) 5_666 5_666 ?
Au3 Au6 Au12 120.176(11) . . ?
Au4 Au6 Au4 180.0 5_666 . ?
Au4 Au6 Au8 59.736(10) . 5_666 ?
Au4 Au6 Au8 59.735(10) 5_666 . ?
Au4 Au6 Au8 120.266(10) 5_666 5_666 ?
Au4 Au6 Au8 120.264(10) . . ?
Au7 Au6 Au2 60.003(11) 5_666 . ?
Au7 Au6 Au2 119.996(11) 5_666 5_666 ?
Au7 Au6 Au2 119.996(11) . . ?
Au7 Au6 Au2 60.005(11) . 5_666 ?
Au7 Au6 Au4 65.069(11) 5_666 . ?
Au7 Au6 Au4 114.930(11) 5_666 5_666 ?
Au7 Au6 Au4 114.932(11) . . ?
Au7 Au6 Au4 65.069(11) . 5_666 ?
Au7 Au6 Au7 180.0 5_666 . ?
Au7 Au6 Au8 118.361(12) . 5_666 ?
Au7 Au6 Au8 61.639(11) 5_666 5_666 ?
Au7 Au6 Au8 61.640(11) . . ?
Au7 Au6 Au8 118.360(11) 5_666 . ?
Au7 Au6 Au12 62.686(11) 5_666 . ?
Au7 Au6 Au12 62.689(11) . 5_666 ?
Au7 Au6 Au12 117.312(11) . . ?
Au7 Au6 Au12 117.313(11) 5_666 5_666 ?
Au8 Au6 Au8 180.0 5_666 . ?
Au12 Au6 Au2 115.161(11) . 5_666 ?
Au12 Au6 Au2 64.841(11) . . ?
Au12 Au6 Au2 64.839(11) 5_666 5_666 ?
Au12 Au6 Au2 115.159(11) 5_666 . ?
Au12 Au6 Au4 115.284(11) . . ?
Au12 Au6 Au4 64.715(11) 5_666 . ?
Au12 Au6 Au4 64.716(11) . 5_666 ?
Au12 Au6 Au4 115.285(11) 5_666 5_666 ?
Au12 Au6 Au8 63.262(11) . 5_666 ?
Au12 Au6 Au8 116.738(11) . . ?
Au12 Au6 Au8 63.263(11) 5_666 . ?
Au12 Au6 Au8 116.737(11) 5_666 5_666 ?
Au12 Au6 Au12 180.0 . 5_666 ?
Au1 Au7 Au11 125.751(15) 5_666 . ?
Au2 Au7 Au1 64.750(13) 5_666 5_666 ?
Au2 Au7 Au3 61.212(13) 5_666 5_666 ?
Au2 Au7 Au4 109.239(16) 5_666 5_666 ?
Au2 Au7 Au8 112.350(16) 5_666 . ?
Au2 Au7 Au11 169.171(17) 5_666 . ?
Au2 Au7 Au12 63.424(13) 5_666 5_666 ?
Au2 Au7 Au13 63.652(13) 5_666 5_666 ?
Au3 Au7 Au1 120.528(15) 5_666 5_666 ?
Au3 Au7 Au11 110.212(14) 5_666 . ?
Au3 Au7 Au13 65.023(12) 5_666 5_666 ?
Au4 Au7 Au1 169.788(16) 5_666 5_666 ?
Au4 Au7 Au3 58.599(12) 5_666 5_666 ?
Au4 Au7 Au11 59.968(12) 5_666 . ?
Au4 Au7 Au13 115.273(15) 5_666 5_666 ?
Au6 Au7 Au1 112.646(14) . 5_666 ?
Au6 Au7 Au2 60.119(11) . 5_666 ?
Au6 Au7 Au3 56.873(10) . 5_666 ?
Au6 Au7 Au4 57.701(10) . 5_666 ?
Au6 Au7 Au8 59.467(10) . . ?
Au6 Au7 Au11 110.128(13) . . ?
Au6 Au7 Au12 58.689(10) . 5_666 ?
Au6 Au7 Au13 112.401(14) . 5_666 ?
Au8 Au7 Au1 116.697(15) . 5_666 ?
Au8 Au7 Au3 105.348(14) . 5_666 ?
Au8 Au7 Au4 56.728(12) . 5_666 ?
Au8 Au7 Au11 62.007(12) . . ?
Au8 Au7 Au12 61.163(12) . 5_666 ?
Au8 Au7 Au13 170.369(17) . 5_666 ?
Au12 Au7 Au1 63.967(12) 5_666 5_666 ?
Au12 Au7 Au3 109.032(15) 5_666 5_666 ?
Au12 Au7 Au4 106.171(14) 5_666 5_666 ?
Au12 Au7 Au11 116.900(15) 5_666 . ?
Au12 Au7 Au13 120.467(15) 5_666 5_666 ?
Au13 Au7 Au1 70.349(12) 5_666 5_666 ?
Au13 Au7 Au11 120.267(15) 5_666 . ?
S6 Au7 Au1 92.25(6) . 5_666 ?
S6 Au7 Au2 143.14(6) . 5_666 ?
S6 Au7 Au3 117.28(6) . 5_666 ?
S6 Au7 Au4 96.94(6) . 5_666 ?
S6 Au7 Au6 154.04(6) . . ?
S6 Au7 Au8 103.57(6) . . ?
S6 Au7 Au11 45.32(6) . . ?
S6 Au7 Au12 133.67(6) . 5_666 ?
S6 Au7 Au13 82.05(6) . 5_666 ?
Au2 Au8 Au9 63.600(13) . . ?
Au2 Au8 Au10 108.920(15) . . ?
Au2 Au8 Au11 118.828(15) . . ?
Au3 Au8 Au2 58.398(12) . . ?
Au3 Au8 Au9 114.750(15) . . ?
Au3 Au8 Au10 59.462(12) . . ?
Au3 Au8 Au11 168.273(16) . . ?
Au4 Au8 Au2 61.557(13) 5_666 . ?
Au4 Au8 Au3 108.551(16) 5_666 . ?
Au4 Au8 Au6 60.096(10) 5_666 . ?
Au4 Au8 Au7 64.188(13) 5_666 . ?
Au4 Au8 Au9 62.955(12) 5_666 . ?
Au4 Au8 Au10 167.990(18) 5_666 . ?
Au4 Au8 Au11 63.027(13) 5_666 . ?
Au4 Au8 Au12 111.146(15) 5_666 5_666 ?
Au6 Au8 Au2 56.912(10) . . ?
Au6 Au8 Au3 56.548(10) . . ?
Au6 Au8 Au7 58.893(10) . . ?
Au6 Au8 Au9 110.961(14) . . ?
Au6 Au8 Au10 109.067(13) . . ?
Au6 Au8 Au11 111.915(13) . . ?
Au6 Au8 Au12 58.124(10) . 5_666 ?
Au7 Au8 Au2 109.757(15) . . ?
Au7 Au8 Au3 104.637(14) . . ?
Au7 Au8 Au9 121.252(15) . . ?
Au7 Au8 Au10 116.093(15) . . ?
Au7 Au8 Au11 64.784(12) . . ?
Au7 Au8 Au12 60.026(12) . 5_666 ?
Au9 Au8 Au10 121.013(14) . . ?
Au9 Au8 Au11 69.815(12) . . ?
Au11 Au8 Au10 128.671(16) . . ?
Au12 Au8 Au2 104.089(15) 5_666 . ?
Au12 Au8 Au3 55.369(12) 5_666 . ?
Au12 Au8 Au9 167.630(18) 5_666 . ?
Au12 Au8 Au10 62.473(12) 5_666 . ?
Au12 Au8 Au11 118.354(16) 5_666 . ?
S9 Au8 Au2 115.94(6) . . ?
S9 Au8 Au3 97.76(6) . . ?
S9 Au8 Au4 142.54(6) . 5_666 ?
S9 Au8 Au6 153.97(6) . . ?
S9 Au8 Au7 134.27(6) . . ?
S9 Au8 Au9 82.15(6) . . ?
S9 Au8 Au10 46.70(6) . . ?
S9 Au8 Au11 93.54(6) . . ?
S9 Au8 Au12 105.65(6) . 5_666 ?
Au4 Au9 Au2 56.345(11) 5_666 . ?
Au4 Au9 Au8 53.512(11) 5_666 . ?
Au8 Au9 Au2 57.224(12) . . ?
S3 Au9 Au2 46.67(6) . . ?
S3 Au9 Au4 96.77(6) . 5_666 ?
S3 Au9 Au8 98.97(6) . . ?
S5 Au9 Au2 141.54(6) . . ?
S5 Au9 Au4 89.98(6) . 5_666 ?
S5 Au9 Au8 88.92(6) . . ?
S5 Au9 S3 171.71(8) . . ?
Au3 Au10 Au8 58.065(11) . . ?
Au3 Au10 Au12 52.668(11) . 5_666 ?
Au8 Au10 Au12 55.119(11) . 5_666 ?
S8 Au10 Au3 90.15(6) . . ?
S8 Au10 Au8 139.61(6) . . ?
S8 Au10 Au12 86.48(5) . 5_666 ?
S8 Au10 S9 171.30(8) . . ?
S9 Au10 Au3 98.19(6) . . ?
S9 Au10 Au8 48.68(6) . . ?
S9 Au10 Au12 100.52(6) . 5_666 ?
Au4 Au11 Au7 56.356(11) 5_666 . ?
Au4 Au11 Au8 52.743(11) 5_666 . ?
Au8 Au11 Au7 53.209(11) . . ?
S5 Au11 Au4 89.43(6) . 5_666 ?
S5 Au11 Au7 138.20(6) . . ?
S5 Au11 Au8 87.96(6) . . ?
S5 Au11 S6 174.58(8) . . ?
S6 Au11 Au4 95.33(6) . 5_666 ?
S6 Au11 Au7 47.21(6) . . ?
S6 Au11 Au8 96.99(6) . . ?
Au2 Au12 Au1 61.884(12) . . ?
Au2 Au12 Au5 117.095(16) . 5_666 ?
Au2 Au12 Au10 166.513(16) . 5_666 ?
Au3 Au12 Au1 170.531(16) 5_666 . ?
Au3 Au12 Au2 109.513(16) 5_666 . ?
Au3 Au12 Au4 61.369(13) 5_666 5_666 ?
Au3 Au12 Au5 63.950(13) 5_666 5_666 ?
Au3 Au12 Au6 59.783(10) 5_666 . ?
Au3 Au12 Au7 110.710(15) 5_666 5_666 ?
Au3 Au12 Au8 64.136(13) 5_666 5_666 ?
Au3 Au12 Au10 61.942(13) 5_666 5_666 ?
Au4 Au12 Au1 113.743(15) 5_666 . ?
Au4 Au12 Au2 60.020(12) 5_666 . ?
Au4 Au12 Au5 64.903(12) 5_666 5_666 ?
Au4 Au12 Au10 118.204(15) 5_666 5_666 ?
Au5 Au12 Au1 122.558(14) 5_666 . ?
Au5 Au12 Au10 69.896(12) 5_666 5_666 ?
Au6 Au12 Au1 110.803(13) . . ?
Au6 Au12 Au2 57.660(10) . . ?
Au6 Au12 Au4 57.849(9) . 5_666 ?
Au6 Au12 Au5 112.852(14) . 5_666 ?
Au6 Au12 Au7 58.625(10) . 5_666 ?
Au6 Au12 Au8 58.615(10) . 5_666 ?
Au6 Au12 Au10 109.402(13) . 5_666 ?
Au7 Au12 Au1 61.817(12) 5_666 . ?
Au7 Au12 Au2 56.497(12) 5_666 . ?
Au7 Au12 Au4 106.172(14) 5_666 5_666 ?
Au7 Au12 Au5 170.856(17) 5_666 5_666 ?
Au7 Au12 Au8 58.812(12) 5_666 5_666 ?
Au7 Au12 Au10 114.972(16) 5_666 5_666 ?
Au8 Au12 Au1 112.869(15) 5_666 . ?
Au8 Au12 Au2 104.886(14) 5_666 . ?
Au8 Au12 Au4 110.241(14) 5_666 5_666 ?
Au8 Au12 Au5 121.067(15) 5_666 5_666 ?
Au8 Au12 Au10 62.411(12) 5_666 5_666 ?
Au10 Au12 Au1 125.622(16) 5_666 . ?
S1 Au12 Au1 45.71(5) . . ?
S1 Au12 Au2 98.87(6) . . ?
S1 Au12 Au3 143.40(5) . 5_666 ?
S1 Au12 Au4 119.35(6) . 5_666 ?
S1 Au12 Au5 82.92(5) . 5_666 ?
S1 Au12 Au6 155.49(5) . . ?
S1 Au12 Au7 104.04(5) . 5_666 ?
S1 Au12 Au8 130.40(6) . 5_666 ?
S1 Au12 Au10 93.37(6) . 5_666 ?
Au2 Au13 Au3 55.364(11) . . ?
Au7 Au13 Au2 53.789(11) 5_666 . ?
Au7 Au13 Au3 56.734(11) 5_666 . ?
S2 Au13 Au2 92.36(6) . . ?
S2 Au13 Au3 141.19(6) . . ?
S2 Au13 Au7 87.80(6) . 5_666 ?
S2 Au13 S4 171.04(8) . . ?
S4 Au13 Au2 96.57(5) . . ?
S4 Au13 Au3 46.32(5) . . ?
S4 Au13 Au7 96.86(5) . 5_666 ?
Au1 S1 Au12 86.54(7) . . ?
C1 S1 Au1 108.3(4) . . ?
C1 S1 Au12 104.7(3) . . ?
Au13 S2 Au1 102.43(9) . . ?
C9 S2 Au1 105.7(4) . . ?
C9 S2 Au13 103.1(4) . . ?
Au9 S3 Au2 87.79(8) . . ?
C17 S3 Au2 109.9(4) . . ?
C17 S3 Au9 106.2(4) . . ?
Au13 S4 Au3 88.97(7) . . ?
C25 S4 Au3 105.1(3) . . ?
C25 S4 Au13 100.1(3) . . ?
Au11 S5 Au9 102.09(9) . . ?
C33 S5 Au9 104.3(3) . . ?
C33 S5 Au11 106.2(3) . . ?
Au11 S6 Au7 87.46(8) . . ?
C41 S6 Au7 108.2(3) . . ?
C41 S6 Au11 105.2(4) . . ?
Au5 S7 Au4 88.86(7) . . ?
C49 S7 Au4 104.8(3) . . ?
C49 S7 Au5 104.7(4) . . ?
Au5 S8 Au10 102.94(8) . . ?
C57 S8 Au5 107.2(3) . . ?
C57 S8 Au10 103.6(3) . . ?
Au10 S9 Au8 84.63(8) . . ?
C65 S9 Au8 110.7(4) . . ?
C65 S9 Au10 103.3(4) . . ?
S1 C1 H1A 109.0 . . ?
S1 C1 H1B 109.0 . . ?
H1A C1 H1B 107.8 . . ?
C2 C1 S1 113.0(8) . . ?
C2 C1 H1A 109.0 . . ?
C2 C1 H1B 109.0 . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 C3 110.7(9) . . ?
H2A C2 H2B 108.1 . . ?
C3 C2 H2A 109.5 . . ?
C3 C2 H2B 109.5 . . ?
C4 C3 C2 121.6(12) . . ?
C4 C3 C8 117.8(14) . . ?
C8 C3 C2 120.6(13) . . ?
C3 C4 H4 119.5 . . ?
C3 C4 C5 121.1(16) . . ?
C5 C4 H4 119.5 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0(19) . . ?
C6 C5 H5 120.0 . . ?
C5 C6 H6 119.8 . . ?
C5 C6 C7 120.5(16) . . ?
C7 C6 H6 119.8 . . ?
C6 C7 H7 120.7 . . ?
C8 C7 C6 118.6(19) . . ?
C8 C7 H7 120.7 . . ?
C3 C8 H8 119.0 . . ?
C7 C8 C3 121.9(19) . . ?
C7 C8 H8 119.0 . . ?
S2 C9 H9A 109.8 . . ?
S2 C9 H9B 109.8 . . ?
H9A C9 H9B 108.2 . . ?
C10 C9 S2 109.6(9) . . ?
C10 C9 H9A 109.8 . . ?
C10 C9 H9B 109.8 . . ?
C9 C10 H10A 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C11 C10 C9 112.9(8) . . ?
C11 C10 H10A 109.0 . . ?
C11 C10 H10B 109.0 . . ?
C16 C11 C10 114.6(8) . . ?
C16 C11 C12 120.0 . . ?
C12 C11 C10 125.3(8) . . ?
C11 C16 H16 120.0 . . ?
C11 C16 C15 120.0 . . ?
C15 C16 H16 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 C16 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C14 C13 H13 120.0 . . ?
C14 C13 C12 120.0 . . ?
C12 C13 H13 120.0 . . ?
C11 C12 H12 120.0 . . ?
C13 C12 C11 120.0 . . ?
C13 C12 H12 120.0 . . ?
S3 C17 H17A 108.5 . . ?
S3 C17 H17B 108.5 . . ?
H17A C17 H17B 107.5 . . ?
C18 C17 S3 115.3(8) . . ?
C18 C17 H17A 108.5 . . ?
C18 C17 H17B 108.5 . . ?
C17 C18 H18A 109.1 . . ?
C17 C18 H18B 109.1 . . ?
C17 C18 C19 112.3(9) . . ?
H18A C18 H18B 107.9 . . ?
C19 C18 H18A 109.1 . . ?
C19 C18 H18B 109.1 . . ?
C20 C19 C18 119.2(10) . . ?
C24 C19 C18 121.2(10) . . ?
C24 C19 C20 119.6(11) . . ?
C19 C20 H20 119.7 . . ?
C19 C20 C21 120.6(12) . . ?
C21 C20 H20 119.7 . . ?
C20 C21 H21 120.6 . . ?
C22 C21 C20 118.8(13) . . ?
C22 C21 H21 120.6 . . ?
C21 C22 H22 121.4 . . ?
C23 C22 C21 117.2(12) . . ?
C23 C22 H22 121.4 . . ?
C22 C23 H23 118.4 . . ?
C24 C23 C22 123.3(13) . . ?
C24 C23 H23 118.4 . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.4(13) . . ?
C23 C24 H24 119.8 . . ?
S4 C25 H25A 109.2 . . ?
S4 C25 H25B 109.2 . . ?
H25A C25 H25B 107.9 . . ?
C26 C25 S4 112.1(7) . . ?
C26 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
C25 C26 H26A 108.9 . . ?
C25 C26 H26B 108.9 . . ?
H26A C26 H26B 107.7 . . ?
C27 C26 C25 113.2(8) . . ?
C27 C26 H26A 108.9 . . ?
C27 C26 H26B 108.9 . . ?
C28 C27 C26 118.6(10) . . ?
C32 C27 C26 124.4(10) . . ?
C32 C27 C28 116.6(11) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 C27 121.1(12) . . ?
C29 C28 H28 119.4 . . ?
C28 C29 H29 119.4 . . ?
C28 C29 C30 121.1(12) . . ?
C30 C29 H29 119.4 . . ?
C29 C30 H30 121.8 . . ?
C29 C30 C31 116.5(12) . . ?
C31 C30 H30 121.8 . . ?
C30 C31 H31 119.0 . . ?
C32 C31 C30 122.1(14) . . ?
C32 C31 H31 119.0 . . ?
C27 C32 H32 118.9 . . ?
C31 C32 C27 122.3(14) . . ?
C31 C32 H32 118.9 . . ?
S5 C33 H33A 109.1 . . ?
S5 C33 H33B 109.1 . . ?
H33A C33 H33B 107.8 . . ?
C34 C33 S5 112.5(7) . . ?
C34 C33 H33A 109.1 . . ?
C34 C33 H33B 109.1 . . ?
C33 C34 H34A 108.6 . . ?
C33 C34 H34B 108.6 . . ?
C33 C34 C35 114.6(9) . . ?
H34A C34 H34B 107.6 . . ?
C35 C34 H34A 108.6 . . ?
C35 C34 H34B 108.6 . . ?
C36 C35 C34 121.6(10) . . ?
C40 C35 C34 120.0(11) . . ?
C40 C35 C36 118.4(11) . . ?
C35 C36 H36 119.2 . . ?
C37 C36 C35 121.6(14) . . ?
C37 C36 H36 119.2 . . ?
C36 C37 H37 121.3 . . ?
C36 C37 C38 117.4(17) . . ?
C38 C37 H37 121.3 . . ?
C37 C38 H38 119.2 . . ?
C39 C38 C37 121.6(14) . . ?
C39 C38 H38 119.2 . . ?
C38 C39 H39 120.2 . . ?
C38 C39 C40 119.6(15) . . ?
C40 C39 H39 120.2 . . ?
C35 C40 H40 119.3 . . ?
C39 C40 C35 121.4(15) . . ?
C39 C40 H40 119.3 . . ?
S6 C41 H41A 109.8 . . ?
S6 C41 H41B 109.8 . . ?
H41A C41 H41B 108.2 . . ?
C42 C41 S6 109.4(7) . . ?
C42 C41 H41A 109.8 . . ?
C42 C41 H41B 109.8 . . ?
C41 C42 H42A 109.4 . . ?
C41 C42 H42B 109.4 . . ?
C41 C42 C43 111.0(10) . . ?
H42A C42 H42B 108.0 . . ?
C43 C42 H42A 109.4 . . ?
C43 C42 H42B 109.4 . . ?
C44 C43 C42 119.7(12) . . ?
C48 C43 C42 123.1(14) . . ?
C48 C43 C44 117.2(13) . . ?
C43 C44 H44 119.5 . . ?
C43 C44 C45 121.1(14) . . ?
C45 C44 H44 119.5 . . ?
C44 C45 H45 121.1 . . ?
C46 C45 C44 117.9(17) . . ?
C46 C45 H45 121.1 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.1(16) . . ?
C47 C46 H46 120.0 . . ?
C46 C47 H47 120.0 . . ?
C48 C47 C46 120.0(17) . . ?
C48 C47 H47 120.0 . . ?
C43 C48 C47 123.8(18) . . ?
C43 C48 H48 118.1 . . ?
C47 C48 H48 118.1 . . ?
S7 C49 H49A 109.0 . . ?
S7 C49 H49B 109.0 . . ?
H49A C49 H49B 107.8 . . ?
C50 C49 S7 112.9(8) . . ?
C50 C49 H49A 109.0 . . ?
C50 C49 H49B 109.0 . . ?
C49 C50 H50A 109.3 . . ?
C49 C50 H50B 109.3 . . ?
C49 C50 H50C 109.8 . . ?
C49 C50 H50D 109.8 . . ?
C49 C50 C51A 110(3) . . ?
H50A C50 H50B 108.0 . . ?
H50C C50 H50D 108.2 . . ?
C51 C50 C49 112(2) . . ?
C51 C50 H50A 109.3 . . ?
C51 C50 H50B 109.3 . . ?
C51A C50 H50C 109.8 . . ?
C51A C50 H50D 109.8 . . ?
C52 C51 C50 123(3) . . ?
C52 C51 C56 119(4) . . ?
C56 C51 C50 118(3) . . ?
C52A C51A C50 116(6) . . ?
C56A C51A C50 119(4) . . ?
C56A C51A C52A 124(5) . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 120(3) . . ?
C53 C52 H52 120.0 . . ?
C51A C52A H52A 120.8 . . ?
C53A C52A C51A 118(5) . . ?
C53A C52A H52A 120.8 . . ?
C52 C53 H53 118.8 . . ?
C54 C53 C52 122(2) . . ?
C54 C53 H53 118.8 . . ?
C52A C53A H53A 119.4 . . ?
C52A C53A C54A 121(4) . . ?
C54A C53A H53A 119.4 . . ?
C53 C54 H54 120.4 . . ?
C55 C54 C53 119(2) . . ?
C55 C54 H54 120.4 . . ?
C53A C54A H54A 121.2 . . ?
C53A C54A C55A 118(4) . . ?
C55A C54A H54A 121.2 . . ?
C54 C55 H55 119.7 . . ?
C54 C55 C56 121(3) . . ?
C56 C55 H55 119.7 . . ?
C54A C55A H55A 120.0 . . ?
C54A C55A C56A 120(4) . . ?
C56A C55A H55A 120.0 . . ?
C51 C56 C55 117(3) . . ?
C51 C56 H56 121.4 . . ?
C55 C56 H56 121.4 . . ?
C51A C56A C55A 115(4) . . ?
C51A C56A H56A 122.6 . . ?
C55A C56A H56A 122.6 . . ?
S8 C57 H57A 109.6 . . ?
S8 C57 H57B 109.6 . . ?
H57A C57 H57B 108.1 . . ?
C58 C57 S8 110.2(7) . . ?
C58 C57 H57A 109.6 . . ?
C58 C57 H57B 109.6 . . ?
C57 C58 H58A 109.0 . . ?
C57 C58 H58B 109.0 . . ?
H58A C58 H58B 107.8 . . ?
C59 C58 C57 113.0(8) . . ?
C59 C58 H58A 109.0 . . ?
C59 C58 H58B 109.0 . . ?
C60 C59 C58 122.4(9) . . ?
C64 C59 C58 120.7(10) . . ?
C64 C59 C60 116.5(9) . . ?
C59 C60 H60 119.0 . . ?
C61 C60 C59 121.9(10) . . ?
C61 C60 H60 119.0 . . ?
C60 C61 H61 120.2 . . ?
C60 C61 C62 119.7(11) . . ?
C62 C61 H61 120.2 . . ?
C61 C62 H62 120.6 . . ?
C63 C62 C61 118.8(10) . . ?
C63 C62 H62 120.6 . . ?
C62 C63 H63 119.4 . . ?
C64 C63 C62 121.1(10) . . ?
C64 C63 H63 119.4 . . ?
C59 C64 H64 119.2 . . ?
C63 C64 C59 121.6(11) . . ?
C63 C64 H64 119.2 . . ?
S9 C65 H65A 108.6 . . ?
S9 C65 H65B 108.6 . . ?
H65A C65 H65B 107.6 . . ?
C66 C65 S9 114.6(8) . . ?
C66 C65 H65A 108.6 . . ?
C66 C65 H65B 108.6 . . ?
C65 C66 H66A 108.7 . . ?
C65 C66 H66B 108.7 . . ?
H66A C66 H66B 107.6 . . ?
C67 C66 C65 114.3(9) . . ?
C67 C66 H66A 108.7 . . ?
C67 C66 H66B 108.7 . . ?
C68 C67 C66 118.9(11) . . ?
C72 C67 C66 122.6(11) . . ?
C72 C67 C68 118.6(12) . . ?
C67 C68 H68 119.4 . . ?
C69 C68 C67 121.1(13) . . ?
C69 C68 H68 119.4 . . ?
C68 C69 H69 119.8 . . ?
C68 C69 C70 120.4(13) . . ?
C70 C69 H69 119.8 . . ?
C69 C70 H70 121.8 . . ?
C71 C70 C69 116.5(13) . . ?
C71 C70 H70 121.8 . . ?
C70 C71 H71 117.6 . . ?
C70 C71 C72 124.8(14) . . ?
C72 C71 H71 117.6 . . ?
C67 C72 C71 118.6(12) . . ?
C67 C72 H72 120.7 . . ?
C71 C72 H72 120.7 . . ?
Cl1 C73 Cl1 119(6) 2_665 . ?
Cl1 C73 H73A 107.5 2_665 . ?
Cl1 C73 H73A 107.5 . . ?
Cl1 C73 H73B 107.5 . . ?
Cl1 C73 H73B 107.5 2_665 . ?
H73A C73 H73B 107.0 . . ?

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
Au1 S1 C1 C2 -71.6(9) . . . . ?
Au1 S2 C9 C10 -82.8(9) . . . . ?
Au2 S3 C17 C18 -60.4(9) . . . . ?
Au3 S4 C25 C26 176.2(6) . . . . ?
Au4 S7 C49 C50 -176.6(8) . . . . ?
Au5 S7 C49 C50 -83.9(9) . . . . ?
Au5 S8 C57 C58 -172.3(6) . . . . ?
Au7 S6 C41 C42 -171.6(8) . . . . ?
Au8 S9 C65 C66 151.0(7) . . . . ?
Au9 S3 C17 C18 33.2(10) . . . . ?
Au9 S5 C33 C34 -175.8(6) . . . . ?
Au10 S8 C57 C58 79.3(7) . . . . ?
Au10 S9 C65 C66 61.8(8) . . . . ?
Au11 S5 C33 C34 76.8(7) . . . . ?
Au11 S6 C41 C42 96.1(9) . . . . ?
Au12 S1 C1 C2 -162.8(8) . . . . ?
Au13 S2 C9 C10 170.1(7) . . . . ?
Au13 S4 C25 C26 84.6(7) . . . . ?
S1 C1 C2 C3 -168.4(9) . . . . ?
S2 C9 C10 C11 66.9(12) . . . . ?
S3 C17 C18 C19 -172.1(8) . . . . ?
S4 C25 C26 C27 75.1(10) . . . . ?
S5 C33 C34 C35 -173.6(7) . . . . ?
S6 C41 C42 C43 174.4(9) . . . . ?
S7 C49 C50 C51 -164.5(17) . . . . ?
S7 C49 C50 C51A -174(2) . . . . ?
S8 C57 C58 C59 70.7(10) . . . . ?
S9 C65 C66 C67 65.0(12) . . . . ?
C1 C2 C3 C4 -96.3(14) . . . . ?
C1 C2 C3 C8 83.9(16) . . . . ?
C2 C3 C4 C5 177.3(13) . . . . ?
C2 C3 C8 C7 -179.3(16) . . . . ?
C3 C4 C5 C6 2(2) . . . . ?
C4 C3 C8 C7 1(3) . . . . ?
C4 C5 C6 C7 2(3) . . . . ?
C5 C6 C7 C8 -4(3) . . . . ?
C6 C7 C8 C3 2(3) . . . . ?
C8 C3 C4 C5 -3(2) . . . . ?
C9 C10 C11 C16 -121.7(10) . . . . ?
C9 C10 C11 C12 61.8(12) . . . . ?
C10 C11 C16 C15 -176.7(7) . . . . ?
C10 C11 C12 C13 176.3(8) . . . . ?
C11 C16 C15 C14 0.0 . . . . ?
C16 C11 C12 C13 0.0 . . . . ?
C16 C15 C14 C13 0.0 . . . . ?
C15 C14 C13 C12 0.0 . . . . ?
C14 C13 C12 C11 0.0 . . . . ?
C12 C11 C16 C15 0.0 . . . . ?
C17 C18 C19 C20 -114.5(12) . . . . ?
C17 C18 C19 C24 65.8(15) . . . . ?
C18 C19 C20 C21 -178.2(12) . . . . ?
C18 C19 C24 C23 179.8(11) . . . . ?
C19 C20 C21 C22 -1(2) . . . . ?
C20 C19 C24 C23 0.1(19) . . . . ?
C20 C21 C22 C23 -1(2) . . . . ?
C21 C22 C23 C24 2(2) . . . . ?
C22 C23 C24 C19 -2(2) . . . . ?
C24 C19 C20 C21 1.6(19) . . . . ?
C25 C26 C27 C28 82.8(12) . . . . ?
C25 C26 C27 C32 -90.7(13) . . . . ?
C26 C27 C28 C29 -179.8(11) . . . . ?
C26 C27 C32 C31 177.7(13) . . . . ?
C27 C28 C29 C30 4(2) . . . . ?
C28 C27 C32 C31 4(2) . . . . ?
C28 C29 C30 C31 0(2) . . . . ?
C29 C30 C31 C32 -2(2) . . . . ?
C30 C31 C32 C27 0(2) . . . . ?
C32 C27 C28 C29 -5.8(18) . . . . ?
C33 C34 C35 C36 -35.8(16) . . . . ?
C33 C34 C35 C40 144.7(11) . . . . ?
C34 C35 C36 C37 -179.3(15) . . . . ?
C34 C35 C40 C39 -179.5(13) . . . . ?
C35 C36 C37 C38 -1(3) . . . . ?
C36 C35 C40 C39 1(2) . . . . ?
C36 C37 C38 C39 1(3) . . . . ?
C37 C38 C39 C40 0(3) . . . . ?
C38 C39 C40 C35 -1(3) . . . . ?
C40 C35 C36 C37 0(2) . . . . ?
C41 C42 C43 C44 -66.3(16) . . . . ?
C41 C42 C43 C48 115.4(14) . . . . ?
C42 C43 C44 C45 -176.8(13) . . . . ?
C42 C43 C48 C47 178.3(13) . . . . ?
C43 C44 C45 C46 -2(2) . . . . ?
C44 C43 C48 C47 0(2) . . . . ?
C44 C45 C46 C47 2(3) . . . . ?
C45 C46 C47 C48 0(2) . . . . ?
C46 C47 C48 C43 -1(2) . . . . ?
C48 C43 C44 C45 2(2) . . . . ?
C49 C50 C51 C52 128(4) . . . . ?
C49 C50 C51 C56 -43(4) . . . . ?
C49 C50 C51A C52A -125(5) . . . . ?
C49 C50 C51A C56A 61(6) . . . . ?
C50 C51 C52 C53 180(3) . . . . ?
C50 C51 C56 C55 178(3) . . . . ?
C50 C51A C52A C53A -170(4) . . . . ?
C50 C51A C56A C55A 176(4) . . . . ?
C51 C52 C53 C54 0(5) . . . . ?
C51A C52A C53A C54A -17(7) . . . . ?
C52 C51 C56 C55 6(5) . . . . ?
C52 C53 C54 C55 12(5) . . . . ?
C52A C51A C56A C55A 3(9) . . . . ?
C52A C53A C54A C55A 24(6) . . . . ?
C53 C54 C55 C56 -15(5) . . . . ?
C53A C54A C55A C56A -17(6) . . . . ?
C54 C55 C56 C51 6(5) . . . . ?
C54A C55A C56A C51A 5(7) . . . . ?
C56 C51 C52 C53 -9(6) . . . . ?
C56A C51A C52A C53A 3(9) . . . . ?
C57 C58 C59 C60 -88.4(12) . . . . ?
C57 C58 C59 C64 84.4(11) . . . . ?
C58 C59 C60 C61 180.0(10) . . . . ?
C58 C59 C64 C63 -179.1(10) . . . . ?
C59 C60 C61 C62 -5.3(17) . . . . ?
C60 C59 C64 C63 -5.9(16) . . . . ?
C60 C61 C62 C63 2.3(17) . . . . ?
C61 C62 C63 C64 -1.3(18) . . . . ?
C62 C63 C64 C59 3.3(18) . . . . ?
C64 C59 C60 C61 7.0(15) . . . . ?
C65 C66 C67 C68 98.8(12) . . . . ?
C65 C66 C67 C72 -81.7(14) . . . . ?
C66 C67 C68 C69 178.0(10) . . . . ?
C66 C67 C72 C71 -177.9(11) . . . . ?
C67 C68 C69 C70 0.7(18) . . . . ?
C68 C67 C72 C71 1.6(18) . . . . ?
C68 C69 C70 C71 -0.1(19) . . . . ?
C69 C70 C71 C72 0(2) . . . . ?
C70 C71 C72 C67 -1(2) . . . . ?
C72 C67 C68 C69 -1.5(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
