# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2018

####################################################################### 
# 
# 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_lwk614m
_database_code_depnum_ccdc_archive 'CCDC 1852139'
_audit_update_record             
;
2018-06-28 deposited with the CCDC.
2018-09-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H15 Au Cl Sb'
_chemical_formula_iupac          ?
_chemical_formula_weight         585.47
_chemical_absolute_configuration ?

_chemical_melting_point          ?

_space_group_crystal_system      orthorhombic
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   10.9035(3)
_cell_length_b                   11.9862(4)
_cell_length_c                   12.6785(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     1656.97(10)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    6292
_cell_measurement_theta_min      2.5252
_cell_measurement_theta_max      36.0880
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.320
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_exptl_crystal_density_diffrn    2.347
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1080

_exptl_absorpt_coefficient_mu    10.625
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.30
_exptl_absorpt_correction_T_max  0.68

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            25521
_diffrn_reflns_av_R_equivalents  0.0638
_diffrn_reflns_av_unetI/netI     0.0976
_diffrn_reflns_theta_min         2.46
_diffrn_reflns_theta_max         39.37
_diffrn_reflns_theta_full        39.37
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       22

_refine_special_details          
;
;

_reflns_number_total             9830
_reflns_number_gt                7535
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0419
_refine_ls_wR_factor_gt          0.0637
_refine_ls_wR_factor_ref         0.0736
_refine_ls_goodness_of_fit_ref   0.899
_refine_ls_restrained_S_all      0.899
_refine_ls_number_reflns         9830
_refine_ls_number_parameters     190
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'w=1/[σ²(Fo²)] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         1.471
_refine_diff_density_min         -1.942
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 
;

Flack x determined using 2545 quotients [(I+)-(I-)]/[(I+)+(I-)]
(Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.013(6)

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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    ?
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2017)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.73552(2) 0.32114(2) 0.48473(2) 0.01417(5) Uani d . . . 1 . .
C C1 0.5966(5) 0.5247(6) 0.2843(5) 0.0123(11) Uani d . . . 1 . .
C C2 0.4955(6) 0.4545(5) 0.2932(5) 0.0151(11) Uani d . . . 1 . .
H H2 0.494344 0.396977 0.34478 0.018 Uiso calc U . R 1 . .
C C3 0.3960(5) 0.4693(6) 0.2258(5) 0.0150(12) Uani d . . . 1 . .
H H3 0.326656 0.421587 0.230782 0.018 Uiso calc U . R 1 . .
C C4 0.3986(5) 0.5545(5) 0.1510(5) 0.0150(11) Uani d . . . 1 . .
H H4 0.331081 0.564557 0.10467 0.018 Uiso calc U . R 1 . .
C C5 0.5001(5) 0.6250(6) 0.1439(5) 0.0152(12) Uani d . . . 1 . .
H H5 0.501372 0.683862 0.0937 0.018 Uiso calc U . R 1 . .
C C6 0.5988(6) 0.6085(6) 0.2105(5) 0.0151(12) Uani d . . . 1 . .
H H6 0.668653 0.655482 0.205202 0.018 Uiso calc U . R 1 . .
C C7 0.7602(5) 0.6434(5) 0.4720(4) 0.0138(9) Uani d . . . 1 . .
C C8 0.6790(6) 0.7310(6) 0.4538(5) 0.0201(13) Uani d . . . 1 . .
H H8 0.623803 0.727404 0.395858 0.024 Uiso calc U . R 1 . .
C C9 0.6781(6) 0.8235(6) 0.5197(5) 0.0215(12) Uani d . . . 1 . .
H H9 0.622347 0.883016 0.507466 0.026 Uiso calc U . R 1 . .
C C10 0.7593(6) 0.8280(5) 0.6037(5) 0.0251(13) Uani d . . . 1 . .
H H10 0.758524 0.890931 0.649214 0.03 Uiso calc U . R 1 . .
C C11 0.8411(6) 0.7429(6) 0.6223(6) 0.0221(14) Uani d . . . 1 . .
H H11 0.896852 0.747537 0.679683 0.027 Uiso calc U . R 1 . .
C C12 0.8417(6) 0.6505(6) 0.5569(5) 0.0185(13) Uani d . . . 1 . .
H H12 0.89787 0.591479 0.569748 0.022 Uiso calc U . R 1 . .
C C13 0.8948(5) 0.5057(6) 0.2674(5) 0.0142(12) Uani d . . . 1 . .
C C14 0.9376(6) 0.6099(6) 0.2328(6) 0.0193(14) Uani d . . . 1 . .
H H14 0.910626 0.676867 0.265519 0.023 Uiso calc U . R 1 . .
C C15 1.0211(6) 0.6126(6) 0.1491(6) 0.0231(16) Uani d . . . 1 . .
H H15 1.051012 0.682424 0.124701 0.028 Uiso calc U . R 1 . .
C C16 1.0606(5) 0.5159(6) 0.1015(6) 0.0218(14) Uani d . . . 1 . .
H H16 1.11691 0.519263 0.044391 0.026 Uiso calc U . R 1 . .
C C17 1.0183(6) 0.4137(6) 0.1368(6) 0.0225(14) Uani d . . . 1 . .
H H17 1.045757 0.34683 0.104325 0.027 Uiso calc U . R 1 . .
C C18 0.9358(6) 0.4094(6) 0.2199(6) 0.0211(14) Uani d . . . 1 . .
H H18 0.907254 0.339082 0.244326 0.025 Uiso calc U . R 1 . .
Cl Cl1 0.71546(15) 0.16374(12) 0.58577(12) 0.0212(3) Uani d . . . 1 . .
Sb Sb1 0.75232(4) 0.49586(3) 0.38069(3) 0.01292(7) Uani 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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 Cl1 . 2.2909(15) ?
Au1 Sb1 . 2.4818(4) ?
C1 C6 . 1.373(9) ?
C1 C2 . 1.392(8) ?
C1 Sb1 . 2.120(6) ?
C2 C3 . 1.392(8) ?
C2 H2 . 0.95 ?
C3 C4 . 1.394(9) ?
C3 H3 . 0.95 ?
C4 C5 . 1.395(9) ?
C4 H4 . 0.95 ?
C5 C6 . 1.382(9) ?
C5 H5 . 0.95 ?
C6 H6 . 0.95 ?
C7 C8 . 1.393(8) ?
C7 C12 . 1.398(8) ?
C7 Sb1 . 2.115(5) ?
C8 C9 . 1.389(9) ?
C8 H8 . 0.95 ?
C9 C10 . 1.386(8) ?
C9 H9 . 0.95 ?
C10 C11 . 1.375(9) ?
C10 H10 . 0.95 ?
C11 C12 . 1.383(9) ?
C11 H11 . 0.95 ?
C12 H12 . 0.95 ?
C13 C18 . 1.377(9) ?
C13 C14 . 1.404(9) ?
C13 Sb1 . 2.119(6) ?
C14 C15 . 1.399(9) ?
C14 H14 . 0.95 ?
C15 C16 . 1.377(10) ?
C15 H15 . 0.95 ?
C16 C17 . 1.383(10) ?
C16 H16 . 0.95 ?
C17 C18 . 1.386(9) ?
C17 H17 . 0.95 ?
C18 H18 . 0.95 ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl1 Au1 Sb1 . . 177.68(4) ?
C6 C1 C2 . . 120.7(6) ?
C6 C1 Sb1 . . 119.9(5) ?
C2 C1 Sb1 . . 119.3(5) ?
C1 C2 C3 . . 119.4(6) ?
C1 C2 H2 . . 120.3 ?
C3 C2 H2 . . 120.3 ?
C2 C3 C4 . . 119.7(6) ?
C2 C3 H3 . . 120.2 ?
C4 C3 H3 . . 120.2 ?
C3 C4 C5 . . 120.3(6) ?
C3 C4 H4 . . 119.9 ?
C5 C4 H4 . . 119.9 ?
C6 C5 C4 . . 119.4(6) ?
C6 C5 H5 . . 120.3 ?
C4 C5 H5 . . 120.3 ?
C1 C6 C5 . . 120.6(6) ?
C1 C6 H6 . . 119.7 ?
C5 C6 H6 . . 119.7 ?
C8 C7 C12 . . 119.0(5) ?
C8 C7 Sb1 . . 120.9(4) ?
C12 C7 Sb1 . . 119.9(4) ?
C9 C8 C7 . . 120.4(6) ?
C9 C8 H8 . . 119.8 ?
C7 C8 H8 . . 119.8 ?
C10 C9 C8 . . 119.3(6) ?
C10 C9 H9 . . 120.4 ?
C8 C9 H9 . . 120.4 ?
C11 C10 C9 . . 121.2(6) ?
C11 C10 H10 . . 119.4 ?
C9 C10 H10 . . 119.4 ?
C10 C11 C12 . . 119.6(6) ?
C10 C11 H11 . . 120.2 ?
C12 C11 H11 . . 120.2 ?
C11 C12 C7 . . 120.5(6) ?
C11 C12 H12 . . 119.8 ?
C7 C12 H12 . . 119.8 ?
C18 C13 C14 . . 120.1(6) ?
C18 C13 Sb1 . . 119.2(5) ?
C14 C13 Sb1 . . 120.3(5) ?
C15 C14 C13 . . 118.3(7) ?
C15 C14 H14 . . 120.9 ?
C13 C14 H14 . . 120.9 ?
C16 C15 C14 . . 121.1(7) ?
C16 C15 H15 . . 119.4 ?
C14 C15 H15 . . 119.4 ?
C15 C16 C17 . . 119.9(6) ?
C15 C16 H16 . . 120.0 ?
C17 C16 H16 . . 120.0 ?
C16 C17 C18 . . 119.8(7) ?
C16 C17 H17 . . 120.1 ?
C18 C17 H17 . . 120.1 ?
C13 C18 C17 . . 120.8(7) ?
C13 C18 H18 . . 119.6 ?
C17 C18 H18 . . 119.6 ?
C7 Sb1 C13 . . 107.1(2) ?
C7 Sb1 C1 . . 102.2(2) ?
C13 Sb1 C1 . . 100.8(2) ?
C7 Sb1 Au1 . . 114.68(14) ?
C13 Sb1 Au1 . . 117.48(18) ?
C1 Sb1 Au1 . . 112.62(18) ?

####################################################################### 
# 
# 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_lwk600m
_database_code_depnum_ccdc_archive 'CCDC 1852140'
_audit_update_record             
;
2018-06-28 deposited with the CCDC.
2018-09-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C45.60 H51 Au2 Cl2 O0.90 Sb2'
_chemical_formula_weight         1321.79

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_H-M_alt        'P 21'
_space_group_name_Hall           'P 2yb'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z'

_cell_length_a                   12.1481(10)
_cell_length_b                   29.298(2)
_cell_length_c                   12.6050(10)
_cell_angle_alpha                90
_cell_angle_beta                 94.0574(15)
_cell_angle_gamma                90
_cell_volume                     4475.1(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    9963
_cell_measurement_theta_min      2.3551
_cell_measurement_theta_max      25.8905

_exptl_crystal_description       block
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_F_000             2503
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    7.882
_shelx_estimated_absorpt_T_min   0.451
_shelx_estimated_absorpt_T_max   0.649
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_process_details   
'TWINABS - Bruker AXS scaling for twinned crystals - Version 2012/1'
_exptl_absorpt_correction_T_min  0.29
_exptl_absorpt_correction_T_max  0.65
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)

_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            17915
_diffrn_reflns_av_unetI/netI     0.1095
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       41
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.135
_diffrn_reflns_theta_max         30.580
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.508
_diffrn_reflns_point_group_measured_fraction_full 0.510
_reflns_number_total             17915
_reflns_number_gt                14825
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     0.000
_reflns_Friedel_fraction_full    0.000

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
 Refined as a 4-component twin.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0931P)²+31.2528P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_abs_structure_details 
;
No quotients, so Flack parameter determined by classical intensity fit
;
_refine_ls_abs_structure_Flack   0.077(6)
_chemical_absolute_configuration ?
_refine_ls_number_reflns         17915
_refine_ls_number_parameters     958
_refine_ls_number_restraints     1472
_refine_ls_R_factor_all          0.0998
_refine_ls_R_factor_gt           0.0786
_refine_ls_wR_factor_ref         0.2134
_refine_ls_wR_factor_gt          0.1930
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_restrained_S_all      1.043
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1A Au 0.40146(9) 0.65738(3) 0.26056(9) 0.0389(2) Uani 1 1 d . U . . .
Au2A Au 0.26168(10) 0.62093(3) 0.42225(8) 0.0395(2) Uani 1 1 d . U . . .
Sb1A Sb 0.54182(16) 0.59928(6) 0.31069(16) 0.0399(4) Uani 1 1 d . U . . .
Sb2A Sb 0.30824(17) 0.67980(6) 0.56264(15) 0.0403(4) Uani 1 1 d . U . . .
Cl1A Cl 0.2891(7) 0.7188(2) 0.2074(7) 0.0486(16) Uani 1 1 d . U . . .
Cl2A Cl 0.2115(7) 0.5651(2) 0.3049(6) 0.0495(16) Uani 1 1 d . U . . .
C11A C 0.699(3) 0.6257(11) 0.300(2) 0.047(4) Uani 1 1 d . U . . .
C12A C 0.710(3) 0.6735(11) 0.275(3) 0.048(5) Uani 1 1 d . U . . .
H12A H 0.6467 0.6925 0.2644 0.058 Uiso 1 1 calc R U . . .
C13A C 0.818(3) 0.6917(12) 0.266(3) 0.052(5) Uani 1 1 d . U . . .
H13A H 0.8244 0.7223 0.2421 0.062 Uiso 1 1 calc R U . . .
C14A C 0.907(3) 0.6683(11) 0.288(3) 0.048(5) Uani 1 1 d . U . . .
C15A C 0.900(3) 0.6217(11) 0.311(2) 0.048(5) Uani 1 1 d . U . . .
H15A H 0.9660 0.6043 0.3234 0.057 Uiso 1 1 calc R U . . .
C16A C 0.798(3) 0.6006(12) 0.314(3) 0.050(5) Uani 1 1 d . U . . .
H16A H 0.7948 0.5687 0.3273 0.060 Uiso 1 1 calc R U . . .
C17A C 1.020(3) 0.6865(14) 0.283(3) 0.059(7) Uani 1 1 d . U . . .
H17A H 1.0741 0.6625 0.3032 0.088 Uiso 1 1 calc R U . . .
H17B H 1.0311 0.6969 0.2106 0.088 Uiso 1 1 calc R U . . .
H17C H 1.0310 0.7123 0.3324 0.088 Uiso 1 1 calc R U . . .
C21A C 0.536(3) 0.5378(10) 0.224(3) 0.046(4) Uani 1 1 d . U . . .
C22A C 0.587(3) 0.5016(11) 0.268(3) 0.048(5) Uani 1 1 d . U . . .
H22A H 0.6223 0.5033 0.3378 0.058 Uiso 1 1 calc R U . . .
C23A C 0.587(3) 0.4603(12) 0.210(3) 0.051(5) Uani 1 1 d . U . . .
H23A H 0.6174 0.4335 0.2418 0.061 Uiso 1 1 calc R U . . .
C24A C 0.542(2) 0.4589(10) 0.106(2) 0.041(4) Uani 1 1 d . U . . .
C25A C 0.490(3) 0.4977(10) 0.060(3) 0.046(5) Uani 1 1 d . U . . .
H25A H 0.4587 0.4970 -0.0113 0.055 Uiso 1 1 calc R U . . .
C26A C 0.487(3) 0.5364(11) 0.120(3) 0.047(5) Uani 1 1 d . U . . .
H26A H 0.4500 0.5627 0.0910 0.057 Uiso 1 1 calc R U . . .
C27A C 0.547(3) 0.4143(11) 0.045(2) 0.046(5) Uani 1 1 d . U . . .
H27A H 0.5127 0.4184 -0.0267 0.069 Uiso 1 1 calc R U . . .
H27B H 0.6245 0.4052 0.0411 0.069 Uiso 1 1 calc R U . . .
H27C H 0.5079 0.3905 0.0820 0.069 Uiso 1 1 calc R U . . .
C31A C 0.550(2) 0.5757(10) 0.467(2) 0.040(4) Uani 1 1 d . U . . .
C32A C 0.468(2) 0.5473(10) 0.504(2) 0.042(4) Uani 1 1 d . U . . .
H32A H 0.4137 0.5348 0.4551 0.050 Uiso 1 1 calc R U . . .
C33A C 0.465(3) 0.5369(10) 0.613(2) 0.045(4) Uani 1 1 d . U . . .
H33A H 0.4082 0.5180 0.6360 0.054 Uiso 1 1 calc R U . . .
C34A C 0.546(3) 0.5543(11) 0.686(3) 0.046(5) Uani 1 1 d . U . . .
C35A C 0.625(3) 0.5837(12) 0.649(3) 0.051(5) Uani 1 1 d . U . . .
H35A H 0.6808 0.5961 0.6978 0.062 Uiso 1 1 calc R U . . .
C36A C 0.625(3) 0.5950(10) 0.544(2) 0.044(4) Uani 1 1 d . U . . .
H36A H 0.6779 0.6165 0.5223 0.053 Uiso 1 1 calc R U . . .
C37A C 0.538(3) 0.5450(12) 0.806(3) 0.054(6) Uani 1 1 d . U . . .
H37A H 0.4778 0.5236 0.8158 0.081 Uiso 1 1 calc R U . . .
H37B H 0.6079 0.5317 0.8359 0.081 Uiso 1 1 calc R U . . .
H37C H 0.5243 0.5737 0.8428 0.081 Uiso 1 1 calc R U . . .
C41A C 0.206(3) 0.7398(10) 0.560(2) 0.042(4) Uani 1 1 d . U . . .
C42A C 0.142(3) 0.7485(11) 0.643(3) 0.049(5) Uani 1 1 d . U . . .
H42A H 0.1445 0.7288 0.7031 0.059 Uiso 1 1 calc R U . . .
C43A C 0.073(3) 0.7863(11) 0.638(3) 0.050(5) Uani 1 1 d . U . . .
H43A H 0.0243 0.7903 0.6925 0.060 Uiso 1 1 calc R U . . .
C44A C 0.072(3) 0.8166(12) 0.563(3) 0.052(5) Uani 1 1 d . U . . .
C45A C 0.137(3) 0.8078(13) 0.478(3) 0.058(5) Uani 1 1 d . U . . .
H45A H 0.1368 0.8290 0.4215 0.070 Uiso 1 1 calc R U . . .
C46A C 0.201(3) 0.7684(11) 0.475(3) 0.050(5) Uani 1 1 d . U . . .
H46A H 0.2406 0.7617 0.4145 0.060 Uiso 1 1 calc R U . . .
C47A C 0.000(3) 0.8583(13) 0.563(3) 0.063(7) Uani 1 1 d . U . . .
H47A H 0.0118 0.8767 0.4994 0.095 Uiso 1 1 calc R U . . .
H47B H -0.0773 0.8490 0.5614 0.095 Uiso 1 1 calc R U . . .
H47C H 0.0192 0.8764 0.6267 0.095 Uiso 1 1 calc R U . . .
C51A C 0.471(3) 0.7061(11) 0.567(3) 0.046(4) Uani 1 1 d . U . . .
C52A C 0.545(3) 0.6972(11) 0.651(3) 0.050(5) Uani 1 1 d . U . . .
H52A H 0.5201 0.6821 0.7120 0.060 Uiso 1 1 calc R U . . .
C53A C 0.657(3) 0.7103(11) 0.650(3) 0.051(5) Uani 1 1 d . U . . .
H53A H 0.7075 0.7036 0.7095 0.062 Uiso 1 1 calc R U . . .
C54A C 0.694(3) 0.7331(10) 0.561(2) 0.045(4) Uani 1 1 d . U . . .
C55A C 0.615(3) 0.7449(10) 0.480(2) 0.045(4) Uani 1 1 d . U . . .
H55A H 0.6380 0.7624 0.4216 0.054 Uiso 1 1 calc R U . . .
C56A C 0.505(3) 0.7321(10) 0.480(2) 0.044(4) Uani 1 1 d . U . . .
H56A H 0.4537 0.7406 0.4228 0.053 Uiso 1 1 calc R U . . .
C57A C 0.810(3) 0.7452(10) 0.557(2) 0.044(5) Uani 1 1 d . U . . .
H57A H 0.8519 0.7341 0.6206 0.065 Uiso 1 1 calc R U . . .
H57B H 0.8388 0.7312 0.4936 0.065 Uiso 1 1 calc R U . . .
H57C H 0.8170 0.7785 0.5523 0.065 Uiso 1 1 calc R U . . .
C61A C 0.288(3) 0.6526(11) 0.718(2) 0.046(4) Uani 1 1 d . U . . .
C62A C 0.307(2) 0.6780(10) 0.803(2) 0.040(4) Uani 1 1 d . U . . .
H62A H 0.3345 0.7082 0.7961 0.048 Uiso 1 1 calc R U . . .
C63A C 0.288(2) 0.6615(11) 0.901(2) 0.044(4) Uani 1 1 d . U . . .
H63A H 0.3030 0.6805 0.9614 0.053 Uiso 1 1 calc R U . . .
C64A C 0.247(3) 0.6171(11) 0.916(3) 0.048(5) Uani 1 1 d . U . . .
C65A C 0.230(3) 0.5921(11) 0.816(3) 0.048(5) Uani 1 1 d . U . . .
H65A H 0.2018 0.5618 0.8177 0.058 Uiso 1 1 calc R U . . .
C66A C 0.251(3) 0.6101(10) 0.724(2) 0.043(4) Uani 1 1 d . U . . .
H66A H 0.2402 0.5924 0.6615 0.052 Uiso 1 1 calc R U . . .
C67A C 0.214(3) 0.5963(13) 1.019(3) 0.057(7) Uani 1 1 d . U . . .
H67A H 0.1882 0.5650 1.0060 0.086 Uiso 1 1 calc R U . . .
H67B H 0.2775 0.5962 1.0713 0.086 Uiso 1 1 calc R U . . .
H67C H 0.1542 0.6145 1.0463 0.086 Uiso 1 1 calc R U . . .
Au1B Au 0.08954(10) 0.37345(3) 0.74489(10) 0.0419(2) Uani 1 1 d . U . . .
Au2B Au 0.26649(10) 0.40853(3) 0.89926(8) 0.0387(2) Uani 1 1 d . U . . .
Sb1B Sb -0.04308(17) 0.43415(6) 0.79448(16) 0.0416(4) Uani 1 1 d . U . . .
Sb2B Sb 0.23522(17) 0.35057(6) 1.03478(15) 0.0393(4) Uani 1 1 d . U . . .
Cl1B Cl 0.1966(7) 0.3167(2) 0.6912(8) 0.0555(19) Uani 1 1 d . U . . .
Cl2B Cl 0.2948(7) 0.4695(2) 0.7872(6) 0.0501(16) Uani 1 1 d . U . . .
C11B C -0.035(2) 0.4975(9) 0.718(2) 0.041(4) Uani 1 1 d . U . . .
C12B C -0.073(3) 0.5367(9) 0.762(2) 0.042(4) Uani 1 1 d . U . . .
H12B H -0.1024 0.5349 0.8302 0.050 Uiso 1 1 calc R U . . .
C13B C -0.071(3) 0.5784(10) 0.713(2) 0.043(4) Uani 1 1 d . U . . .
H13B H -0.1033 0.6045 0.7432 0.052 Uiso 1 1 calc R U . . .
C14B C -0.022(3) 0.5813(10) 0.617(2) 0.044(4) Uani 1 1 d . U . . .
C15B C 0.024(3) 0.5439(10) 0.572(2) 0.045(5) Uani 1 1 d . U . . .
H15B H 0.0590 0.5468 0.5071 0.054 Uiso 1 1 calc R U . . .
C16B C 0.017(3) 0.5009(10) 0.622(2) 0.044(4) Uani 1 1 d . U . . .
H16B H 0.0484 0.4746 0.5918 0.053 Uiso 1 1 calc R U . . .
C17B C -0.011(3) 0.6299(11) 0.570(3) 0.050(6) Uani 1 1 d . U . . .
H17D H -0.0490 0.6519 0.6131 0.075 Uiso 1 1 calc R U . . .
H17E H 0.0669 0.6381 0.5692 0.075 Uiso 1 1 calc R U . . .
H17F H -0.0451 0.6304 0.4967 0.075 Uiso 1 1 calc R U . . .
C21B C -0.042(2) 0.4518(10) 0.953(2) 0.042(4) Uani 1 1 d . U . . .
C22B C -0.125(3) 0.4429(10) 1.013(2) 0.043(4) Uani 1 1 d . U . . .
H22B H -0.1879 0.4276 0.9820 0.052 Uiso 1 1 calc R U . . .
C23B C -0.122(3) 0.4556(10) 1.122(2) 0.043(4) Uani 1 1 d . U . . .
H23B H -0.1844 0.4498 1.1612 0.052 Uiso 1 1 calc R U . . .
C24B C -0.030(3) 0.4761(10) 1.171(2) 0.044(4) Uani 1 1 d . U . . .
C25B C 0.057(3) 0.4889(11) 1.108(3) 0.048(5) Uani 1 1 d . U . . .
H25B H 0.1199 0.5043 1.1408 0.058 Uiso 1 1 calc R U . . .
C26B C 0.053(3) 0.4793(11) 1.001(3) 0.047(5) Uani 1 1 d . U . . .
H26B H 0.1096 0.4900 0.9590 0.057 Uiso 1 1 calc R U . . .
C27B C -0.022(3) 0.4873(12) 1.289(3) 0.050(6) Uani 1 1 d . U . . .
H27D H 0.0490 0.5017 1.3091 0.075 Uiso 1 1 calc R U . . .
H27E H -0.0820 0.5082 1.3049 0.075 Uiso 1 1 calc R U . . .
H27F H -0.0289 0.4591 1.3303 0.075 Uiso 1 1 calc R U . . .
C31B C -0.205(2) 0.4112(10) 0.769(2) 0.043(4) Uani 1 1 d . U . . .
C32B C -0.219(3) 0.3622(11) 0.767(3) 0.049(5) Uani 1 1 d . U . . .
H32B H -0.1579 0.3420 0.7724 0.058 Uiso 1 1 calc R U . . .
C33B C -0.330(3) 0.3457(11) 0.755(3) 0.048(5) Uani 1 1 d . U . . .
H33B H -0.3408 0.3136 0.7567 0.057 Uiso 1 1 calc R U . . .
C34B C -0.423(3) 0.3740(11) 0.741(3) 0.048(4) Uani 1 1 d . U . . .
C35B C -0.404(3) 0.4200(10) 0.744(2) 0.045(4) Uani 1 1 d . U . . .
H35B H -0.4662 0.4398 0.7372 0.054 Uiso 1 1 calc R U . . .
C36B C -0.300(3) 0.4395(11) 0.757(2) 0.047(5) Uani 1 1 d . U . . .
H36B H -0.2922 0.4718 0.7578 0.056 Uiso 1 1 calc R U . . .
C37B C -0.532(2) 0.3537(10) 0.716(2) 0.043(5) Uani 1 1 d . U . . .
H37D H -0.5257 0.3203 0.7188 0.064 Uiso 1 1 calc R U . . .
H37E H -0.5826 0.3639 0.7687 0.064 Uiso 1 1 calc R U . . .
H37F H -0.5602 0.3632 0.6451 0.064 Uiso 1 1 calc R U . . .
C41B C 0.266(3) 0.3739(10) 1.193(2) 0.044(4) Uani 1 1 d . U . . .
C42B C 0.268(2) 0.3462(10) 1.274(2) 0.041(4) Uani 1 1 d . U . . .
H42B H 0.2577 0.3143 1.2629 0.049 Uiso 1 1 calc R U . . .
C43B C 0.285(3) 0.3648(11) 1.383(3) 0.048(5) Uani 1 1 d . U . . .
H43B H 0.2907 0.3451 1.4432 0.058 Uiso 1 1 calc R U . . .
C44B C 0.291(2) 0.4126(11) 1.395(2) 0.044(4) Uani 1 1 d . U . . .
C45B C 0.292(3) 0.4387(11) 1.310(2) 0.046(4) Uani 1 1 d . U . . .
H45B H 0.3032 0.4706 1.3180 0.056 Uiso 1 1 calc R U . . .
C46B C 0.274(2) 0.4193(8) 1.2033(17) 0.030(3) Uani 1 1 d . U . . .
H46B H 0.2693 0.4385 1.1425 0.036 Uiso 1 1 calc R U . . .
C47B C 0.303(2) 0.4289(9) 1.509(2) 0.041(5) Uani 1 1 d . U . . .
H47D H 0.3000 0.4027 1.5574 0.061 Uiso 1 1 calc R U . . .
H47E H 0.3734 0.4448 1.5228 0.061 Uiso 1 1 calc R U . . .
H47F H 0.2422 0.4499 1.5220 0.061 Uiso 1 1 calc R U . . .
C51B C 0.317(3) 0.2878(10) 1.027(2) 0.044(4) Uani 1 1 d . U . . .
C52B C 0.266(3) 0.2500(10) 1.070(2) 0.046(5) Uani 1 1 d . U . . .
H52B H 0.2013 0.2546 1.1066 0.056 Uiso 1 1 calc R U . . .
C53B C 0.307(3) 0.2056(11) 1.061(2) 0.045(4) Uani 1 1 d . U . . .
H53B H 0.2704 0.1804 1.0910 0.054 Uiso 1 1 calc R U . . .
C54B C 0.406(2) 0.1989(10) 1.005(2) 0.041(4) Uani 1 1 d . U . . .
C55B C 0.450(3) 0.2382(10) 0.962(2) 0.045(5) Uani 1 1 d . U . . .
H55B H 0.5153 0.2351 0.9251 0.054 Uiso 1 1 calc R U . . .
C56B C 0.407(3) 0.2801(10) 0.969(2) 0.043(4) Uani 1 1 d . U . . .
H56B H 0.4394 0.3049 0.9339 0.052 Uiso 1 1 calc R U . . .
C57B C 0.449(3) 0.1529(10) 0.991(3) 0.046(5) Uani 1 1 d . U . . .
H57D H 0.4048 0.1310 1.0278 0.069 Uiso 1 1 calc R U . . .
H57E H 0.4456 0.1454 0.9146 0.069 Uiso 1 1 calc R U . . .
H57F H 0.5261 0.1514 1.0198 0.069 Uiso 1 1 calc R U . . .
C61B C 0.067(3) 0.3305(10) 1.038(2) 0.042(4) Uani 1 1 d . U . . .
C62B C 0.022(2) 0.3008(9) 0.958(2) 0.041(4) Uani 1 1 d . U . . .
H62B H 0.0666 0.2894 0.9045 0.050 Uiso 1 1 calc R U . . .
C63B C -0.085(3) 0.2894(10) 0.959(2) 0.044(4) Uani 1 1 d . U . . .
H63B H -0.1148 0.2690 0.9064 0.053 Uiso 1 1 calc R U . . .
C64B C -0.155(3) 0.3057(10) 1.034(2) 0.043(4) Uani 1 1 d . U . . .
C65B C -0.106(3) 0.3361(10) 1.109(2) 0.044(4) Uani 1 1 d . U . . .
H65B H -0.1504 0.3494 1.1595 0.052 Uiso 1 1 calc R U . . .
C66B C 0.002(3) 0.3472(10) 1.112(2) 0.044(4) Uani 1 1 d . U . . .
H66B H 0.0329 0.3668 1.1670 0.053 Uiso 1 1 calc R U . . .
C67B C -0.274(3) 0.2934(10) 1.031(3) 0.046(5) Uani 1 1 d . U . . .
H67D H -0.3079 0.3083 1.0897 0.069 Uiso 1 1 calc R U . . .
H67E H -0.3107 0.3036 0.9631 0.069 Uiso 1 1 calc R U . . .
H67F H -0.2813 0.2602 1.0371 0.069 Uiso 1 1 calc R U . . .
O1S O 0.911(2) 0.6316(8) 0.9516(19) 0.059(5) Uani 1 1 d D U . . .
C11S C 0.971(3) 0.6714(11) 0.964(3) 0.059(6) Uani 1 1 d D U . . .
H11A H 1.0412 0.6646 1.0059 0.071 Uiso 1 1 calc R U . . .
H11B H 0.9293 0.6934 1.0050 0.071 Uiso 1 1 calc R U . . .
C12S C 0.997(3) 0.6932(11) 0.860(3) 0.056(7) Uani 1 1 d D U . . .
H12C H 1.0398 0.7211 0.8746 0.084 Uiso 1 1 calc R U . . .
H12D H 1.0401 0.6719 0.8197 0.084 Uiso 1 1 calc R U . . .
H12E H 0.9281 0.7007 0.8188 0.084 Uiso 1 1 calc R U . . .
C13S C 0.876(3) 0.6131(11) 1.044(3) 0.056(6) Uani 1 1 d D U . . .
H13C H 0.8288 0.6352 1.0781 0.067 Uiso 1 1 calc R U . . .
H13D H 0.9414 0.6067 1.0934 0.067 Uiso 1 1 calc R U . . .
C14S C 0.814(3) 0.5698(12) 1.021(3) 0.062(7) Uani 1 1 d D U . . .
H14A H 0.7901 0.5572 1.0876 0.093 Uiso 1 1 calc R U . . .
H14B H 0.7489 0.5762 0.9726 0.093 Uiso 1 1 calc R U . . .
H14C H 0.8614 0.5478 0.9878 0.093 Uiso 1 1 calc R U . . .
O2S O 0.678(2) 0.3845(10) 0.396(2) 0.057(6) Uani 0.8 1 d D U P . .
C21S C 0.668(3) 0.4146(14) 0.480(3) 0.056(7) Uani 0.8 1 d D U P . .
H21A H 0.6655 0.3968 0.5463 0.067 Uiso 0.8 1 calc R U P . .
H21B H 0.5969 0.4310 0.4683 0.067 Uiso 0.8 1 calc R U P . .
C22S C 0.759(4) 0.4494(17) 0.495(4) 0.070(10) Uani 0.8 1 d D U P . .
H22C H 0.7458 0.4691 0.5551 0.105 Uiso 0.8 1 calc R U P . .
H22D H 0.8301 0.4336 0.5083 0.105 Uiso 0.8 1 calc R U P . .
H22E H 0.7614 0.4679 0.4301 0.105 Uiso 0.8 1 calc R U P . .
C23S C 0.594(4) 0.3529(16) 0.392(4) 0.069(8) Uani 0.8 1 d D U P . .
H23C H 0.5220 0.3689 0.3908 0.083 Uiso 0.8 1 calc R U P . .
H23D H 0.6009 0.3335 0.4561 0.083 Uiso 0.8 1 calc R U P . .
C24S C 0.596(5) 0.3234(16) 0.295(4) 0.069(9) Uani 0.8 1 d D U P . .
H24A H 0.5348 0.3014 0.2947 0.103 Uiso 0.8 1 calc R U P . .
H24B H 0.5871 0.3425 0.2314 0.103 Uiso 0.8 1 calc R U P . .
H24C H 0.6659 0.3070 0.2966 0.103 Uiso 0.8 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
Au1A Cl1A 2.327(7) . ?
Au1A Sb1A 2.460(2) . ?
Au1A Au2A 2.9441(14) . ?
Au2A Cl2A 2.259(7) . ?
Au2A Sb2A 2.507(2) . ?
Sb1A C11A 2.07(3) . ?
Sb1A C31A 2.09(3) . ?
Sb1A C21A 2.11(3) . ?
Sb2A C51A 2.12(3) . ?
Sb2A C61A 2.14(3) . ?
Sb2A C41A 2.15(3) . ?
C11A C16A 1.41(5) . ?
C11A C12A 1.44(4) . ?
C12A C13A 1.43(5) . ?
C13A C14A 1.30(5) . ?
C14A C15A 1.40(4) . ?
C14A C17A 1.48(5) . ?
C15A C16A 1.39(5) . ?
C21A C22A 1.33(4) . ?
C21A C26A 1.40(4) . ?
C22A C23A 1.42(5) . ?
C23A C24A 1.37(4) . ?
C24A C25A 1.41(4) . ?
C24A C27A 1.52(4) . ?
C25A C26A 1.37(4) . ?
C31A C32A 1.40(4) . ?
C31A C36A 1.40(4) . ?
C32A C33A 1.40(4) . ?
C33A C34A 1.40(5) . ?
C34A C35A 1.40(5) . ?
C34A C37A 1.54(4) . ?
C35A C36A 1.36(4) . ?
C41A C46A 1.36(4) . ?
C41A C42A 1.37(4) . ?
C42A C43A 1.39(5) . ?
C43A C44A 1.29(5) . ?
C44A C45A 1.39(5) . ?
C44A C47A 1.50(5) . ?
C45A C46A 1.40(5) . ?
C51A C52A 1.36(5) . ?
C51A C56A 1.43(4) . ?
C52A C53A 1.42(5) . ?
C53A C54A 1.41(4) . ?
C54A C55A 1.40(4) . ?
C54A C57A 1.46(4) . ?
C55A C56A 1.39(4) . ?
C61A C62A 1.31(4) . ?
C61A C66A 1.33(4) . ?
C62A C63A 1.36(4) . ?
C63A C64A 1.41(4) . ?
C64A C65A 1.46(4) . ?
C64A C67A 1.52(5) . ?
C65A C66A 1.32(4) . ?
Au1B Cl1B 2.245(8) . ?
Au1B Sb1B 2.508(2) . ?
Au1B Au2B 2.9784(16) . ?
Au2B Cl2B 2.317(7) . ?
Au2B Sb2B 2.457(2) . ?
Sb1B C21B 2.06(3) . ?
Sb1B C31B 2.08(3) . ?
Sb1B C11B 2.10(3) . ?
Sb2B C51B 2.10(3) . ?
Sb2B C41B 2.11(3) . ?
Sb2B C61B 2.13(3) . ?
C11B C12B 1.37(4) . ?
C11B C16B 1.41(4) . ?
C12B C13B 1.37(4) . ?
C13B C14B 1.39(4) . ?
C14B C15B 1.37(4) . ?
C14B C17B 1.55(4) . ?
C15B C16B 1.42(4) . ?
C21B C22B 1.33(4) . ?
C21B C26B 1.50(4) . ?
C22B C23B 1.42(4) . ?
C23B C24B 1.38(4) . ?
C24B C25B 1.42(4) . ?
C24B C27B 1.52(4) . ?
C25B C26B 1.37(4) . ?
C31B C36B 1.42(4) . ?
C31B C32B 1.45(4) . ?
C32B C33B 1.42(5) . ?
C33B C34B 1.41(5) . ?
C34B C35B 1.37(4) . ?
C34B C37B 1.46(4) . ?
C35B C36B 1.39(4) . ?
C41B C42B 1.30(4) . ?
C41B C46B 1.34(4) . ?
C42B C43B 1.48(4) . ?
C43B C44B 1.41(4) . ?
C44B C45B 1.32(4) . ?
C44B C47B 1.51(4) . ?
C45B C46B 1.46(4) . ?
C51B C56B 1.38(4) . ?
C51B C52B 1.39(4) . ?
C52B C53B 1.40(4) . ?
C53B C54B 1.46(4) . ?
C54B C55B 1.39(4) . ?
C54B C57B 1.46(4) . ?
C55B C56B 1.34(4) . ?
C61B C66B 1.36(4) . ?
C61B C62B 1.41(4) . ?
C62B C63B 1.35(4) . ?
C63B C64B 1.39(4) . ?
C64B C65B 1.40(4) . ?
C64B C67B 1.49(4) . ?
C65B C66B 1.35(4) . ?
O1S C13S 1.37(4) . ?
O1S C11S 1.38(3) . ?
C11S C12S 1.51(4) . ?
C13S C14S 1.49(4) . ?
O2S C23S 1.38(4) . ?
O2S C21S 1.38(4) . ?
C21S C22S 1.51(4) . ?
C23S C24S 1.49(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cl1A Au1A Sb1A 172.0(2) . . ?
Cl1A Au1A Au2A 97.16(19) . . ?
Sb1A Au1A Au2A 89.68(6) . . ?
Cl2A Au2A Sb2A 175.5(2) . . ?
Cl2A Au2A Au1A 87.2(2) . . ?
Sb2A Au2A Au1A 97.28(6) . . ?
C11A Sb1A C31A 101.8(12) . . ?
C11A Sb1A C21A 106.3(12) . . ?
C31A Sb1A C21A 102.0(12) . . ?
C11A Sb1A Au1A 110.4(9) . . ?
C31A Sb1A Au1A 117.2(8) . . ?
C21A Sb1A Au1A 117.5(9) . . ?
C51A Sb2A C61A 106.0(12) . . ?
C51A Sb2A C41A 103.8(12) . . ?
C61A Sb2A C41A 102.4(12) . . ?
C51A Sb2A Au2A 115.6(8) . . ?
C61A Sb2A Au2A 110.8(8) . . ?
C41A Sb2A Au2A 116.9(8) . . ?
C16A C11A C12A 116(3) . . ?
C16A C11A Sb1A 125(2) . . ?
C12A C11A Sb1A 119(2) . . ?
C13A C12A C11A 119(3) . . ?
C14A C13A C12A 123(3) . . ?
C13A C14A C15A 120(3) . . ?
C13A C14A C17A 125(3) . . ?
C15A C14A C17A 116(3) . . ?
C16A C15A C14A 120(3) . . ?
C15A C16A C11A 121(3) . . ?
C22A C21A C26A 122(3) . . ?
C22A C21A Sb1A 118(2) . . ?
C26A C21A Sb1A 121(2) . . ?
C21A C22A C23A 118(3) . . ?
C24A C23A C22A 120(3) . . ?
C23A C24A C25A 120(3) . . ?
C23A C24A C27A 119(3) . . ?
C25A C24A C27A 121(3) . . ?
C26A C25A C24A 118(3) . . ?
C25A C26A C21A 121(3) . . ?
C32A C31A C36A 117(3) . . ?
C32A C31A Sb1A 122(2) . . ?
C36A C31A Sb1A 120(2) . . ?
C31A C32A C33A 122(3) . . ?
C34A C33A C32A 120(3) . . ?
C35A C34A C33A 118(3) . . ?
C35A C34A C37A 122(3) . . ?
C33A C34A C37A 120(3) . . ?
C36A C35A C34A 122(3) . . ?
C35A C36A C31A 122(3) . . ?
C46A C41A C42A 119(3) . . ?
C46A C41A Sb2A 121(2) . . ?
C42A C41A Sb2A 120(2) . . ?
C41A C42A C43A 119(3) . . ?
C44A C43A C42A 124(3) . . ?
C43A C44A C45A 117(3) . . ?
C43A C44A C47A 122(3) . . ?
C45A C44A C47A 120(3) . . ?
C44A C45A C46A 122(4) . . ?
C41A C46A C45A 119(3) . . ?
C52A C51A C56A 119(3) . . ?
C52A C51A Sb2A 121(2) . . ?
C56A C51A Sb2A 120(2) . . ?
C51A C52A C53A 121(3) . . ?
C54A C53A C52A 120(3) . . ?
C55A C54A C53A 118(3) . . ?
C55A C54A C57A 121(3) . . ?
C53A C54A C57A 121(3) . . ?
C56A C55A C54A 123(3) . . ?
C55A C56A C51A 119(3) . . ?
C62A C61A C66A 122(3) . . ?
C62A C61A Sb2A 121(2) . . ?
C66A C61A Sb2A 118(2) . . ?
C61A C62A C63A 121(3) . . ?
C62A C63A C64A 122(3) . . ?
C63A C64A C65A 112(3) . . ?
C63A C64A C67A 127(3) . . ?
C65A C64A C67A 120(3) . . ?
C66A C65A C64A 122(3) . . ?
C65A C66A C61A 121(3) . . ?
Cl1B Au1B Sb1B 175.1(2) . . ?
Cl1B Au1B Au2B 92.6(2) . . ?
Sb1B Au1B Au2B 92.25(6) . . ?
Cl2B Au2B Sb2B 173.3(2) . . ?
Cl2B Au2B Au1B 89.9(2) . . ?
Sb2B Au2B Au1B 94.35(6) . . ?
C21B Sb1B C31B 100.1(11) . . ?
C21B Sb1B C11B 103.0(11) . . ?
C31B Sb1B C11B 106.7(12) . . ?
C21B Sb1B Au1B 117.2(8) . . ?
C31B Sb1B Au1B 110.4(8) . . ?
C11B Sb1B Au1B 117.5(8) . . ?
C51B Sb2B C41B 105.8(12) . . ?
C51B Sb2B C61B 102.4(12) . . ?
C41B Sb2B C61B 100.2(12) . . ?
C51B Sb2B Au2B 118.6(8) . . ?
C41B Sb2B Au2B 113.9(8) . . ?
C61B Sb2B Au2B 113.6(8) . . ?
C12B C11B C16B 119(3) . . ?
C12B C11B Sb1B 122(2) . . ?
C16B C11B Sb1B 120(2) . . ?
C11B C12B C13B 123(3) . . ?
C12B C13B C14B 118(3) . . ?
C15B C14B C13B 122(3) . . ?
C15B C14B C17B 122(3) . . ?
C13B C14B C17B 116(3) . . ?
C14B C15B C16B 119(3) . . ?
C11B C16B C15B 119(3) . . ?
C22B C21B C26B 118(3) . . ?
C22B C21B Sb1B 123(2) . . ?
C26B C21B Sb1B 119(2) . . ?
C21B C22B C23B 122(3) . . ?
C24B C23B C22B 121(3) . . ?
C23B C24B C25B 118(3) . . ?
C23B C24B C27B 122(3) . . ?
C25B C24B C27B 120(3) . . ?
C26B C25B C24B 121(3) . . ?
C25B C26B C21B 119(3) . . ?
C36B C31B C32B 119(3) . . ?
C36B C31B Sb1B 125(2) . . ?
C32B C31B Sb1B 116(2) . . ?
C33B C32B C31B 117(3) . . ?
C34B C33B C32B 124(3) . . ?
C35B C34B C33B 116(3) . . ?
C35B C34B C37B 124(3) . . ?
C33B C34B C37B 120(3) . . ?
C34B C35B C36B 124(3) . . ?
C35B C36B C31B 120(3) . . ?
C42B C41B C46B 123(3) . . ?
C42B C41B Sb2B 122(2) . . ?
C46B C41B Sb2B 115(2) . . ?
C41B C42B C43B 120(3) . . ?
C44B C43B C42B 118(3) . . ?
C45B C44B C43B 119(3) . . ?
C45B C44B C47B 126(3) . . ?
C43B C44B C47B 115(3) . . ?
C44B C45B C46B 121(3) . . ?
C41B C46B C45B 119(2) . . ?
C56B C51B C52B 118(3) . . ?
C56B C51B Sb2B 124(2) . . ?
C52B C51B Sb2B 117(2) . . ?
C51B C52B C53B 123(3) . . ?
C52B C53B C54B 118(3) . . ?
C55B C54B C57B 125(3) . . ?
C55B C54B C53B 115(3) . . ?
C57B C54B C53B 120(3) . . ?
C56B C55B C54B 125(3) . . ?
C55B C56B C51B 121(3) . . ?
C66B C61B C62B 120(3) . . ?
C66B C61B Sb2B 121(2) . . ?
C62B C61B Sb2B 119(2) . . ?
C63B C62B C61B 118(3) . . ?
C62B C63B C64B 124(3) . . ?
C63B C64B C65B 115(3) . . ?
C63B C64B C67B 122(3) . . ?
C65B C64B C67B 122(3) . . ?
C66B C65B C64B 123(3) . . ?
C65B C66B C61B 120(3) . . ?
C13S O1S C11S 115(3) . . ?
O1S C11S C12S 114(3) . . ?
O1S C13S C14S 111(3) . . ?
C23S O2S C21S 111(3) . . ?
O2S C21S C22S 115(3) . . ?
O2S C23S C24S 112(3) . . ?

_refine_diff_density_max         4.383
_refine_diff_density_min         -3.124
_refine_diff_density_rms         0.336


# start Validation Reply Form
_vrf_PLAT342_lwk600m             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.04523 Ang.  
RESPONSE: Poor quality of the crystals
;
_vrf_PLAT987_lwk600m             
;
PROBLEM: The Flack x is >> 0 -  Do a BASF/TWIN Refinement     Please Check
RESPONSE: The crsytal is twinned and refined as 4-component. 
;
# end Validation Reply Form
####################################################################### 
# 
# 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_lwk631m
_database_code_depnum_ccdc_archive 'CCDC 1852142'
_audit_update_record             
;
2018-06-28 deposited with the CCDC.
2018-09-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C85.25 H73.25 Au Cl6 Sb5'
_chemical_formula_weight         2116.10

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   18.6854(3)
_cell_length_b                   14.9411(3)
_cell_length_c                   28.6570(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.5030(10)
_cell_angle_gamma                90
_cell_volume                     7932.0(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    7774
_cell_measurement_theta_min      2.3524
_cell_measurement_theta_max      28.3623

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.772
_exptl_crystal_F_000             4083
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.080
_exptl_crystal_size_min          0.020
_exptl_absorpt_coefficient_mu    3.767
_shelx_estimated_absorpt_T_min   0.704
_shelx_estimated_absorpt_T_max   0.928
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_correction_T_min  0.76
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'
_diffrn_radiation_type           MoK\a
_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074
_diffrn_reflns_number            90524
_diffrn_reflns_av_unetI/netI     0.1446
_diffrn_reflns_av_R_equivalents  0.1411
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_theta_min         2.546
_diffrn_reflns_theta_max         30.021
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             23126
_reflns_number_gt                13100
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

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

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0241P)²+8.2014P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         23126
_refine_ls_number_parameters     897
_refine_ls_number_restraints     529
_refine_ls_R_factor_all          0.1416
_refine_ls_R_factor_gt           0.0628
_refine_ls_wR_factor_ref         0.1186
_refine_ls_wR_factor_gt          0.0928
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.015
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.24955(2) 0.74298(2) 0.49982(2) 0.01677(7) Uani 1 1 d . . . . .
Sb1 Sb 0.14313(3) 0.69768(4) 0.43423(2) 0.01928(12) Uani 1 1 d . . . . .
Sb2 Sb 0.22817(3) 0.90781(3) 0.52887(2) 0.01956(12) Uani 1 1 d . . . . .
Sb3 Sb 0.37390(2) 0.73905(4) 0.46497(2) 0.02032(12) Uani 1 1 d . . . . .
Sb4 Sb 0.25548(3) 0.62689(3) 0.57007(2) 0.01887(12) Uani 1 1 d . . . . .
Sb5 Sb 0.69702(3) 0.77107(4) 0.71871(2) 0.02610(19) Uani 0.9335(18) 1 d . . P A
1
C74 C 0.7685(4) 0.7243(6) 0.7789(3) 0.0215(19) Uani 0.9335(18) 1 d . U P A 1
C75 C 0.7944(4) 0.7812(6) 0.8160(3) 0.029(2) Uani 0.9335(18) 1 d . U P A 1
H75 H 0.7802 0.8423 0.8155 0.035 Uiso 0.9335(18) 1 calc R U P A 1
C76 C 0.8408(5) 0.7476(8) 0.8532(3) 0.045(3) Uani 0.9335(18) 1 d . U P A 1
H76 H 0.8578 0.7859 0.8788 0.054 Uiso 0.9335(18) 1 calc R U P A 1
C77 C 0.8632(5) 0.6592(10) 0.8540(4) 0.060(4) Uani 0.9335(18) 1 d . U P A 1
H77 H 0.8945 0.6369 0.8803 0.072 Uiso 0.9335(18) 1 calc R U P A 1
C78 C 0.8403(5) 0.6044(8) 0.8173(5) 0.057(4) Uani 0.9335(18) 1 d . U P A 1
H78 H 0.8573 0.5444 0.8172 0.069 Uiso 0.9335(18) 1 calc R U P A 1
C79 C 0.7926(5) 0.6357(6) 0.7802(3) 0.035(2) Uani 0.9335(18) 1 d . U P A 1
H79 H 0.7758 0.5964 0.7550 0.042 Uiso 0.9335(18) 1 calc R U P A 1
C80 C 0.6162(4) 0.8302(5) 0.7552(3) 0.0200(18) Uani 0.9335(18) 1 d . U P A 1
C81 C 0.6088(4) 0.8093(6) 0.8016(3) 0.0243(19) Uani 0.9335(18) 1 d . U P A 1
H81 H 0.6420 0.7694 0.8188 0.029 Uiso 0.9335(18) 1 calc R U P A 1
C82 C 0.5523(4) 0.8470(6) 0.8232(3) 0.028(2) Uani 0.9335(18) 1 d . U P A 1
H82 H 0.5479 0.8337 0.8551 0.033 Uiso 0.9335(18) 1 calc R U P A 1
C83 C 0.5036(4) 0.9034(6) 0.7977(3) 0.029(2) Uani 0.9335(18) 1 d . U P A 1
H83 H 0.4649 0.9276 0.8121 0.035 Uiso 0.9335(18) 1 calc R U P A 1
C84 C 0.5100(4) 0.9252(5) 0.7519(3) 0.0237(19) Uani 0.9335(18) 1 d . U P A 1
H84 H 0.4765 0.9650 0.7349 0.028 Uiso 0.9335(18) 1 calc R U P A 1
C85 C 0.5668(4) 0.8880(5) 0.7302(3) 0.0217(18) Uani 0.9335(18) 1 d . U P A 1
H85 H 0.5714 0.9025 0.6984 0.026 Uiso 0.9335(18) 1 calc R U P A 1
Cl1 Cl 0.62555(12) 0.62362(16) 0.72310(8) 0.0365(6) Uani 0.9335(18) 1 d . . P A
1
Cl2 Cl 0.76547(11) 0.92637(17) 0.72842(9) 0.0395(6) Uani 0.9335(18) 1 d . . P A
1
Cl7 Cl 0.6705(15) 0.791(2) 0.7479(10) 0.02610(19) Uani 0.0665(18) 1 d . . P A 2
C1 C 0.1214(4) 0.7806(5) 0.3738(3) 0.0211(17) Uani 1 1 d . U . . .
C2 C 0.1792(4) 0.8083(6) 0.3515(3) 0.029(2) Uani 1 1 d . U . . .
H2 H 0.2267 0.7885 0.3626 0.035 Uiso 1 1 calc R U . . .
C3 C 0.1673(5) 0.8653(6) 0.3129(3) 0.037(2) Uani 1 1 d . U . . .
H3 H 0.2068 0.8857 0.2980 0.044 Uiso 1 1 calc R U . . .
C4 C 0.0970(5) 0.8927(7) 0.2960(3) 0.046(3) Uani 1 1 d . U . . .
H4 H 0.0882 0.9305 0.2692 0.055 Uiso 1 1 calc R U . . .
C5 C 0.0408(4) 0.8637(6) 0.3188(3) 0.037(2) Uani 1 1 d . U . . .
H5 H -0.0071 0.8822 0.3077 0.044 Uiso 1 1 calc R U . . .
C6 C 0.0527(4) 0.8084(6) 0.3576(3) 0.029(2) Uani 1 1 d . U . . .
H6 H 0.0134 0.7897 0.3732 0.035 Uiso 1 1 calc R U . . .
C7 C 0.1516(4) 0.5721(5) 0.3998(3) 0.0221(17) Uani 1 1 d . U . . .
C8 C 0.1485(4) 0.5679(6) 0.3524(3) 0.032(2) Uani 1 1 d . U . . .
H8 H 0.1388 0.6206 0.3341 0.038 Uiso 1 1 calc R U . . .
C9 C 0.1595(5) 0.4866(6) 0.3300(3) 0.038(2) Uani 1 1 d . U . . .
H9 H 0.1572 0.4842 0.2967 0.046 Uiso 1 1 calc R U . . .
C10 C 0.1735(4) 0.4107(6) 0.3564(4) 0.039(2) Uani 1 1 d . U . . .
H10 H 0.1811 0.3554 0.3414 0.047 Uiso 1 1 calc R U . . .
C11 C 0.1765(5) 0.4144(6) 0.4043(3) 0.041(2) Uani 1 1 d . U . . .
H11 H 0.1859 0.3615 0.4226 0.049 Uiso 1 1 calc R U . . .
C12 C 0.1658(4) 0.4955(6) 0.4266(3) 0.030(2) Uani 1 1 d . U . . .
H12 H 0.1684 0.4982 0.4599 0.036 Uiso 1 1 calc R U . . .
C13 C 0.0388(4) 0.6898(5) 0.4551(3) 0.0221(17) Uani 1 1 d . U . . .
C14 C -0.0051(4) 0.6170(6) 0.4432(3) 0.036(2) Uani 1 1 d . U . . .
H14 H 0.0120 0.5698 0.4254 0.043 Uiso 1 1 calc R U . . .
C15 C -0.0745(5) 0.6108(7) 0.4567(3) 0.045(3) Uani 1 1 d . U . . .
H15 H -0.1048 0.5611 0.4474 0.054 Uiso 1 1 calc R U . . .
C16 C -0.0980(4) 0.6796(6) 0.4844(3) 0.036(2) Uani 1 1 d . U . . .
H16 H -0.1445 0.6766 0.4943 0.044 Uiso 1 1 calc R U . . .
C17 C -0.0536(4) 0.7518(6) 0.4972(3) 0.0289(19) Uani 1 1 d . U . . .
H17 H -0.0696 0.7987 0.5157 0.035 Uiso 1 1 calc R U . . .
C18 C 0.0145(4) 0.7555(6) 0.4829(3) 0.0285(19) Uani 1 1 d . U . . .
H18 H 0.0451 0.8047 0.4925 0.034 Uiso 1 1 calc R U . . .
C20 C 0.2130(4) 1.0129(5) 0.4777(3) 0.0200(17) Uani 1 1 d . U . . .
C21 C 0.1923(4) 0.9920(6) 0.4308(3) 0.0253(19) Uani 1 1 d . U . . .
H21 H 0.1816 0.9318 0.4220 0.030 Uiso 1 1 calc R U . . .
C22 C 0.1869(4) 1.0581(6) 0.3967(3) 0.028(2) Uani 1 1 d . U . . .
H22 H 0.1739 1.0430 0.3645 0.034 Uiso 1 1 calc R U . . .
C23 C 0.2008(4) 1.1465(6) 0.4099(3) 0.029(2) Uani 1 1 d . U . . .
H23 H 0.1962 1.1923 0.3867 0.035 Uiso 1 1 calc R U . . .
C24 C 0.2211(4) 1.1681(5) 0.4566(3) 0.0275(19) Uani 1 1 d . U . . .
H24 H 0.2308 1.2286 0.4655 0.033 Uiso 1 1 calc R U . . .
C25 C 0.2276(4) 1.1015(5) 0.4905(3) 0.0277(19) Uani 1 1 d . U . . .
H25 H 0.2420 1.1164 0.5226 0.033 Uiso 1 1 calc R U . . .
C26 C 0.1348(4) 0.9237(5) 0.5630(3) 0.0241(18) Uani 1 1 d . U . . .
C27 C 0.0832(4) 0.9887(6) 0.5493(3) 0.029(2) Uani 1 1 d . U . . .
H27 H 0.0902 1.0301 0.5251 0.034 Uiso 1 1 calc R U . . .
C28 C 0.0205(4) 0.9928(6) 0.5715(3) 0.036(2) Uani 1 1 d . U . . .
H28 H -0.0150 1.0371 0.5622 0.043 Uiso 1 1 calc R U . . .
C29 C 0.0102(4) 0.9331(6) 0.6065(3) 0.034(2) Uani 1 1 d . U . . .
H29 H -0.0326 0.9353 0.6210 0.041 Uiso 1 1 calc R U . . .
C30 C 0.0619(4) 0.8707(6) 0.6202(3) 0.038(2) Uani 1 1 d . U . . .
H30 H 0.0552 0.8304 0.6448 0.046 Uiso 1 1 calc R U . . .
C31 C 0.1236(4) 0.8651(6) 0.5989(3) 0.035(2) Uani 1 1 d . U . . .
H31 H 0.1588 0.8208 0.6088 0.042 Uiso 1 1 calc R U . . .
C32 C 0.3083(4) 0.9691(5) 0.5780(3) 0.0199(17) Uani 1 1 d . U . . .
C33 C 0.3806(4) 0.9634(5) 0.5713(3) 0.029(2) Uani 1 1 d . U . . .
H33 H 0.3934 0.9310 0.5451 0.035 Uiso 1 1 calc R U . . .
C34 C 0.4340(4) 1.0041(6) 0.6021(3) 0.033(2) Uani 1 1 d . U . . .
H34 H 0.4831 0.9997 0.5971 0.039 Uiso 1 1 calc R U . . .
C35 C 0.4153(5) 1.0509(6) 0.6400(3) 0.035(2) Uani 1 1 d . U . . .
H35 H 0.4516 1.0796 0.6611 0.042 Uiso 1 1 calc R U . . .
C36 C 0.3448(5) 1.0564(6) 0.6475(3) 0.038(2) Uani 1 1 d . U . . .
H36 H 0.3324 1.0877 0.6741 0.046 Uiso 1 1 calc R U . . .
C37 C 0.2911(4) 1.0165(6) 0.6161(3) 0.030(2) Uani 1 1 d . U . . .
H37 H 0.2420 1.0219 0.6211 0.037 Uiso 1 1 calc R U . . .
C38 C 0.4062(4) 0.6154(5) 0.4380(3) 0.0198(17) Uani 1 1 d . U . . .
C39 C 0.3578(4) 0.5694(5) 0.4062(3) 0.0256(19) Uani 1 1 d . U . . .
H39 H 0.3099 0.5915 0.3988 0.031 Uiso 1 1 calc R U . . .
C40 C 0.3777(5) 0.4917(6) 0.3850(3) 0.030(2) Uani 1 1 d . U . . .
H40 H 0.3436 0.4603 0.3635 0.036 Uiso 1 1 calc R U . . .
C41 C 0.4463(5) 0.4609(6) 0.3951(3) 0.034(2) Uani 1 1 d . U . . .
H41 H 0.4602 0.4078 0.3805 0.041 Uiso 1 1 calc R U . . .
C42 C 0.4960(5) 0.5060(6) 0.4265(3) 0.037(2) Uani 1 1 d . U . . .
H42 H 0.5439 0.4841 0.4332 0.044 Uiso 1 1 calc R U . . .
C43 C 0.4758(4) 0.5833(6) 0.4484(3) 0.0286(19) Uani 1 1 d . U . . .
H43 H 0.5096 0.6139 0.4704 0.034 Uiso 1 1 calc R U . . .
C44 C 0.3795(4) 0.8177(5) 0.4032(3) 0.0220(17) Uani 1 1 d . U . . .
C45 C 0.4044(4) 0.7782(5) 0.3646(3) 0.031(2) Uani 1 1 d . U . . .
H45 H 0.4234 0.7192 0.3670 0.037 Uiso 1 1 calc R U . . .
C46 C 0.4018(5) 0.8249(6) 0.3225(3) 0.038(2) Uani 1 1 d . U . . .
H46 H 0.4185 0.7977 0.2960 0.045 Uiso 1 1 calc R U . . .
C47 C 0.3745(4) 0.9118(6) 0.3193(3) 0.031(2) Uani 1 1 d . U . . .
H47 H 0.3721 0.9438 0.2905 0.037 Uiso 1 1 calc R U . . .
C48 C 0.3507(4) 0.9513(6) 0.3584(3) 0.033(2) Uani 1 1 d . U . . .
H48 H 0.3325 1.0108 0.3566 0.040 Uiso 1 1 calc R U . . .
C49 C 0.3538(4) 0.9033(6) 0.3999(3) 0.0261(19) Uani 1 1 d . U . . .
H49 H 0.3376 0.9304 0.4266 0.031 Uiso 1 1 calc R U . . .
C50 C 0.4689(4) 0.7810(5) 0.5089(3) 0.0206(17) Uani 1 1 d . U . . .
C51 C 0.5175(4) 0.8406(6) 0.4922(3) 0.032(2) Uani 1 1 d . U . . .
H51 H 0.5098 0.8609 0.4605 0.039 Uiso 1 1 calc R U . . .
C52 C 0.5770(4) 0.8695(6) 0.5225(3) 0.036(2) Uani 1 1 d . U . . .
H52 H 0.6091 0.9115 0.5115 0.043 Uiso 1 1 calc R U . . .
C53 C 0.5905(4) 0.8394(6) 0.5676(3) 0.039(2) Uani 1 1 d . U . . .
H53 H 0.6323 0.8586 0.5875 0.047 Uiso 1 1 calc R U . . .
C54 C 0.5429(5) 0.7809(6) 0.5837(3) 0.043(2) Uani 1 1 d . U . . .
H54 H 0.5518 0.7598 0.6152 0.052 Uiso 1 1 calc R U . . .
C55 C 0.4820(4) 0.7519(6) 0.5550(3) 0.035(2) Uani 1 1 d . U . . .
H55 H 0.4491 0.7121 0.5670 0.042 Uiso 1 1 calc R U . . .
C56 C 0.2845(4) 0.4920(5) 0.5556(3) 0.0215(17) Uani 1 1 d . U . . .
C57 C 0.2763(4) 0.4219(5) 0.5851(3) 0.0277(19) Uani 1 1 d . U . . .
H57 H 0.2547 0.4319 0.6129 0.033 Uiso 1 1 calc R U . . .
C58 C 0.2991(4) 0.3357(6) 0.5751(3) 0.030(2) Uani 1 1 d . U . . .
H58 H 0.2944 0.2881 0.5965 0.036 Uiso 1 1 calc R U . . .
C59 C 0.3283(4) 0.3202(6) 0.5342(3) 0.030(2) Uani 1 1 d . U . . .
H59 H 0.3430 0.2616 0.5267 0.036 Uiso 1 1 calc R U . . .
C60 C 0.3359(4) 0.3901(6) 0.5044(3) 0.035(2) Uani 1 1 d . U . . .
H60 H 0.3570 0.3798 0.4765 0.042 Uiso 1 1 calc R U . . .
C61 C 0.3135(4) 0.4750(6) 0.5140(3) 0.0266(19) Uani 1 1 d . U . . .
H61 H 0.3179 0.5221 0.4924 0.032 Uiso 1 1 calc R U . . .
C62 C 0.1638(4) 0.6042(5) 0.6064(3) 0.0246(18) Uani 1 1 d . U . . .
C63 C 0.1724(4) 0.5620(6) 0.6498(3) 0.030(2) Uani 1 1 d . U . . .
H63 H 0.2193 0.5470 0.6647 0.036 Uiso 1 1 calc R U . . .
C64 C 0.1116(5) 0.5416(6) 0.6717(3) 0.038(2) Uani 1 1 d . U . . .
H64 H 0.1169 0.5111 0.7010 0.046 Uiso 1 1 calc R U . . .
C65 C 0.0444(5) 0.5661(6) 0.6504(3) 0.041(2) Uani 1 1 d . U . . .
H65 H 0.0032 0.5535 0.6655 0.049 Uiso 1 1 calc R U . . .
C66 C 0.0361(4) 0.6089(6) 0.6074(3) 0.039(2) Uani 1 1 d . U . . .
H66 H -0.0107 0.6261 0.5932 0.047 Uiso 1 1 calc R U . . .
C67 C 0.0958(4) 0.6270(6) 0.5846(3) 0.033(2) Uani 1 1 d . U . . .
H67 H 0.0900 0.6547 0.5544 0.039 Uiso 1 1 calc R U . . .
C68 C 0.3352(4) 0.6614(5) 0.6269(3) 0.0223(18) Uani 1 1 d . U . . .
C69 C 0.3774(4) 0.6004(6) 0.6539(3) 0.030(2) Uani 1 1 d . U . . .
H69 H 0.3698 0.5382 0.6485 0.036 Uiso 1 1 calc R U . . .
C70 C 0.4306(4) 0.6284(6) 0.6888(3) 0.034(2) Uani 1 1 d . U . . .
H70 H 0.4596 0.5854 0.7070 0.041 Uiso 1 1 calc R U . . .
C71 C 0.4419(4) 0.7183(6) 0.6975(3) 0.0257(19) Uani 1 1 d . U . . .
H71 H 0.4792 0.7376 0.7211 0.031 Uiso 1 1 calc R U . . .
C72 C 0.3987(5) 0.7799(6) 0.6717(3) 0.036(2) Uani 1 1 d . U . . .
H72 H 0.4051 0.8420 0.6781 0.044 Uiso 1 1 calc R U . . .
C73 C 0.3453(5) 0.7510(6) 0.6362(3) 0.040(2) Uani 1 1 d . U . . .
H73 H 0.3158 0.7938 0.6183 0.047 Uiso 1 1 calc R U . . .
C86 C 0.9392(5) 0.8220(7) 0.7512(3) 0.045(3) Uani 1 1 d . U . . .
H86A H 0.9462 0.7883 0.7812 0.054 Uiso 1 1 calc R U . . .
H86B H 0.8910 0.8505 0.7481 0.054 Uiso 1 1 calc R U . . .
Cl3 Cl 1.00643(15) 0.9051(2) 0.75167(13) 0.0783(10) Uani 1 1 d . . . . .
Cl4 Cl 0.94438(17) 0.7489(2) 0.70398(11) 0.0754(10) Uani 1 1 d . . . . .
C87 C 0.2635(5) 0.6972(8) 0.2514(4) 0.054(3) Uani 0.830(4) 1 d D U P B 1
H87A H 0.2641 0.7292 0.2817 0.065 Uiso 0.830(4) 1 calc R U P B 1
H87B H 0.2923 0.7327 0.2314 0.065 Uiso 0.830(4) 1 calc R U P B 1
Cl5 Cl 0.30384(17) 0.5925(2) 0.26194(14) 0.0624(10) Uani 0.830(4) 1 d D . P B 1
Cl6 Cl 0.1758(2) 0.6906(3) 0.22423(16) 0.0975(15) Uani 0.830(4) 1 d D . P B 1
C87A C 0.2864(14) 0.621(5) 0.2280(15) 0.054(3) Uani 0.170(4) 1 d D U P B 2
H87C H 0.3039 0.6570 0.2027 0.065 Uiso 0.170(4) 1 calc R U P B 2
H87D H 0.3093 0.5615 0.2283 0.065 Uiso 0.170(4) 1 calc R U P B 2
Cl5A Cl 0.3118(8) 0.6735(12) 0.2817(6) 0.0624(10) Uani 0.170(4) 1 d D . P B 2
Cl6A Cl 0.1940(10) 0.6095(17) 0.2162(8) 0.0975(15) Uani 0.170(4) 1 d D . P B 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
Au1 Sb1 2.6399(6) . ?
Au1 Sb2 2.6467(6) . ?
Au1 Sb3 2.6468(5) . ?
Au1 Sb4 2.6488(6) . ?
Sb1 C13 2.116(7) . ?
Sb1 C1 2.124(7) . ?
Sb1 C7 2.135(8) . ?
Sb2 C26 2.122(7) . ?
Sb2 C32 2.125(7) . ?
Sb2 C20 2.142(7) . ?
Sb3 C38 2.120(7) . ?
Sb3 C50 2.132(7) . ?
Sb3 C44 2.138(8) . ?
Sb4 C68 2.122(8) . ?
Sb4 C56 2.142(8) . ?
Sb4 C62 2.145(7) . ?
Sb5 C80 2.138(8) . ?
Sb5 C74 2.155(8) . ?
Sb5 Cl1 2.588(2) . ?
Sb5 Cl2 2.646(2) . ?
C74 C75 1.397(12) . ?
C74 C79 1.398(12) . ?
C75 C76 1.378(12) . ?
C76 C77 1.386(16) . ?
C77 C78 1.359(16) . ?
C78 C79 1.377(14) . ?
C80 C81 1.390(10) . ?
C80 C85 1.392(11) . ?
C81 C82 1.409(10) . ?
C82 C83 1.377(12) . ?
C83 C84 1.374(11) . ?
C84 C85 1.412(10) . ?
C1 C6 1.372(10) . ?
C1 C2 1.387(9) . ?
C2 C3 1.392(11) . ?
C3 C4 1.400(12) . ?
C4 C5 1.378(11) . ?
C5 C6 1.380(11) . ?
C7 C8 1.356(10) . ?
C7 C12 1.383(11) . ?
C8 C9 1.400(11) . ?
C9 C10 1.370(12) . ?
C10 C11 1.369(12) . ?
C11 C12 1.396(11) . ?
C13 C18 1.378(10) . ?
C13 C14 1.378(11) . ?
C14 C15 1.403(10) . ?
C15 C16 1.403(12) . ?
C16 C17 1.380(11) . ?
C17 C18 1.388(10) . ?
C20 C21 1.384(10) . ?
C20 C25 1.392(10) . ?
C21 C22 1.383(11) . ?
C22 C23 1.389(11) . ?
C23 C24 1.381(11) . ?
C24 C25 1.384(11) . ?
C26 C31 1.388(11) . ?
C26 C27 1.389(11) . ?
C27 C28 1.405(10) . ?
C28 C29 1.374(12) . ?
C29 C30 1.362(12) . ?
C30 C31 1.376(10) . ?
C32 C37 1.373(10) . ?
C32 C33 1.391(9) . ?
C33 C34 1.384(11) . ?
C34 C35 1.375(11) . ?
C35 C36 1.364(11) . ?
C36 C37 1.391(11) . ?
C38 C39 1.380(10) . ?
C38 C43 1.382(10) . ?
C39 C40 1.385(10) . ?
C40 C41 1.358(11) . ?
C41 C42 1.381(12) . ?
C42 C43 1.391(11) . ?
C44 C49 1.365(11) . ?
C44 C45 1.386(10) . ?
C45 C46 1.390(11) . ?
C46 C47 1.394(11) . ?
C47 C48 1.390(11) . ?
C48 C49 1.384(11) . ?
C50 C55 1.383(11) . ?
C50 C51 1.398(10) . ?
C51 C52 1.388(12) . ?
C52 C53 1.360(12) . ?
C53 C54 1.371(12) . ?
C54 C55 1.384(11) . ?
C56 C57 1.368(10) . ?
C56 C61 1.394(10) . ?
C57 C58 1.397(11) . ?
C58 C59 1.377(10) . ?
C59 C60 1.366(11) . ?
C60 C61 1.375(11) . ?
C62 C67 1.383(11) . ?
C62 C63 1.385(11) . ?
C63 C64 1.400(10) . ?
C64 C65 1.372(12) . ?
C65 C66 1.380(12) . ?
C66 C67 1.392(10) . ?
C68 C73 1.373(11) . ?
C68 C69 1.376(11) . ?
C69 C70 1.380(11) . ?
C70 C71 1.378(11) . ?
C71 C72 1.374(11) . ?
C72 C73 1.397(12) . ?
C86 Cl4 1.753(9) . ?
C86 Cl3 1.764(9) . ?
C87 Cl6 1.724(10) . ?
C87 Cl5 1.745(10) . ?
C87A Cl6A 1.725(17) . ?
C87A Cl5A 1.737(17) . ?

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
Sb1 Au1 Sb2 109.386(19) . . ?
Sb1 Au1 Sb3 110.022(18) . . ?
Sb2 Au1 Sb3 108.378(18) . . ?
Sb1 Au1 Sb4 109.034(19) . . ?
Sb2 Au1 Sb4 111.305(18) . . ?
Sb3 Au1 Sb4 108.703(18) . . ?
C13 Sb1 C1 100.3(3) . . ?
C13 Sb1 C7 102.0(3) . . ?
C1 Sb1 C7 98.8(3) . . ?
C13 Sb1 Au1 116.7(2) . . ?
C1 Sb1 Au1 118.5(2) . . ?
C7 Sb1 Au1 117.4(2) . . ?
C26 Sb2 C32 101.3(3) . . ?
C26 Sb2 C20 101.0(3) . . ?
C32 Sb2 C20 99.0(3) . . ?
C26 Sb2 Au1 114.6(2) . . ?
C32 Sb2 Au1 119.2(2) . . ?
C20 Sb2 Au1 118.6(2) . . ?
C38 Sb3 C50 102.5(3) . . ?
C38 Sb3 C44 97.5(3) . . ?
C50 Sb3 C44 101.5(3) . . ?
C38 Sb3 Au1 117.55(18) . . ?
C50 Sb3 Au1 118.38(18) . . ?
C44 Sb3 Au1 116.13(18) . . ?
C68 Sb4 C56 102.0(3) . . ?
C68 Sb4 C62 101.0(3) . . ?
C56 Sb4 C62 100.6(3) . . ?
C68 Sb4 Au1 112.3(2) . . ?
C56 Sb4 Au1 117.1(2) . . ?
C62 Sb4 Au1 121.1(2) . . ?
C80 Sb5 C74 98.4(3) . . ?
C80 Sb5 Cl1 85.8(2) . . ?
C74 Sb5 Cl1 87.4(2) . . ?
C80 Sb5 Cl2 87.1(2) . . ?
C74 Sb5 Cl2 87.7(2) . . ?
Cl1 Sb5 Cl2 170.64(8) . . ?
C75 C74 C79 118.5(8) . . ?
C75 C74 Sb5 121.9(6) . . ?
C79 C74 Sb5 119.5(7) . . ?
C76 C75 C74 119.2(9) . . ?
C75 C76 C77 121.2(10) . . ?
C78 C77 C76 119.9(10) . . ?
C77 C78 C79 120.0(11) . . ?
C78 C79 C74 121.1(10) . . ?
C81 C80 C85 119.4(7) . . ?
C81 C80 Sb5 122.7(6) . . ?
C85 C80 Sb5 117.8(6) . . ?
C80 C81 C82 120.2(8) . . ?
C83 C82 C81 119.5(8) . . ?
C84 C83 C82 121.2(7) . . ?
C83 C84 C85 119.5(8) . . ?
C80 C85 C84 120.1(8) . . ?
C6 C1 C2 120.2(7) . . ?
C6 C1 Sb1 121.5(5) . . ?
C2 C1 Sb1 118.2(6) . . ?
C1 C2 C3 119.8(8) . . ?
C2 C3 C4 119.9(8) . . ?
C5 C4 C3 118.9(8) . . ?
C4 C5 C6 121.1(8) . . ?
C1 C6 C5 120.0(7) . . ?
C8 C7 C12 119.8(8) . . ?
C8 C7 Sb1 120.5(6) . . ?
C12 C7 Sb1 119.4(6) . . ?
C7 C8 C9 120.7(8) . . ?
C10 C9 C8 119.6(8) . . ?
C11 C10 C9 120.1(8) . . ?
C10 C11 C12 120.2(9) . . ?
C7 C12 C11 119.6(8) . . ?
C18 C13 C14 118.3(7) . . ?
C18 C13 Sb1 120.6(6) . . ?
C14 C13 Sb1 121.0(6) . . ?
C13 C14 C15 121.7(8) . . ?
C16 C15 C14 118.4(8) . . ?
C17 C16 C15 120.1(7) . . ?
C16 C17 C18 119.6(8) . . ?
C13 C18 C17 121.7(8) . . ?
C21 C20 C25 119.4(7) . . ?
C21 C20 Sb2 119.7(6) . . ?
C25 C20 Sb2 120.8(6) . . ?
C22 C21 C20 120.7(8) . . ?
C21 C22 C23 119.5(8) . . ?
C24 C23 C22 120.2(8) . . ?
C23 C24 C25 120.0(8) . . ?
C24 C25 C20 120.2(8) . . ?
C31 C26 C27 119.0(7) . . ?
C31 C26 Sb2 118.9(6) . . ?
C27 C26 Sb2 122.0(6) . . ?
C26 C27 C28 119.5(8) . . ?
C29 C28 C27 120.4(8) . . ?
C30 C29 C28 119.5(7) . . ?
C29 C30 C31 121.2(8) . . ?
C30 C31 C26 120.4(8) . . ?
C37 C32 C33 118.3(7) . . ?
C37 C32 Sb2 122.1(5) . . ?
C33 C32 Sb2 119.6(6) . . ?
C34 C33 C32 121.2(8) . . ?
C35 C34 C33 119.3(8) . . ?
C36 C35 C34 120.3(8) . . ?
C35 C36 C37 120.2(8) . . ?
C32 C37 C36 120.6(7) . . ?
C39 C38 C43 119.2(7) . . ?
C39 C38 Sb3 118.7(5) . . ?
C43 C38 Sb3 121.8(6) . . ?
C38 C39 C40 121.1(7) . . ?
C41 C40 C39 119.4(8) . . ?
C40 C41 C42 120.6(8) . . ?
C41 C42 C43 120.1(8) . . ?
C38 C43 C42 119.5(8) . . ?
C49 C44 C45 119.6(7) . . ?
C49 C44 Sb3 121.2(5) . . ?
C45 C44 Sb3 119.0(6) . . ?
C44 C45 C46 120.2(8) . . ?
C45 C46 C47 119.7(8) . . ?
C48 C47 C46 119.7(8) . . ?
C49 C48 C47 119.4(8) . . ?
C44 C49 C48 121.4(8) . . ?
C55 C50 C51 119.0(7) . . ?
C55 C50 Sb3 120.0(5) . . ?
C51 C50 Sb3 120.9(6) . . ?
C52 C51 C50 119.2(8) . . ?
C53 C52 C51 121.7(8) . . ?
C52 C53 C54 118.9(9) . . ?
C53 C54 C55 121.3(9) . . ?
C50 C55 C54 119.9(8) . . ?
C57 C56 C61 118.4(7) . . ?
C57 C56 Sb4 123.3(6) . . ?
C61 C56 Sb4 118.3(6) . . ?
C56 C57 C58 121.2(7) . . ?
C59 C58 C57 119.7(8) . . ?
C60 C59 C58 119.2(8) . . ?
C59 C60 C61 121.5(8) . . ?
C60 C61 C56 120.1(8) . . ?
C67 C62 C63 120.7(7) . . ?
C67 C62 Sb4 119.0(6) . . ?
C63 C62 Sb4 120.1(6) . . ?
C62 C63 C64 119.7(8) . . ?
C65 C64 C63 119.5(9) . . ?
C64 C65 C66 120.6(8) . . ?
C65 C66 C67 120.5(8) . . ?
C62 C67 C66 119.0(8) . . ?
C73 C68 C69 118.9(8) . . ?
C73 C68 Sb4 116.8(6) . . ?
C69 C68 Sb4 124.3(6) . . ?
C68 C69 C70 120.8(8) . . ?
C71 C70 C69 120.4(8) . . ?
C72 C71 C70 119.4(8) . . ?
C71 C72 C73 119.9(8) . . ?
C68 C73 C72 120.6(8) . . ?
Cl4 C86 Cl3 109.5(5) . . ?
Cl6 C87 Cl5 113.0(7) . . ?
Cl6A C87A Cl5A 111.7(18) . . ?

_refine_diff_density_max         1.443
_refine_diff_density_min         -1.618
_refine_diff_density_rms         0.253

####################################################################### 
# 
# 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_lwk545m
_database_code_depnum_ccdc_archive 'CCDC 1852141'
_audit_update_record             
;
2018-06-28 deposited with the CCDC.
2018-09-17 downloaded from the CCDC.
;
# start Validation Reply Form
_vrf_PLAT971_lwk545m             
;
PROBLEM: Check Calcd Resid. Dens.  0.74A   From Au25            3.61 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT342_lwk545m             
;
PROBLEM: Low Bond Precision on  C-C Bonds ...............    0.02817 Ang.
RESPONSE: This is due to poor quality of the crystals.
;
_vrf_PLAT411_lwk545m             
;
PROBLEM: Short Inter H...H Contact  H15I     ..H83A             1.99 Ang.
RESPONSE: This is due to extensive presence of disorder in the crystal.
;
_vrf_PLAT910_lwk545m             
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).         22 Note
RESPONSE: Due to instrument limitation those data cannot be collected
;
_vrf_PLAT971_lwk545m_2           
;
PROBLEM: Check Calcd Resid. Dens.  0.75A   From Au26            3.39 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_3           
;
PROBLEM: Check Calcd Resid. Dens.  1.09A   From Au13            3.26 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_4           
;
PROBLEM: Check Calcd Resid. Dens.  0.76A   From Au10            3.01 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_5           
;
PROBLEM: Check Calcd Resid. Dens.  0.90A   From Au10            2.91 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_6           
;
PROBLEM: Check Calcd Resid. Dens.  1.03A   From Sb6             2.87 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_7           
;
PROBLEM: Check Calcd Resid. Dens.  0.97A   From Sb4             2.83 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_8           
;
PROBLEM: Check Calcd Resid. Dens.  0.68A   From Au21            2.60 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_9           
;
PROBLEM: Check Calcd Resid. Dens.  0.92A   From Au24            2.60 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_10          
;
PROBLEM: Check Calcd Resid. Dens.  1.96A   From Cl6S            2.54 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_11          
;
PROBLEM: Check Calcd Resid. Dens.  0.73A   From Au32            2.53 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT972_lwk545m             
;
PROBLEM: Check Calcd Resid. Dens.  1.55A   From Au9            -2.79 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions.
;
_vrf_PLAT972_lwk545m_2           
;
PROBLEM: Check Calcd Resid. Dens.  1.81A   From Au2            -2.55 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions.
;
_vrf_PLAT972_lwk545m_3           
;
PROBLEM: Check Calcd Resid. Dens.  2.48A   From C139           -2.54 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions.
;
_vrf_PLAT411_lwk545m_2           
;
PROBLEM: Short Inter H...H Contact  H12C     ..H13B             2.01 Ang.
RESPONSE: This is due to extensive presence of disorder in the crystal.
;
_vrf_PLAT971_lwk545m_12          
;
PROBLEM: Check Calcd Resid. Dens.  0.86A   From Au31            2.48 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_13          
;
PROBLEM: Check Calcd Resid. Dens.  0.37A   From C3S             2.35 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_14          
;
PROBLEM: Check Calcd Resid. Dens.  0.96A   From Cl6S            2.33 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_15          
;
PROBLEM: Check Calcd Resid. Dens.  0.90A   From Au3             2.32 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_16          
;
PROBLEM: Check Calcd Resid. Dens.  0.92A   From Au4             2.25 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_17          
;
PROBLEM: Check Calcd Resid. Dens.  0.83A   From Sb1             2.23 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_18          
;
PROBLEM: Check Calcd Resid. Dens.  1.04A   From Sb2             2.17 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_19          
;
PROBLEM: Check Calcd Resid. Dens.  0.93A   From Au9             2.14 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_20          
;
PROBLEM: Check Calcd Resid. Dens.  0.84A   From Au13            2.14 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_21          
;
PROBLEM: Check Calcd Resid. Dens.  0.70A   From Au27            2.11 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_22          
;
PROBLEM: Check Calcd Resid. Dens.  0.73A   From Sb3             2.08 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_23          
;
PROBLEM: Check Calcd Resid. Dens.  0.68A   From Cl2S            2.05 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_24          
;
PROBLEM: Check Calcd Resid. Dens.  1.04A   From Au7             2.05 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
_vrf_PLAT971_lwk545m_25          
;
PROBLEM: Check Calcd Resid. Dens.  1.19A   From Au8             2.05 eA-3
RESPONSE: The heavy Au atoms are disordered over multiple positions and Au25 is modelled over two positions only.
;
# Added during the CSD deposition process: Thursday 28 June 2018 04:33 AM
# end Validation Reply Form

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C169 H142 Au13 B Cl6 Sb8'
_chemical_formula_iupac          ?
_chemical_formula_weight         5930.89

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_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                   16.7528(8)
_cell_length_b                   46.762(2)
_cell_length_c                   22.2312(11)
_cell_angle_alpha                90
_cell_angle_beta                 96.6202(16)
_cell_angle_gamma                90
_cell_volume                     17299.7(14)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9623
_cell_measurement_theta_min      2.2607
_cell_measurement_theta_max      27.1297
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.313
_exptl_crystal_size_mid          0.112
_exptl_crystal_size_min          0.088
_exptl_crystal_density_diffrn    2.277
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             10792

_exptl_absorpt_coefficient_mu    12.337
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.19
_exptl_absorpt_correction_T_max  0.41

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            32796
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_theta_min         2.26
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_full        25.68
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_av_R_equivalents  0.0744
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       57
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       27

_refine_special_details          
;

DCM solvate. DCM at four positions, with occ refined summed to unity; 
C and Cl given common U[iso] and SADI on C-Cl and Cl-Cl. disorder 
of some heavy atoms (7 Au and 2 Sb) modelled, with around 6%
;

_reflns_number_total             32796
_reflns_number_gt                26327
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0955
_refine_ls_R_factor_gt           0.0741
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.1914
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.029
_refine_ls_number_reflns         32796
_refine_ls_number_parameters     1481
_refine_ls_number_restraints     3392
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0457P)²+1154.9790P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         3.483
_refine_diff_density_min         -2.382
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2016)'
_computing_cell_refinement       'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_data_reduction        'SAINT V8.37A (Bruker AXS Inc., 2015)'
_computing_structure_solution    'SHELXT (Bruker AXS Inc., 2016)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'shelXle (C.B. Huebschle, rev 786)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2016)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au2 0.23147(4) 0.54885(2) 0.21462(3) 0.03289(16) Uani d U . . 1.0 . .
Au Au3 0.28370(4) 0.57233(2) 0.33302(3) 0.03487(16) Uani d U . . 1.0 . .
Au Au8 0.29868(4) 0.63293(2) 0.31767(4) 0.03790(17) Uani d U . . 1.0 . .
Au Au9 0.34235(4) 0.59581(2) 0.22435(3) 0.03356(16) Uani d U . . 1.0 . .
Au Au10 0.11965(4) 0.55637(2) 0.30428(4) 0.03779(17) Uani d U . . 1.0 . .
Au Au13 0.18534(4) 0.60191(2) 0.24795(3) 0.02986(15) Uani d U . . 1.0 . .
Sb Sb1 0.24026(9) 0.58848(4) 0.01812(7) 0.0523(4) Uani d U . . 1.0 . .
Sb Sb2 0.26876(8) 0.49940(3) 0.18186(6) 0.0378(3) Uani d U . . 1.0 . .
Sb Sb3 0.36841(8) 0.54183(3) 0.40919(6) 0.0465(3) Uani d U . . 1.0 . .
Sb Sb4 0.13669(9) 0.62205(3) 0.47567(7) 0.0489(3) Uani d U . . 1.0 . .
Sb Sb6 -0.03022(9) 0.65156(3) 0.08919(7) 0.0530(4) Uani d U . . 1.0 . .
Sb Sb8 0.41080(8) 0.66246(3) 0.37188(8) 0.0557(4) Uani d U . . 1.0 . .
Au Au1 0.21037(7) 0.59533(3) 0.12663(6) 0.0342(2) Uani d U P D 0.934(3) A 1
Au Au4 0.16232(5) 0.61089(2) 0.36739(5) 0.0344(2) Uani d U P D 0.934(3) A 1
Au Au5 0.03089(5) 0.60722(2) 0.27224(5) 0.0373(2) Uani d U P D 0.934(3) A 1
Au Au6 0.08084(5) 0.63051(2) 0.16283(5) 0.0361(2) Uani d U P D 0.934(3) A 1
Au Au7 0.24792(6) 0.64717(2) 0.19222(5) 0.0373(2) Uani d U P D 0.934(3) A 1
Au Au11 0.07447(6) 0.56991(2) 0.17735(5) 0.0349(2) Uani d U P D 0.934(3) A 1
Au Au12 0.13685(5) 0.65601(2) 0.27868(5) 0.0373(2) Uani d U P D 0.934(3) A 1
Sb Sb5 -0.10945(9) 0.60567(5) 0.30236(9) 0.0557(5) Uani d U P D 0.934(3) A 1
Sb Sb7 0.30121(11) 0.69049(3) 0.14239(11) 0.0582(5) Uani d U P D 0.934(3) A 1
Au Au21 0.1971(12) 0.5964(4) 0.1367(10) 0.0342(2) Uani d U P D 0.066(3) A 2
Au Au24 0.1667(8) 0.6025(3) 0.3823(6) 0.0344(2) Uani d U P D 0.066(3) A 2
Au Au25 0.0301(6) 0.5973(3) 0.2918(6) 0.0373(2) Uani d U P D 0.066(3) A 2
Au Au26 0.0653(7) 0.6250(3) 0.1821(7) 0.0361(2) Uani d U P D 0.066(3) A 2
Au Au27 0.2283(9) 0.6468(3) 0.2074(7) 0.0373(2) Uani d U P D 0.066(3) A 2
Au Au31 0.0727(11) 0.5634(3) 0.1908(7) 0.0349(2) Uani d U P D 0.066(3) A 2
Au Au32 0.1245(8) 0.6492(3) 0.2988(7) 0.0373(2) Uani d U P D 0.066(3) A 2
Sb Sb25 -0.1062(10) 0.5913(6) 0.3278(12) 0.0557(5) Uani d U P D 0.066(3) A 2
Sb Sb27 0.2800(17) 0.6923(4) 0.1672(15) 0.0582(5) Uani d U P D 0.066(3) A 2
Cl Cl1 0.4783(3) 0.59010(15) 0.2103(3) 0.0649(16) Uani d U . . 1.0 . .
Cl Cl2 0.0570(4) 0.52086(13) 0.3552(3) 0.0677(17) Uani d U . . 1.0 . .
Cl Cl3 -0.0155(4) 0.54379(14) 0.1135(3) 0.0670(17) Uani d U . . 1.0 . .
Cl Cl4 0.1008(4) 0.70334(11) 0.2989(3) 0.0627(15) Uani d U . . 1.0 . .
C C1 0.2496(12) 0.6237(4) -0.0400(8) 0.070(5) Uani d U . G 1.0 . .
C C2 0.3251(10) 0.6343(5) -0.0483(9) 0.091(6) Uani d U . G 1.0 . .
H H2A 0.372 0.6257 -0.0277 0.109 Uiso calc U . R 1.0 . .
C C3 0.3321(11) 0.6574(5) -0.0867(11) 0.108(7) Uani d U . G 1.0 . .
H H3A 0.3837 0.6646 -0.0923 0.129 Uiso calc U . R 1.0 . .
C C4 0.2636(14) 0.6699(4) -0.1167(10) 0.109(8) Uani d U . G 1.0 . .
H H4A 0.2684 0.6857 -0.143 0.131 Uiso calc U . R 1.0 . .
C C5 0.1881(11) 0.6594(4) -0.1085(9) 0.094(7) Uani d U . G 1.0 . .
H H5A 0.1413 0.668 -0.129 0.113 Uiso calc U . R 1.0 . .
C C6 0.1811(9) 0.6363(4) -0.0701(9) 0.079(6) Uani d U . G 1.0 . .
H H6A 0.1295 0.6291 -0.0644 0.094 Uiso calc U . R 1.0 . .
C C7 0.1607(9) 0.5629(3) -0.0402(7) 0.058(4) Uani d U . G 1.0 . .
C C8 0.1620(10) 0.5643(3) -0.1025(7) 0.070(5) Uani d U . G 1.0 . .
H H8A 0.198 0.577 -0.1191 0.084 Uiso calc U . R 1.0 . .
C C9 0.1108(11) 0.5471(4) -0.1406(5) 0.077(6) Uani d U . G 1.0 . .
H H9A 0.1117 0.548 -0.1832 0.093 Uiso calc U . R 1.0 . .
C C10 0.0582(10) 0.5285(4) -0.1163(7) 0.072(5) Uani d U . G 1.0 . .
H H10A 0.0231 0.5168 -0.1423 0.087 Uiso calc U . R 1.0 . .
C C11 0.0568(9) 0.5271(3) -0.0540(8) 0.071(5) Uani d U . G 1.0 . .
H H11A 0.0208 0.5145 -0.0374 0.085 Uiso calc U . R 1.0 . .
C C12 0.1081(10) 0.5443(4) -0.0159(5) 0.064(5) Uani d U . G 1.0 . .
H H12A 0.1071 0.5434 0.0267 0.076 Uiso calc U . R 1.0 . .
C C13 0.3529(9) 0.5674(4) 0.0160(9) 0.072(5) Uani d U . G 1.0 . .
C C14 0.4053(11) 0.5660(4) 0.0692(7) 0.076(6) Uani d U . G 1.0 . .
H H14A 0.3917 0.5749 0.1049 0.091 Uiso calc U . R 1.0 . .
C C15 0.4777(11) 0.5513(5) 0.0699(8) 0.089(7) Uani d U . G 1.0 . .
H H15A 0.5135 0.5503 0.1062 0.107 Uiso calc U . R 1.0 . .
C C16 0.4976(11) 0.5382(5) 0.0176(11) 0.107(7) Uani d U . G 1.0 . .
H H16A 0.547 0.5282 0.0181 0.129 Uiso calc U . R 1.0 . .
C C17 0.4451(13) 0.5396(5) -0.0355(8) 0.105(7) Uani d U . G 1.0 . .
H H17A 0.4587 0.5306 -0.0713 0.126 Uiso calc U . R 1.0 . .
C C18 0.3727(12) 0.5543(5) -0.0363(7) 0.094(7) Uani d U . G 1.0 . .
H H18A 0.3369 0.5553 -0.0726 0.113 Uiso calc U . R 1.0 . .
C C19 0.2444(9) 0.4879(3) 0.0892(5) 0.045(4) Uani d U . G 1.0 . .
C C20 0.2952(8) 0.4957(3) 0.0468(7) 0.062(5) Uani d U . G 1.0 . .
H H20A 0.3429 0.5062 0.0592 0.074 Uiso calc U . R 1.0 . .
C C21 0.2764(10) 0.4883(4) -0.0137(6) 0.069(5) Uani d U . G 1.0 . .
H H21A 0.3111 0.4936 -0.0426 0.083 Uiso calc U . R 1.0 . .
C C22 0.2067(10) 0.4729(4) -0.0318(5) 0.072(5) Uani d U . G 1.0 . .
H H22A 0.1938 0.4678 -0.0731 0.087 Uiso calc U . R 1.0 . .
C C23 0.1558(8) 0.4651(4) 0.0106(7) 0.073(5) Uani d U . G 1.0 . .
H H23A 0.1082 0.4546 -0.0018 0.087 Uiso calc U . R 1.0 . .
C C24 0.1747(8) 0.4726(3) 0.0711(6) 0.064(5) Uani d U . G 1.0 . .
H H24A 0.1399 0.4672 0.1 0.077 Uiso calc U . R 1.0 . .
C C25 0.3927(6) 0.4894(3) 0.2018(6) 0.041(3) Uani d U . G 1.0 . .
C C26 0.4412(8) 0.5078(3) 0.2390(7) 0.059(5) Uani d U . G 1.0 . .
H H26A 0.4188 0.5245 0.2547 0.071 Uiso calc U . R 1.0 . .
C C27 0.5224(8) 0.5019(3) 0.2531(7) 0.070(5) Uani d U . G 1.0 . .
H H27A 0.5556 0.5145 0.2786 0.084 Uiso calc U . R 1.0 . .
C C28 0.5552(7) 0.4774(4) 0.2301(8) 0.070(5) Uani d U . G 1.0 . .
H H28A 0.6107 0.4733 0.2398 0.084 Uiso calc U . R 1.0 . .
C C29 0.5067(9) 0.4590(3) 0.1929(8) 0.072(5) Uani d U . G 1.0 . .
H H29A 0.5291 0.4423 0.1771 0.086 Uiso calc U . R 1.0 . .
C C30 0.4254(8) 0.4650(3) 0.1787(7) 0.063(5) Uani d U . G 1.0 . .
H H30A 0.3923 0.4524 0.1533 0.075 Uiso calc U . R 1.0 . .
C C31 0.1987(8) 0.4674(3) 0.2183(7) 0.047(4) Uani d U . G 1.0 . .
C C32 0.2189(7) 0.4386(3) 0.2180(7) 0.056(4) Uani d U . G 1.0 . .
H H32A 0.2676 0.4327 0.2035 0.067 Uiso calc U . R 1.0 . .
C C33 0.1680(9) 0.4183(2) 0.2388(8) 0.063(5) Uani d U . G 1.0 . .
H H33A 0.1818 0.3986 0.2386 0.075 Uiso calc U . R 1.0 . .
C C34 0.0968(9) 0.4269(3) 0.2600(7) 0.063(5) Uani d U . G 1.0 . .
H H34A 0.062 0.413 0.2742 0.076 Uiso calc U . R 1.0 . .
C C35 0.0766(7) 0.4557(3) 0.2603(7) 0.061(5) Uani d U . G 1.0 . .
H H35A 0.028 0.4616 0.2748 0.073 Uiso calc U . R 1.0 . .
C C36 0.1275(8) 0.4760(2) 0.2394(7) 0.053(4) Uani d U . G 1.0 . .
H H36A 0.1137 0.4957 0.2396 0.063 Uiso calc U . R 1.0 . .
C C37 0.3437(10) 0.4985(3) 0.3917(8) 0.064(4) Uani d U . G 1.0 . .
C C38 0.2631(9) 0.4907(3) 0.3872(8) 0.070(5) Uani d U . G 1.0 . .
H H38A 0.2233 0.5048 0.3913 0.084 Uiso calc U . R 1.0 . .
C C39 0.2409(9) 0.4624(4) 0.3765(9) 0.083(6) Uani d U . G 1.0 . .
H H39A 0.1858 0.4571 0.3733 0.099 Uiso calc U . R 1.0 . .
C C40 0.2992(12) 0.4418(3) 0.3704(9) 0.086(6) Uani d U . G 1.0 . .
H H40A 0.284 0.4224 0.363 0.103 Uiso calc U . R 1.0 . .
C C41 0.3798(11) 0.4495(3) 0.3749(9) 0.085(6) Uani d U . G 1.0 . .
H H41A 0.4197 0.4354 0.3708 0.102 Uiso calc U . R 1.0 . .
C C42 0.4021(8) 0.4779(4) 0.3856(9) 0.074(5) Uani d U . G 1.0 . .
H H42A 0.4571 0.4832 0.3888 0.089 Uiso calc U . R 1.0 . .
C C43 0.3545(12) 0.5464(4) 0.5018(7) 0.070(5) Uani d U . G 1.0 . .
C C44 0.2862(11) 0.5345(4) 0.5220(9) 0.088(6) Uani d U . G 1.0 . .
H H44A 0.2474 0.5252 0.4942 0.106 Uiso calc U . R 1.0 . .
C C45 0.2748(12) 0.5364(5) 0.5829(10) 0.105(7) Uani d U . G 1.0 . .
H H45A 0.2282 0.5283 0.5966 0.126 Uiso calc U . R 1.0 . .
C C46 0.3317(16) 0.5500(5) 0.6235(7) 0.115(8) Uani d U . G 1.0 . .
H H46A 0.3239 0.5512 0.6651 0.138 Uiso calc U . R 1.0 . .
C C47 0.3999(14) 0.5618(5) 0.6033(9) 0.113(8) Uani d U . G 1.0 . .
H H47A 0.4388 0.5711 0.6311 0.136 Uiso calc U . R 1.0 . .
C C48 0.4113(11) 0.5600(5) 0.5425(10) 0.098(7) Uani d U . G 1.0 . .
H H48A 0.458 0.5681 0.5287 0.117 Uiso calc U . R 1.0 . .
C C49 0.4925(7) 0.5464(3) 0.4083(7) 0.051(4) Uani d U . G 1.0 . .
C C50 0.5166(9) 0.5631(3) 0.3619(7) 0.061(5) Uani d U . G 1.0 . .
H H50A 0.4775 0.5717 0.3332 0.073 Uiso calc U . R 1.0 . .
C C51 0.5979(10) 0.5672(4) 0.3575(7) 0.080(6) Uani d U . G 1.0 . .
H H51A 0.6144 0.5786 0.3258 0.096 Uiso calc U . R 1.0 . .
C C52 0.6551(7) 0.5546(4) 0.3994(9) 0.084(6) Uani d U . G 1.0 . .
H H52A 0.7107 0.5573 0.3964 0.101 Uiso calc U . R 1.0 . .
C C53 0.6311(8) 0.5378(4) 0.4458(8) 0.073(6) Uani d U . G 1.0 . .
H H53A 0.6702 0.5292 0.4745 0.088 Uiso calc U . R 1.0 . .
C C54 0.5497(9) 0.5338(3) 0.4502(6) 0.066(5) Uani d U . G 1.0 . .
H H54A 0.5333 0.5224 0.4819 0.079 Uiso calc U . R 1.0 . .
C C55 0.0992(11) 0.5872(3) 0.5260(8) 0.067(5) Uani d U . G 1.0 . .
C C56 0.0806(12) 0.5619(4) 0.4948(7) 0.078(6) Uani d U . G 1.0 . .
H H56A 0.085 0.5608 0.4526 0.094 Uiso calc U . R 1.0 . .
C C57 0.0556(13) 0.5381(3) 0.5252(9) 0.096(7) Uani d U . G 1.0 . .
H H57A 0.0428 0.5208 0.5038 0.115 Uiso calc U . R 1.0 . .
C C58 0.0491(14) 0.5397(4) 0.5869(9) 0.102(7) Uani d U . G 1.0 . .
H H58A 0.032 0.5235 0.6077 0.123 Uiso calc U . R 1.0 . .
C C59 0.0677(13) 0.5651(5) 0.6181(7) 0.090(6) Uani d U . G 1.0 . .
H H59A 0.0633 0.5661 0.6603 0.108 Uiso calc U . R 1.0 . .
C C60 0.0927(12) 0.5888(4) 0.5877(8) 0.077(6) Uani d U . G 1.0 . .
H H60A 0.1054 0.6061 0.609 0.093 Uiso calc U . R 1.0 . .
C C61 0.0465(10) 0.6538(4) 0.4778(8) 0.064(5) Uani d U . G 1.0 . .
C C62 0.0226(12) 0.6693(4) 0.4255(7) 0.080(6) Uani d U . G 1.0 . .
H H62A 0.047 0.6658 0.3897 0.096 Uiso calc U . R 1.0 . .
C C63 -0.0372(12) 0.6899(4) 0.4255(8) 0.089(7) Uani d U . G 1.0 . .
H H63A -0.0536 0.7005 0.3897 0.106 Uiso calc U . R 1.0 . .
C C64 -0.0730(11) 0.6950(4) 0.4778(10) 0.097(7) Uani d U . G 1.0 . .
H H64A -0.1138 0.7091 0.4778 0.117 Uiso calc U . R 1.0 . .
C C65 -0.0490(12) 0.6796(4) 0.5302(8) 0.093(7) Uani d U . G 1.0 . .
H H65A -0.0735 0.6831 0.5659 0.111 Uiso calc U . R 1.0 . .
C C66 0.0107(12) 0.6589(4) 0.5302(7) 0.083(6) Uani d U . G 1.0 . .
H H66A 0.0271 0.6484 0.5659 0.1 Uiso calc U . R 1.0 . .
C C67 0.2295(11) 0.6411(4) 0.5358(8) 0.071(5) Uani d U . G 1.0 . .
C C68 0.2804(13) 0.6241(3) 0.5747(10) 0.086(6) Uani d U . G 1.0 . .
H H68A 0.2744 0.6039 0.574 0.103 Uiso calc U . R 1.0 . .
C C69 0.3402(12) 0.6368(5) 0.6145(9) 0.103(7) Uani d U . G 1.0 . .
H H69A 0.375 0.6252 0.6411 0.124 Uiso calc U . R 1.0 . .
C C70 0.3490(13) 0.6663(5) 0.6155(10) 0.111(8) Uani d U . G 1.0 . .
H H70A 0.3898 0.675 0.6428 0.134 Uiso calc U . R 1.0 . .
C C71 0.2980(15) 0.6833(3) 0.5766(11) 0.114(8) Uani d U . G 1.0 . .
H H71A 0.304 0.7035 0.5773 0.137 Uiso calc U . R 1.0 . .
C C72 0.2383(13) 0.6706(4) 0.5367(9) 0.096(7) Uani d U . G 1.0 . .
H H72A 0.2034 0.6822 0.5102 0.115 Uiso calc U . R 1.0 . .
C C73 -0.1629(10) 0.6455(3) 0.3000(9) 0.069(5) Uani d U . G 1.0 . .
C C74 -0.1270(9) 0.6677(4) 0.2715(9) 0.081(6) Uani d U . G 1.0 A .
H H74A -0.0797 0.6643 0.2528 0.098 Uiso calc U . R 1.0 . .
C C75 -0.1603(12) 0.6950(4) 0.2704(9) 0.088(6) Uani d U . G 1.0 A .
H H75A -0.1357 0.7102 0.2509 0.106 Uiso calc U . R 1.0 . .
C C76 -0.2295(12) 0.7000(3) 0.2977(10) 0.085(6) Uani d U . G 1.0 A .
H H76A -0.2523 0.7186 0.297 0.102 Uiso calc U . R 1.0 . .
C C77 -0.2654(10) 0.6777(4) 0.3262(9) 0.092(6) Uani d U . G 1.0 A .
H H77A -0.3127 0.6812 0.3449 0.11 Uiso calc U . R 1.0 . .
C C78 -0.2321(11) 0.6505(4) 0.3274(9) 0.075(6) Uani d U . G 1.0 A .
H H78A -0.2566 0.6353 0.3469 0.09 Uiso calc U . R 1.0 . .
C C79 -0.1226(12) 0.5908(4) 0.3899(8) 0.072(4) Uani d U . G 1.0 . .
C C80 -0.1236(12) 0.5616(4) 0.4021(9) 0.086(5) Uani d U . G 1.0 A .
H H80A -0.119 0.5482 0.3706 0.104 Uiso calc U . R 1.0 B 2
C C81 -0.1313(14) 0.5521(4) 0.4604(11) 0.106(7) Uani d U . G 1.0 A .
H H81A -0.1319 0.5322 0.4688 0.127 Uiso calc U . R 1.0 . .
C C82 -0.1379(15) 0.5717(6) 0.5065(8) 0.116(8) Uani d U . G 1.0 A .
H H82A -0.1432 0.5652 0.5463 0.14 Uiso calc U . R 1.0 . .
C C83 -0.1369(15) 0.6009(5) 0.4943(9) 0.114(7) Uani d U . G 1.0 A .
H H83A -0.1415 0.6143 0.5258 0.137 Uiso calc U . R 1.0 . .
C C84 -0.1292(14) 0.6104(4) 0.4360(10) 0.099(6) Uani d U . G 1.0 A .
H H84A -0.1285 0.6303 0.4277 0.119 Uiso calc U . R 1.0 C 2
C C85 -0.1864(9) 0.5751(3) 0.2532(8) 0.068(4) Uani d U . G 1.0 . .
C C86 -0.1512(8) 0.5506(4) 0.2327(9) 0.076(6) Uani d U . G 1.0 A .
H H86A -0.0946 0.5482 0.2391 0.091 Uiso calc U . R 1.0 . .
C C87 -0.1990(11) 0.5295(3) 0.2027(9) 0.084(6) Uani d U . G 1.0 A .
H H87A -0.175 0.5127 0.1887 0.101 Uiso calc U . R 1.0 . .
C C88 -0.2819(10) 0.5330(4) 0.1934(9) 0.083(6) Uani d U . G 1.0 A .
H H88A -0.3146 0.5185 0.1729 0.099 Uiso calc U . R 1.0 . .
C C89 -0.3171(8) 0.5575(4) 0.2139(9) 0.080(6) Uani d U . G 1.0 A .
H H89A -0.3737 0.5598 0.2075 0.096 Uiso calc U . R 1.0 . .
C C90 -0.2693(10) 0.5786(3) 0.2438(9) 0.074(5) Uani d U . G 1.0 A .
H H90A -0.2933 0.5953 0.2579 0.089 Uiso calc U . R 1.0 . .
C C91 -0.0485(10) 0.6957(3) 0.0957(8) 0.063(4) Uani d U . G 1.0 . .
C C92 -0.0076(10) 0.7094(4) 0.1456(7) 0.071(5) Uani d U . G 1.0 . .
H H92A 0.0315 0.6993 0.1717 0.086 Uiso calc U . R 1.0 . .
C C93 -0.0238(12) 0.7379(4) 0.1571(8) 0.085(6) Uani d U . G 1.0 . .
H H93A 0.0042 0.7472 0.1912 0.102 Uiso calc U . R 1.0 . .
C C94 -0.0810(13) 0.7527(3) 0.1189(9) 0.093(7) Uani d U . G 1.0 . .
H H94A -0.0921 0.7722 0.1268 0.112 Uiso calc U . R 1.0 . .
C C95 -0.1219(11) 0.7390(4) 0.0691(9) 0.089(7) Uani d U . G 1.0 . .
H H95A -0.161 0.7491 0.0429 0.107 Uiso calc U . R 1.0 . .
C C96 -0.1057(10) 0.7105(4) 0.0575(7) 0.075(6) Uani d U . G 1.0 . .
H H96A -0.1337 0.7011 0.0234 0.09 Uiso calc U . R 1.0 . .
C C97 -0.0265(11) 0.6405(4) -0.0023(6) 0.060(4) Uani d U . G 1.0 . .
C C98 -0.0243(11) 0.6115(3) -0.0160(7) 0.077(5) Uani d U . G 1.0 . .
H H98A -0.0203 0.5978 0.0157 0.092 Uiso calc U . R 1.0 . .
C C99 -0.0279(12) 0.6027(3) -0.0759(8) 0.075(6) Uani d U . G 1.0 . .
H H99A -0.0264 0.5828 -0.0852 0.09 Uiso calc U . R 1.0 . .
C C100 -0.0337(12) 0.6228(4) -0.1222(6) 0.080(6) Uani d U . G 1.0 . .
H H10B -0.0362 0.6167 -0.1632 0.096 Uiso calc U . R 1.0 . .
C C101 -0.0359(12) 0.6518(3) -0.1086(7) 0.078(6) Uani d U . G 1.0 . .
H H10C -0.0399 0.6655 -0.1403 0.094 Uiso calc U . R 1.0 . .
C C102 -0.0323(11) 0.6606(3) -0.0487(8) 0.075(5) Uani d U . G 1.0 . .
H H10D -0.0338 0.6804 -0.0394 0.09 Uiso calc U . R 1.0 . .
C C103 -0.1485(9) 0.6369(4) 0.1016(9) 0.067(4) Uani d U . G 1.0 . .
C C104 -0.2067(12) 0.6558(3) 0.1171(10) 0.092(6) Uani d U . G 1.0 . .
H H10E -0.1943 0.6755 0.1225 0.111 Uiso calc U . R 1.0 . .
C C105 -0.2832(11) 0.6459(5) 0.1246(11) 0.098(7) Uani d U . G 1.0 . .
H H10F -0.323 0.6588 0.1351 0.118 Uiso calc U . R 1.0 . .
C C106 -0.3014(10) 0.6170(5) 0.1165(11) 0.101(7) Uani d U . G 1.0 . .
H H10G -0.3536 0.6102 0.1217 0.122 Uiso calc U . R 1.0 . .
C C107 -0.2431(14) 0.5981(3) 0.1010(11) 0.103(7) Uani d U . G 1.0 . .
H H10H -0.2556 0.5784 0.0956 0.124 Uiso calc U . R 1.0 . .
C C108 -0.1667(12) 0.6080(4) 0.0935(10) 0.097(6) Uani d U . G 1.0 . .
H H10I -0.1269 0.5951 0.0829 0.117 Uiso calc U . R 1.0 . .
C C109 0.3415(12) 0.7252(3) 0.1968(9) 0.074(5) Uani d U . G 1.0 . .
C C110 0.3066(12) 0.7299(4) 0.2497(10) 0.089(6) Uani d U . G 1.0 A .
H H11B 0.2673 0.717 0.2613 0.107 Uiso calc U . R 1.0 D 2
C C111 0.3291(14) 0.7536(5) 0.2857(8) 0.111(7) Uani d U . G 1.0 A .
H H11C 0.3052 0.7568 0.3219 0.133 Uiso calc U . R 1.0 . .
C C112 0.3865(14) 0.7725(4) 0.2688(10) 0.103(7) Uani d U . G 1.0 A .
H H11D 0.4019 0.7886 0.2934 0.123 Uiso calc U . R 1.0 . .
C C113 0.4214(12) 0.7678(4) 0.2159(10) 0.094(7) Uani d U . G 1.0 A .
H H11E 0.4607 0.7807 0.2043 0.113 Uiso calc U . R 1.0 . .
C C114 0.3989(12) 0.7442(4) 0.1799(8) 0.077(6) Uani d U . G 1.0 A .
H H11F 0.4228 0.7409 0.1438 0.093 Uiso calc U . R 1.0 . .
C C115 0.2167(11) 0.7122(4) 0.0819(9) 0.075(5) Uani d U . G 1.0 . .
C C116 0.1926(12) 0.7397(4) 0.0952(8) 0.085(6) Uani d U . G 1.0 A .
H H11G 0.2167 0.7491 0.1306 0.102 Uiso calc U . R 1.0 . .
C C117 0.1334(12) 0.7534(3) 0.0567(9) 0.091(7) Uani d U . G 1.0 A .
H H11H 0.1169 0.7722 0.0659 0.109 Uiso calc U . R 1.0 . .
C C118 0.0982(11) 0.7396(4) 0.0050(9) 0.089(7) Uani d U . G 1.0 A .
H H11I 0.0577 0.749 -0.0213 0.107 Uiso calc U . R 1.0 . .
C C119 0.1223(12) 0.7121(4) -0.0084(8) 0.095(7) Uani d U . G 1.0 A .
H H11J 0.0982 0.7027 -0.0438 0.114 Uiso calc U . R 1.0 . .
C C120 0.1816(12) 0.6984(3) 0.0301(10) 0.091(6) Uani d U . G 1.0 A .
H H12B 0.198 0.6796 0.021 0.109 Uiso calc U . R 1.0 . .
C C121 0.3973(10) 0.6790(4) 0.0942(8) 0.069(5) Uani d U . G 1.0 . .
C C122 0.4315(12) 0.6976(3) 0.0557(9) 0.087(6) Uani d U . G 1.0 A .
H H12C 0.4119 0.7166 0.0504 0.105 Uiso calc U . R 1.0 . .
C C123 0.4945(12) 0.6885(4) 0.0249(9) 0.097(7) Uani d U . G 1.0 A .
H H12D 0.5179 0.7012 -0.0014 0.116 Uiso calc U . R 1.0 . .
C C124 0.5233(10) 0.6607(4) 0.0327(9) 0.090(7) Uani d U . G 1.0 A .
H H12E 0.5664 0.6544 0.0117 0.108 Uiso calc U . R 1.0 . .
C C125 0.4891(11) 0.6420(3) 0.0712(9) 0.077(6) Uani d U . G 1.0 A .
H H12F 0.5088 0.6231 0.0765 0.093 Uiso calc U . R 1.0 . .
C C126 0.4261(10) 0.6512(3) 0.1020(8) 0.070(5) Uani d U . G 1.0 A .
H H12G 0.4027 0.6385 0.1283 0.084 Uiso calc U . R 1.0 . .
C C127 0.3705(13) 0.6992(4) 0.4107(10) 0.087(6) Uani d U . G 1.0 . .
C C128 0.2887(12) 0.7051(4) 0.4049(10) 0.089(6) Uani d U . G 1.0 . .
H H12H 0.2515 0.6919 0.3849 0.107 Uiso calc U . R 1.0 . .
C C129 0.2612(11) 0.7304(5) 0.4283(11) 0.106(7) Uani d U . G 1.0 . .
H H12I 0.2052 0.7344 0.4243 0.127 Uiso calc U . R 1.0 . .
C C130 0.3155(16) 0.7497(4) 0.4575(12) 0.122(8) Uani d U . G 1.0 . .
H H13A 0.2967 0.767 0.4735 0.146 Uiso calc U . R 1.0 . .
C C131 0.3973(14) 0.7438(5) 0.4633(11) 0.118(8) Uani d U . G 1.0 . .
H H13B 0.4345 0.757 0.4832 0.142 Uiso calc U . R 1.0 . .
C C132 0.4248(10) 0.7186(5) 0.4399(11) 0.100(7) Uani d U . G 1.0 . .
H H13C 0.4808 0.7145 0.4438 0.121 Uiso calc U . R 1.0 . .
C C133 0.4888(11) 0.6790(5) 0.3115(8) 0.072(5) Uani d U . G 1.0 . .
C C134 0.5082(13) 0.6584(4) 0.2706(10) 0.090(6) Uani d U . G 1.0 . .
H H13D 0.4906 0.6393 0.2742 0.108 Uiso calc U . R 1.0 . .
C C135 0.5533(14) 0.6659(5) 0.2243(10) 0.112(8) Uani d U . G 1.0 . .
H H13E 0.5666 0.6518 0.1963 0.134 Uiso calc U . R 1.0 . .
C C136 0.5790(14) 0.6939(6) 0.2189(10) 0.116(8) Uani d U . G 1.0 . .
H H13F 0.6099 0.699 0.1873 0.139 Uiso calc U . R 1.0 . .
C C137 0.5596(14) 0.7145(4) 0.2599(11) 0.106(7) Uani d U . G 1.0 . .
H H13G 0.5772 0.7337 0.2562 0.128 Uiso calc U . R 1.0 . .
C C138 0.5145(13) 0.7071(4) 0.3062(10) 0.104(7) Uani d U . G 1.0 . .
H H13H 0.5012 0.7212 0.3342 0.125 Uiso calc U . R 1.0 . .
C C139 0.4911(13) 0.6446(5) 0.4395(10) 0.080(5) Uani d U . G 1.0 . .
C C140 0.5638(14) 0.6330(5) 0.4267(9) 0.109(7) Uani d U . G 1.0 . .
H H14B 0.5784 0.6339 0.3867 0.131 Uiso calc U . R 1.0 . .
C C141 0.6150(12) 0.6202(5) 0.4725(13) 0.122(8) Uani d U . G 1.0 . .
H H14C 0.6647 0.6123 0.4638 0.147 Uiso calc U . R 1.0 . .
C C142 0.5937(15) 0.6189(5) 0.5310(11) 0.120(8) Uani d U . G 1.0 . .
H H14D 0.6287 0.6101 0.5623 0.145 Uiso calc U . R 1.0 . .
C C143 0.5210(17) 0.6304(6) 0.5438(9) 0.126(8) Uani d U . G 1.0 . .
H H14E 0.5064 0.6295 0.5838 0.151 Uiso calc U . R 1.0 . .
C C144 0.4698(12) 0.6433(5) 0.4980(11) 0.112(7) Uani d U . G 1.0 . .
H H14F 0.4201 0.6512 0.5067 0.134 Uiso calc U . R 1.0 . .
C C145 0.3018(18) 0.3116(7) 0.1841(10) 0.119(7) Uani d U . G 1.0 . .
C C146 0.2630(16) 0.3299(5) 0.1409(14) 0.124(8) Uani d U . G 1.0 . .
H H14G 0.2384 0.3469 0.1531 0.148 Uiso calc U . R 1.0 . .
C C147 0.2603(17) 0.3232(6) 0.0797(12) 0.133(9) Uani d U . G 1.0 . .
H H14H 0.2338 0.3357 0.0501 0.159 Uiso calc U . R 1.0 . .
C C148 0.2964(19) 0.2983(7) 0.0619(10) 0.142(10) Uani d U . G 1.0 . .
H H14I 0.2945 0.2938 0.0201 0.171 Uiso calc U . R 1.0 . .
C C149 0.3352(18) 0.2801(5) 0.1051(15) 0.143(9) Uani d U . G 1.0 . .
H H14J 0.3598 0.2631 0.0929 0.172 Uiso calc U . R 1.0 . .
C C150 0.3379(17) 0.2867(6) 0.1663(13) 0.136(9) Uani d U . G 1.0 . .
H H15B 0.3644 0.2743 0.1959 0.163 Uiso calc U . R 1.0 . .
C C151 0.3893(14) 0.3483(5) 0.2550(12) 0.113(7) Uani d U . G 1.0 . .
C C152 0.4619(17) 0.3384(4) 0.2385(12) 0.120(8) Uani d U . G 1.0 . .
H H15C 0.4682 0.3187 0.2297 0.144 Uiso calc U . R 1.0 . .
C C153 0.5252(13) 0.3572(6) 0.2349(12) 0.122(8) Uani d U . G 1.0 . .
H H15D 0.5748 0.3504 0.2237 0.146 Uiso calc U . R 1.0 . .
C C154 0.5160(15) 0.3861(6) 0.2478(13) 0.124(8) Uani d U . G 1.0 . .
H H15E 0.5593 0.399 0.2454 0.148 Uiso calc U . R 1.0 . .
C C155 0.4434(18) 0.3960(4) 0.2643(12) 0.121(8) Uani d U . G 1.0 . .
H H15F 0.4371 0.4157 0.2731 0.145 Uiso calc U . R 1.0 . .
C C156 0.3801(13) 0.3771(6) 0.2679(12) 0.116(8) Uani d U . G 1.0 . .
H H15G 0.3304 0.3839 0.2792 0.14 Uiso calc U . R 1.0 . .
C C157 0.2329(13) 0.3355(5) 0.2840(11) 0.107(6) Uani d U . G 1.0 . .
C C158 0.2433(12) 0.3508(5) 0.3380(11) 0.107(7) Uani d U . G 1.0 . .
H H15H 0.2957 0.3537 0.3583 0.128 Uiso calc U . R 1.0 . .
C C159 0.1769(16) 0.3619(5) 0.3622(9) 0.116(8) Uani d U . G 1.0 . .
H H15I 0.1839 0.3723 0.399 0.14 Uiso calc U . R 1.0 . .
C C160 0.1002(13) 0.3576(5) 0.3325(12) 0.108(8) Uani d U . G 1.0 . .
H H16B 0.0548 0.3652 0.349 0.129 Uiso calc U . R 1.0 . .
C C161 0.0898(12) 0.3423(5) 0.2785(11) 0.113(8) Uani d U . G 1.0 . .
H H16C 0.0374 0.3394 0.2582 0.135 Uiso calc U . R 1.0 . .
C C162 0.1562(16) 0.3313(5) 0.2543(9) 0.106(7) Uani d U . G 1.0 . .
H H16D 0.1491 0.3208 0.2174 0.127 Uiso calc U . R 1.0 . .
C C163 0.3422(17) 0.2959(5) 0.3060(11) 0.112(7) Uani d U . G 1.0 . .
C C164 0.4090(15) 0.2967(5) 0.3493(13) 0.122(8) Uani d U . G 1.0 . .
H H16E 0.4447 0.3125 0.3509 0.146 Uiso calc U . R 1.0 . .
C C165 0.4236(15) 0.2743(6) 0.3902(11) 0.127(9) Uani d U . G 1.0 . .
H H16F 0.4693 0.2748 0.4198 0.152 Uiso calc U . R 1.0 . .
C C166 0.3713(18) 0.2511(5) 0.3879(12) 0.130(9) Uani d U . G 1.0 . .
H H16G 0.3813 0.2358 0.4159 0.156 Uiso calc U . R 1.0 . .
C C167 0.3045(16) 0.2503(5) 0.3446(13) 0.126(9) Uani d U . G 1.0 . .
H H16H 0.2688 0.2345 0.343 0.152 Uiso calc U . R 1.0 . .
C C168 0.2899(14) 0.2727(6) 0.3037(11) 0.120(8) Uani d U . G 1.0 . .
H H16I 0.2442 0.2722 0.2741 0.144 Uiso calc U . R 1.0 . .
B B1 0.314(3) 0.3225(11) 0.256(2) 0.112(5) Uani d U . . 1.0 . .
C C1S 0.3780(12) 0.3877(10) 0.094(2) 0.056(10) Uiso d U P D 0.416(10) E 1
H H1S1 0.3695 0.3685 0.0759 0.067 Uiso calc U P R 0.416(10) E 1
H H1S2 0.3907 0.3848 0.1384 0.067 Uiso calc U P R 0.416(10) E 1
Cl Cl1S 0.2935(10) 0.4041(4) 0.0838(9) 0.083(3) Uiso d U P D 0.416(10) E 1
Cl Cl2S 0.4569(10) 0.4007(4) 0.0701(9) 0.083(3) Uiso d U P D 0.416(10) E 1
C C2S 0.2213(17) 0.6108(9) 0.755(4) 0.056(10) Uiso d U P D 0.303(10) F 2
H H2S1 0.2434 0.6246 0.7868 0.067 Uiso calc U P R 0.303(10) F 2
H H2S2 0.2347 0.6183 0.7161 0.067 Uiso calc U P R 0.303(10) F 2
Cl Cl3S 0.2702(14) 0.5815(5) 0.7678(12) 0.083(3) Uiso d U P D 0.303(10) F 2
Cl Cl4S 0.1254(14) 0.6119(5) 0.7532(12) 0.083(3) Uiso d U P D 0.303(10) F 2
C C3S -0.052(3) 0.735(3) -0.180(3) 0.056(10) Uiso d U P D 0.141(9) G 3
H H3S1 -0.0803 0.7233 -0.2125 0.067 Uiso calc U P R 0.141(9) G 3
H H3S2 -0.0561 0.7553 -0.1945 0.067 Uiso calc U P R 0.141(9) G 3
Cl Cl5S -0.103(3) 0.7333(12) -0.123(2) 0.083(3) Uiso d U P D 0.141(9) G 3
Cl Cl6S 0.041(3) 0.7265(12) -0.173(2) 0.083(3) Uiso d U P D 0.141(9) G 3
C C4S -0.294(6) 0.8092(12) 0.013(4) 0.056(10) Uiso d U P D 0.140(9) H 4
H H4S1 -0.2673 0.8227 -0.0127 0.067 Uiso calc U P R 0.140(9) H 4
H H4S2 -0.3348 0.8202 0.0319 0.067 Uiso calc U P R 0.140(9) H 4
Cl Cl7S -0.227(3) 0.7989(12) 0.066(2) 0.083(3) Uiso d U P D 0.140(9) H 4
Cl Cl8S -0.340(3) 0.7859(11) -0.031(2) 0.083(3) Uiso d U P D 0.140(9) H 4


_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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au2 Sb2 . 2.5248(14) ?
Au2 Au13 . 2.7266(9) ?
Au2 Au31 . 2.736(18) ?
Au2 Au21 . 2.84(2) ?
Au2 Au11 . 2.8410(13) ?
Au2 Au9 . 2.8680(10) ?
Au2 Au3 . 2.8928(10) ?
Au2 Au10 . 2.9098(10) ?
Au2 Au1 . 2.9179(15) ?
Au3 Sb3 . 2.5220(15) ?
Au3 Au13 . 2.7365(10) ?
Au3 Au24 . 2.743(16) ?
Au3 Au10 . 2.8483(10) ?
Au3 Au8 . 2.8687(11) ?
Au3 Au4 . 2.8859(12) ?
Au3 Au9 . 2.9250(11) ?
Au8 Sb8 . 2.5230(15) ?
Au8 Au27 . 2.675(16) ?
Au8 Au13 . 2.7263(9) ?
Au8 Au4 . 2.8433(12) ?
Au8 Au9 . 2.8638(10) ?
Au8 Au7 . 2.8981(14) ?
Au8 Au12 . 2.9538(11) ?
Au8 Au32 . 2.999(13) ?
Au8 Au24 . 3.115(15) ?
Au9 Cl1 . 2.350(5) ?
Au9 Au13 . 2.7557(9) ?
Au9 Au1 . 2.9156(16) ?
Au9 Au7 . 2.9189(11) ?
Au9 Au21 . 2.94(2) ?
Au9 Au27 . 3.052(16) ?
Au10 Cl2 . 2.327(6) ?
Au10 Au25 . 2.430(15) ?
Au10 Au31 . 2.575(17) ?
Au10 Au13 . 2.7627(10) ?
Au10 Au24 . 2.822(14) ?
Au10 Au5 . 2.8512(13) ?
Au10 Au11 . 2.9057(14) ?
Au10 Au4 . 2.9575(12) ?
Au13 Au27 . 2.426(14) ?
Au13 Au21 . 2.516(19) ?
Au13 Au26 . 2.584(12) ?
Au13 Au5 . 2.7149(10) ?
Au13 Au7 . 2.7226(13) ?
Au13 Au32 . 2.735(12) ?
Au13 Au11 . 2.7351(12) ?
Au13 Au4 . 2.7589(13) ?
Sb1 C1 . 2.111(14) ?
Sb1 C7 . 2.119(12) ?
Sb1 C13 . 2.133(14) ?
Sb1 Au1 . 2.5399(19) ?
Sb1 Au21 . 2.838(17) ?
Sb2 C31 . 2.118(10) ?
Sb2 C19 . 2.123(11) ?
Sb2 C25 . 2.124(10) ?
Sb3 C49 . 2.093(12) ?
Sb3 C37 . 2.096(13) ?
Sb3 C43 . 2.110(15) ?
Sb4 C55 . 2.112(14) ?
Sb4 C61 . 2.123(13) ?
Sb4 C67 . 2.124(15) ?
Sb4 Au24 . 2.376(15) ?
Sb4 Au4 . 2.5476(17) ?
Sb6 C91 . 2.094(13) ?
Sb6 C97 . 2.108(13) ?
Sb6 C103 . 2.145(15) ?
Sb6 Au6 . 2.5315(16) ?
Sb6 Au26 . 2.757(13) ?
Sb8 C127 . 2.071(15) ?
Sb8 C139 . 2.074(17) ?
Sb8 C133 . 2.124(16) ?
Au1 Au7 . 2.8612(13) ?
Au1 Au11 . 2.9086(13) ?
Au1 Au6 . 2.9096(12) ?
Au4 Au5 . 2.8771(12) ?
Au4 Au12 . 2.8861(12) ?
Au5 Sb5 . 2.5188(17) ?
Au5 Au6 . 2.8758(13) ?
Au5 Au12 . 2.8841(12) ?
Au5 Au11 . 2.8954(12) ?
Au6 Au11 . 2.8555(12) ?
Au6 Au12 . 2.8945(12) ?
Au6 Au7 . 2.9064(12) ?
Au7 Sb7 . 2.5211(18) ?
Au7 Au12 . 2.8553(13) ?
Au11 Cl3 . 2.299(5) ?
Au12 Cl4 . 2.351(5) ?
Sb5 C73 . 2.063(13) ?
Sb5 C79 . 2.103(16) ?
Sb5 C85 . 2.138(12) ?
Sb7 C109 . 2.091(15) ?
Sb7 C115 . 2.099(14) ?
Sb7 C121 . 2.104(14) ?
Au21 Au27 . 2.846(15) ?
Au21 Au26 . 2.861(15) ?
Au21 Au31 . 2.959(16) ?
Au24 Au25 . 2.878(14) ?
Au24 Au32 . 2.901(14) ?
Au25 Sb25 . 2.521(14) ?
Au25 Au26 . 2.882(14) ?
Au25 Au32 . 2.890(13) ?
Au25 Au31 . 2.906(14) ?
Au26 Au31 . 2.891(14) ?
Au26 Au32 . 2.900(14) ?
Au26 Au27 . 2.908(14) ?
Au27 Sb27 . 2.500(16) ?
Au27 Au32 . 2.825(14) ?
Au31 Cl3 . 2.322(17) ?
Au32 Cl4 . 2.561(14) ?
Sb25 C79 . 1.44(3) ?
Sb25 C85 . 2.15(3) ?
Sb25 C80 . 2.20(4) ?
Sb25 C84 . 2.64(3) ?
Sb27 C109 . 1.93(3) ?
Sb27 C115 . 2.26(3) ?
Sb27 C110 . 2.54(4) ?
C1 C2 . 1.39 ?
C1 C6 . 1.39 ?
C2 C3 . 1.39 ?
C3 C4 . 1.39 ?
C4 C5 . 1.39 ?
C5 C6 . 1.39 ?
C7 C8 . 1.39 ?
C7 C12 . 1.39 ?
C8 C9 . 1.39 ?
C9 C10 . 1.39 ?
C10 C11 . 1.39 ?
C11 C12 . 1.39 ?
C13 C14 . 1.39 ?
C13 C18 . 1.39 ?
C14 C15 . 1.39 ?
C15 C16 . 1.39 ?
C16 C17 . 1.39 ?
C17 C18 . 1.39 ?
C19 C20 . 1.39 ?
C19 C24 . 1.39 ?
C20 C21 . 1.39 ?
C21 C22 . 1.39 ?
C22 C23 . 1.39 ?
C23 C24 . 1.39 ?
C25 C26 . 1.39 ?
C25 C30 . 1.39 ?
C26 C27 . 1.39 ?
C27 C28 . 1.39 ?
C28 C29 . 1.39 ?
C29 C30 . 1.39 ?
C31 C32 . 1.39 ?
C31 C36 . 1.39 ?
C32 C33 . 1.39 ?
C33 C34 . 1.39 ?
C34 C35 . 1.39 ?
C35 C36 . 1.39 ?
C37 C38 . 1.39 ?
C37 C42 . 1.39 ?
C38 C39 . 1.39 ?
C39 C40 . 1.39 ?
C40 C41 . 1.39 ?
C41 C42 . 1.39 ?
C43 C44 . 1.39 ?
C43 C48 . 1.39 ?
C44 C45 . 1.39 ?
C45 C46 . 1.39 ?
C46 C47 . 1.39 ?
C47 C48 . 1.39 ?
C49 C50 . 1.39 ?
C49 C54 . 1.39 ?
C50 C51 . 1.39 ?
C51 C52 . 1.39 ?
C52 C53 . 1.39 ?
C53 C54 . 1.39 ?
C55 C56 . 1.39 ?
C55 C60 . 1.39 ?
C56 C57 . 1.39 ?
C57 C58 . 1.39 ?
C58 C59 . 1.39 ?
C59 C60 . 1.39 ?
C61 C62 . 1.39 ?
C61 C66 . 1.39 ?
C62 C63 . 1.39 ?
C63 C64 . 1.39 ?
C64 C65 . 1.39 ?
C65 C66 . 1.39 ?
C67 C68 . 1.39 ?
C67 C72 . 1.39 ?
C68 C69 . 1.39 ?
C69 C70 . 1.39 ?
C70 C71 . 1.39 ?
C71 C72 . 1.39 ?
C73 C74 . 1.39 ?
C73 C78 . 1.39 ?
C74 C75 . 1.39 ?
C75 C76 . 1.39 ?
C76 C77 . 1.39 ?
C77 C78 . 1.39 ?
C79 C80 . 1.39 ?
C79 C84 . 1.39 ?
C80 C81 . 1.39 ?
C81 C82 . 1.39 ?
C82 C83 . 1.39 ?
C83 C84 . 1.39 ?
C85 C86 . 1.39 ?
C85 C90 . 1.39 ?
C86 C87 . 1.39 ?
C87 C88 . 1.39 ?
C88 C89 . 1.39 ?
C89 C90 . 1.39 ?
C91 C92 . 1.39 ?
C91 C96 . 1.39 ?
C92 C93 . 1.39 ?
C93 C94 . 1.39 ?
C94 C95 . 1.39 ?
C95 C96 . 1.39 ?
C97 C98 . 1.39 ?
C97 C102 . 1.39 ?
C98 C99 . 1.39 ?
C99 C100 . 1.39 ?
C100 C101 . 1.39 ?
C101 C102 . 1.39 ?
C103 C104 . 1.39 ?
C103 C108 . 1.39 ?
C104 C105 . 1.39 ?
C105 C106 . 1.39 ?
C106 C107 . 1.39 ?
C107 C108 . 1.39 ?
C109 C110 . 1.39 ?
C109 C114 . 1.39 ?
C110 C111 . 1.39 ?
C111 C112 . 1.39 ?
C112 C113 . 1.39 ?
C113 C114 . 1.39 ?
C115 C116 . 1.39 ?
C115 C120 . 1.39 ?
C116 C117 . 1.39 ?
C117 C118 . 1.39 ?
C118 C119 . 1.39 ?
C119 C120 . 1.39 ?
C121 C122 . 1.39 ?
C121 C126 . 1.39 ?
C122 C123 . 1.39 ?
C123 C124 . 1.39 ?
C124 C125 . 1.39 ?
C125 C126 . 1.39 ?
C127 C128 . 1.39 ?
C127 C132 . 1.39 ?
C128 C129 . 1.39 ?
C129 C130 . 1.39 ?
C130 C131 . 1.39 ?
C131 C132 . 1.39 ?
C133 C134 . 1.39 ?
C133 C138 . 1.39 ?
C134 C135 . 1.39 ?
C135 C136 . 1.39 ?
C136 C137 . 1.39 ?
C137 C138 . 1.39 ?
C139 C140 . 1.39 ?
C139 C144 . 1.39 ?
C140 C141 . 1.39 ?
C141 C142 . 1.39 ?
C142 C143 . 1.39 ?
C143 C144 . 1.39 ?
C145 C146 . 1.39 ?
C145 C150 . 1.39 ?
C145 B1 . 1.68(5) ?
C146 C147 . 1.39 ?
C147 C148 . 1.39 ?
C148 C149 . 1.39 ?
C149 C150 . 1.39 ?
C151 C152 . 1.39 ?
C151 C156 . 1.39 ?
C151 B1 . 1.75(5) ?
C152 C153 . 1.39 ?
C153 C154 . 1.39 ?
C154 C155 . 1.39 ?
C155 C156 . 1.39 ?
C157 C158 . 1.39 ?
C157 C162 . 1.39 ?
C157 B1 . 1.67(5) ?
C158 C159 . 1.39 ?
C159 C160 . 1.39 ?
C160 C161 . 1.39 ?
C161 C162 . 1.39 ?
C163 C164 . 1.39 ?
C163 C168 . 1.39 ?
C163 B1 . 1.69(5) ?
C164 C165 . 1.39 ?
C165 C166 . 1.39 ?
C166 C167 . 1.39 ?
C167 C168 . 1.39 ?
C1S Cl1S . 1.60(2) ?
C1S Cl2S . 1.60(2) ?
C2S Cl4S . 1.60(2) ?
C2S Cl3S . 1.60(2) ?
C3S Cl6S . 1.60(2) ?
C3S Cl5S . 1.60(2) ?
C4S Cl7S . 1.60(2) ?
C4S Cl8S . 1.60(2) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Sb2 Au2 Au13 . . 177.80(4) ?
Sb2 Au2 Au31 . . 116.0(3) ?
Au13 Au2 Au31 . . 61.8(3) ?
Sb2 Au2 Au21 . . 125.6(3) ?
Au13 Au2 Au21 . . 53.7(3) ?
Au31 Au2 Au21 . . 64.1(4) ?
Sb2 Au2 Au11 . . 119.00(4) ?
Au13 Au2 Au11 . . 58.80(3) ?
Sb2 Au2 Au9 . . 122.92(4) ?
Au13 Au2 Au9 . . 58.95(2) ?
Au31 Au2 Au9 . . 115.5(3) ?
Au21 Au2 Au9 . . 62.0(4) ?
Au11 Au2 Au9 . . 109.06(3) ?
Sb2 Au2 Au3 . . 123.44(4) ?
Au13 Au2 Au3 . . 58.19(2) ?
Au31 Au2 Au3 . . 105.5(3) ?
Au21 Au2 Au3 . . 106.1(4) ?
Au11 Au2 Au3 . . 107.86(3) ?
Au9 Au2 Au3 . . 61.02(2) ?
Sb2 Au2 Au10 . . 120.56(4) ?
Au13 Au2 Au10 . . 58.59(2) ?
Au31 Au2 Au10 . . 54.2(3) ?
Au21 Au2 Au10 . . 102.8(3) ?
Au11 Au2 Au10 . . 60.69(3) ?
Au9 Au2 Au10 . . 108.56(3) ?
Au3 Au2 Au10 . . 58.80(2) ?
Sb2 Au2 Au1 . . 120.25(5) ?
Au13 Au2 Au1 . . 59.22(3) ?
Au11 Au2 Au1 . . 60.65(3) ?
Au9 Au2 Au1 . . 60.51(3) ?
Au3 Au2 Au1 . . 109.15(3) ?
Au10 Au2 Au1 . . 109.36(3) ?
Sb3 Au3 Au13 . . 175.80(5) ?
Sb3 Au3 Au24 . . 113.3(3) ?
Au13 Au3 Au24 . . 67.3(3) ?
Sb3 Au3 Au10 . . 117.14(5) ?
Au13 Au3 Au10 . . 59.26(2) ?
Au24 Au3 Au10 . . 60.6(3) ?
Sb3 Au3 Au8 . . 126.04(5) ?
Au13 Au3 Au8 . . 58.15(2) ?
Au24 Au3 Au8 . . 67.4(3) ?
Au10 Au3 Au8 . . 109.11(3) ?
Sb3 Au3 Au4 . . 122.33(5) ?
Au13 Au3 Au4 . . 58.70(3) ?
Au10 Au3 Au4 . . 62.09(3) ?
Au8 Au3 Au4 . . 59.22(3) ?
Sb3 Au3 Au2 . . 118.95(4) ?
Au13 Au3 Au2 . . 57.86(2) ?
Au24 Au3 Au2 . . 113.8(3) ?
Au10 Au3 Au2 . . 60.90(2) ?
Au8 Au3 Au2 . . 106.74(3) ?
Au4 Au3 Au2 . . 109.24(3) ?
Sb3 Au3 Au9 . . 123.38(4) ?
Au13 Au3 Au9 . . 58.14(2) ?
Au24 Au3 Au9 . . 117.4(3) ?
Au10 Au3 Au9 . . 108.68(3) ?
Au8 Au3 Au9 . . 59.24(3) ?
Au4 Au3 Au9 . . 107.34(4) ?
Au2 Au3 Au9 . . 59.07(2) ?
Sb8 Au8 Au27 . . 122.0(3) ?
Sb8 Au8 Au13 . . 173.77(6) ?
Au27 Au8 Au13 . . 53.4(3) ?
Sb8 Au8 Au4 . . 126.87(5) ?
Au13 Au8 Au4 . . 59.34(3) ?
Sb8 Au8 Au9 . . 116.07(5) ?
Au27 Au8 Au9 . . 66.8(3) ?
Au13 Au8 Au9 . . 59.01(2) ?
Au4 Au8 Au9 . . 110.23(3) ?
Sb8 Au8 Au3 . . 123.67(5) ?
Au27 Au8 Au3 . . 108.3(3) ?
Au13 Au8 Au3 . . 58.50(2) ?
Au4 Au8 Au3 . . 60.69(3) ?
Au9 Au8 Au3 . . 61.36(3) ?
Sb8 Au8 Au7 . . 116.97(6) ?
Au13 Au8 Au7 . . 57.81(3) ?
Au4 Au8 Au7 . . 107.32(3) ?
Au9 Au8 Au7 . . 60.87(3) ?
Au3 Au8 Au7 . . 108.76(3) ?
Sb8 Au8 Au12 . . 123.21(5) ?
Au13 Au8 Au12 . . 58.13(2) ?
Au4 Au8 Au12 . . 59.68(3) ?
Au9 Au8 Au12 . . 108.14(3) ?
Au3 Au8 Au12 . . 107.82(3) ?
Au7 Au8 Au12 . . 58.40(3) ?
Sb8 Au8 Au32 . . 125.9(2) ?
Au27 Au8 Au32 . . 59.4(3) ?
Au13 Au8 Au32 . . 56.8(2) ?
Au9 Au8 Au32 . . 112.2(2) ?
Au3 Au8 Au32 . . 99.8(3) ?
Sb8 Au8 Au24 . . 124.0(2) ?
Au27 Au8 Au24 . . 105.8(3) ?
Au13 Au8 Au24 . . 62.2(2) ?
Au9 Au8 Au24 . . 108.1(3) ?
Au3 Au8 Au24 . . 54.4(3) ?
Au32 Au8 Au24 . . 56.6(3) ?
Cl1 Au9 Au13 . . 176.65(17) ?
Cl1 Au9 Au8 . . 119.85(18) ?
Au13 Au9 Au8 . . 58.01(2) ?
Cl1 Au9 Au2 . . 122.16(18) ?
Au13 Au9 Au2 . . 57.96(2) ?
Au8 Au9 Au2 . . 107.54(3) ?
Cl1 Au9 Au1 . . 124.30(17) ?
Au13 Au9 Au1 . . 58.94(3) ?
Au8 Au9 Au1 . . 108.02(3) ?
Au2 Au9 Au1 . . 60.59(3) ?
Cl1 Au9 Au7 . . 124.56(17) ?
Au13 Au9 Au7 . . 57.26(3) ?
Au8 Au9 Au7 . . 60.14(3) ?
Au2 Au9 Au7 . . 106.47(3) ?
Au1 Au9 Au7 . . 58.73(3) ?
Cl1 Au9 Au3 . . 119.35(16) ?
Au13 Au9 Au3 . . 57.50(2) ?
Au8 Au9 Au3 . . 59.40(3) ?
Au2 Au9 Au3 . . 59.91(2) ?
Au1 Au9 Au3 . . 108.33(3) ?
Au7 Au9 Au3 . . 106.67(4) ?
Cl1 Au9 Au21 . . 130.9(3) ?
Au13 Au9 Au21 . . 52.3(3) ?
Au8 Au9 Au21 . . 102.3(3) ?
Au2 Au9 Au21 . . 58.5(4) ?
Au3 Au9 Au21 . . 102.7(3) ?
Cl1 Au9 Au27 . . 132.5(3) ?
Au13 Au9 Au27 . . 49.1(3) ?
Au8 Au9 Au27 . . 53.7(3) ?
Au2 Au9 Au27 . . 101.4(2) ?
Au3 Au9 Au27 . . 97.5(3) ?
Au21 Au9 Au27 . . 56.7(4) ?
Cl2 Au10 Au25 . . 108.1(4) ?
Cl2 Au10 Au31 . . 117.6(4) ?
Au25 Au10 Au31 . . 70.9(4) ?
Cl2 Au10 Au13 . . 175.01(16) ?
Au25 Au10 Au13 . . 67.3(3) ?
Au31 Au10 Au13 . . 63.3(3) ?
Cl2 Au10 Au24 . . 110.9(4) ?
Au25 Au10 Au24 . . 66.0(4) ?
Au31 Au10 Au24 . . 122.5(5) ?
Au13 Au10 Au24 . . 65.9(3) ?
Cl2 Au10 Au3 . . 123.73(19) ?
Au25 Au10 Au3 . . 112.7(3) ?
Au31 Au10 Au3 . . 111.4(4) ?
Au13 Au10 Au3 . . 58.36(2) ?
Au24 Au10 Au3 . . 57.9(3) ?
Cl2 Au10 Au5 . . 117.72(17) ?
Au13 Au10 Au5 . . 57.82(3) ?
Au3 Au10 Au5 . . 107.43(3) ?
Cl2 Au10 Au11 . . 123.13(19) ?
Au13 Au10 Au11 . . 57.63(3) ?
Au3 Au10 Au11 . . 107.30(4) ?
Au5 Au10 Au11 . . 60.38(3) ?
Cl2 Au10 Au2 . . 127.54(16) ?
Au25 Au10 Au2 . . 117.1(4) ?
Au31 Au10 Au2 . . 59.5(4) ?
Au13 Au10 Au2 . . 57.39(2) ?
Au24 Au10 Au2 . . 110.9(3) ?
Au3 Au10 Au2 . . 60.30(2) ?
Au5 Au10 Au2 . . 106.74(4) ?
Au11 Au10 Au2 . . 58.49(3) ?
Cl2 Au10 Au4 . . 118.81(17) ?
Au13 Au10 Au4 . . 57.55(3) ?
Au3 Au10 Au4 . . 59.58(3) ?
Au5 Au10 Au4 . . 59.35(3) ?
Au11 Au10 Au4 . . 107.13(4) ?
Au2 Au10 Au4 . . 106.84(3) ?
Au27 Au13 Au21 . . 70.3(5) ?
Au27 Au13 Au26 . . 70.9(4) ?
Au21 Au13 Au26 . . 68.2(5) ?
Au5 Au13 Au7 . . 116.44(4) ?
Au27 Au13 Au8 . . 62.2(4) ?
Au21 Au13 Au8 . . 119.0(4) ?
Au26 Au13 Au8 . . 123.1(3) ?
Au5 Au13 Au8 . . 117.10(3) ?
Au7 Au13 Au8 . . 64.26(3) ?
Au27 Au13 Au2 . . 125.5(4) ?
Au21 Au13 Au2 . . 65.4(5) ?
Au26 Au13 Au2 . . 116.9(3) ?
Au5 Au13 Au2 . . 116.35(3) ?
Au7 Au13 Au2 . . 116.59(4) ?
Au8 Au13 Au2 . . 115.97(3) ?
Au27 Au13 Au32 . . 66.1(4) ?
Au21 Au13 Au32 . . 124.3(6) ?
Au26 Au13 Au32 . . 66.0(3) ?
Au8 Au13 Au32 . . 66.6(3) ?
Au2 Au13 Au32 . . 168.4(3) ?
Au5 Au13 Au11 . . 64.18(3) ?
Au7 Au13 Au11 . . 115.84(4) ?
Au8 Au13 Au11 . . 178.61(4) ?
Au2 Au13 Au11 . . 62.69(3) ?
Au27 Au13 Au3 . . 120.9(4) ?
Au21 Au13 Au3 . . 121.3(5) ?
Au26 Au13 Au3 . . 166.0(4) ?
Au5 Au13 Au3 . . 114.87(4) ?
Au7 Au13 Au3 . . 118.34(3) ?
Au8 Au13 Au3 . . 63.35(3) ?
Au2 Au13 Au3 . . 63.95(3) ?
Au32 Au13 Au3 . . 110.3(3) ?
Au11 Au13 Au3 . . 115.78(4) ?
Au27 Au13 Au9 . . 71.8(4) ?
Au21 Au13 Au9 . . 67.5(5) ?
Au26 Au13 Au9 . . 129.3(4) ?
Au5 Au13 Au9 . . 179.15(5) ?
Au7 Au13 Au9 . . 64.39(3) ?
Au8 Au13 Au9 . . 62.99(3) ?
Au2 Au13 Au9 . . 63.09(2) ?
Au32 Au13 Au9 . . 124.9(3) ?
Au11 Au13 Au9 . . 115.73(4) ?
Au3 Au13 Au9 . . 64.36(3) ?
Au5 Au13 Au4 . . 63.41(3) ?
Au7 Au13 Au4 . . 115.06(3) ?
Au8 Au13 Au4 . . 62.44(3) ?
Au2 Au13 Au4 . . 118.39(4) ?
Au11 Au13 Au4 . . 118.32(4) ?
Au3 Au13 Au4 . . 63.36(3) ?
Au9 Au13 Au4 . . 116.19(3) ?
C1 Sb1 C7 . . 98.7(7) ?
C1 Sb1 C13 . . 102.7(8) ?
C7 Sb1 C13 . . 102.8(7) ?
C1 Sb1 Au1 . . 121.3(6) ?
C7 Sb1 Au1 . . 118.3(4) ?
C13 Sb1 Au1 . . 110.5(5) ?
C1 Sb1 Au21 . . 120.7(7) ?
C7 Sb1 Au21 . . 115.6(6) ?
C13 Sb1 Au21 . . 113.7(7) ?
C31 Sb2 C19 . . 98.0(6) ?
C31 Sb2 C25 . . 109.7(6) ?
C19 Sb2 C25 . . 102.7(6) ?
C31 Sb2 Au2 . . 111.7(4) ?
C19 Sb2 Au2 . . 119.0(4) ?
C25 Sb2 Au2 . . 114.2(4) ?
C49 Sb3 C37 . . 105.8(7) ?
C49 Sb3 C43 . . 102.8(7) ?
C37 Sb3 C43 . . 103.6(8) ?
C49 Sb3 Au3 . . 114.7(4) ?
C37 Sb3 Au3 . . 109.8(5) ?
C43 Sb3 Au3 . . 118.8(5) ?
C55 Sb4 C61 . . 105.8(7) ?
C55 Sb4 C67 . . 103.3(8) ?
C61 Sb4 C67 . . 99.5(8) ?
C55 Sb4 Au24 . . 105.8(6) ?
C61 Sb4 Au24 . . 120.8(6) ?
C67 Sb4 Au24 . . 119.8(6) ?
C55 Sb4 Au4 . . 115.8(5) ?
C61 Sb4 Au4 . . 111.2(5) ?
C67 Sb4 Au4 . . 119.3(6) ?
C91 Sb6 C97 . . 109.3(7) ?
C91 Sb6 C103 . . 99.3(7) ?
C97 Sb6 C103 . . 100.1(7) ?
C91 Sb6 Au6 . . 116.2(5) ?
C97 Sb6 Au6 . . 115.3(5) ?
C103 Sb6 Au6 . . 114.4(5) ?
C91 Sb6 Au26 . . 118.0(5) ?
C97 Sb6 Au26 . . 122.2(5) ?
C103 Sb6 Au26 . . 103.0(6) ?
C127 Sb8 C139 . . 104.4(9) ?
C127 Sb8 C133 . . 102.3(9) ?
C139 Sb8 C133 . . 102.1(9) ?
C127 Sb8 Au8 . . 113.1(6) ?
C139 Sb8 Au8 . . 120.7(6) ?
C133 Sb8 Au8 . . 112.1(6) ?
Sb1 Au1 Au13 . . 177.11(7) ?
Sb1 Au1 Au7 . . 122.34(6) ?
Au13 Au1 Au7 . . 57.55(3) ?
Sb1 Au1 Au11 . . 124.44(6) ?
Au13 Au1 Au11 . . 57.28(3) ?
Au7 Au1 Au11 . . 106.54(4) ?
Sb1 Au1 Au6 . . 124.68(7) ?
Au13 Au1 Au6 . . 58.06(3) ?
Au7 Au1 Au6 . . 60.48(3) ?
Au11 Au1 Au6 . . 58.78(3) ?
Sb1 Au1 Au9 . . 119.54(5) ?
Au13 Au1 Au9 . . 57.67(3) ?
Au7 Au1 Au9 . . 60.69(3) ?
Au11 Au1 Au9 . . 105.94(5) ?
Au6 Au1 Au9 . . 108.38(4) ?
Sb1 Au1 Au2 . . 121.39(6) ?
Au13 Au1 Au2 . . 56.98(3) ?
Au7 Au1 Au2 . . 106.67(5) ?
Au11 Au1 Au2 . . 58.37(3) ?
Au6 Au1 Au2 . . 105.80(4) ?
Au9 Au1 Au2 . . 58.90(3) ?
Sb4 Au4 Au13 . . 176.47(6) ?
Sb4 Au4 Au8 . . 121.57(5) ?
Au13 Au4 Au8 . . 58.22(3) ?
Sb4 Au4 Au5 . . 120.59(5) ?
Au13 Au4 Au5 . . 57.55(3) ?
Au8 Au4 Au5 . . 108.47(4) ?
Sb4 Au4 Au3 . . 125.36(6) ?
Au13 Au4 Au3 . . 57.94(3) ?
Au8 Au4 Au3 . . 60.09(3) ?
Au5 Au4 Au3 . . 105.73(4) ?
Sb4 Au4 Au12 . . 117.91(6) ?
Au13 Au4 Au12 . . 58.64(3) ?
Au8 Au4 Au12 . . 62.06(3) ?
Au5 Au4 Au12 . . 60.06(3) ?
Au3 Au4 Au12 . . 109.21(4) ?
Sb4 Au4 Au10 . . 124.54(6) ?
Au13 Au4 Au10 . . 57.68(3) ?
Au8 Au4 Au10 . . 106.80(4) ?
Au5 Au4 Au10 . . 58.49(3) ?
Au3 Au4 Au10 . . 58.33(3) ?
Au12 Au4 Au10 . . 107.31(4) ?
Sb5 Au5 Au13 . . 172.08(7) ?
Sb5 Au5 Au10 . . 112.67(6) ?
Au13 Au5 Au10 . . 59.46(3) ?
Sb5 Au5 Au6 . . 127.40(6) ?
Au13 Au5 Au6 . . 59.30(3) ?
Au10 Au5 Au6 . . 109.44(3) ?
Sb5 Au5 Au4 . . 117.70(6) ?
Au13 Au5 Au4 . . 59.04(3) ?
Au10 Au5 Au4 . . 62.17(3) ?
Au6 Au5 Au4 . . 109.06(3) ?
Sb5 Au5 Au12 . . 126.71(6) ?
Au13 Au5 Au12 . . 59.13(3) ?
Au10 Au5 Au12 . . 110.31(3) ?
Au6 Au5 Au12 . . 60.33(3) ?
Au4 Au5 Au12 . . 60.13(3) ?
Sb5 Au5 Au11 . . 119.86(5) ?
Au13 Au5 Au11 . . 58.25(3) ?
Au10 Au5 Au11 . . 60.74(3) ?
Au6 Au5 Au11 . . 59.31(3) ?
Au4 Au5 Au11 . . 109.61(4) ?
Au12 Au5 Au11 . . 107.90(4) ?
Sb6 Au6 Au13 . . 171.58(7) ?
Sb6 Au6 Au11 . . 115.14(5) ?
Au13 Au6 Au11 . . 58.17(3) ?
Sb6 Au6 Au5 . . 115.49(6) ?
Au13 Au6 Au5 . . 57.45(3) ?
Au11 Au6 Au5 . . 60.69(3) ?
Sb6 Au6 Au12 . . 123.63(5) ?
Au13 Au6 Au12 . . 58.43(3) ?
Au11 Au6 Au12 . . 108.71(4) ?
Au5 Au6 Au12 . . 59.97(3) ?
Sb6 Au6 Au7 . . 131.15(6) ?
Au13 Au6 Au7 . . 57.27(3) ?
Au11 Au6 Au7 . . 106.75(4) ?
Au5 Au6 Au7 . . 106.14(4) ?
Au12 Au6 Au7 . . 58.97(3) ?
Sb6 Au6 Au1 . . 123.85(6) ?
Au13 Au6 Au1 . . 58.88(3) ?
Au11 Au6 Au1 . . 60.59(3) ?
Au5 Au6 Au1 . . 108.60(4) ?
Au12 Au6 Au1 . . 107.66(4) ?
Au7 Au6 Au1 . . 58.94(3) ?
Sb7 Au7 Au13 . . 177.43(6) ?
Sb7 Au7 Au12 . . 118.08(6) ?
Au13 Au7 Au12 . . 59.41(3) ?
Sb7 Au7 Au1 . . 121.68(7) ?
Au13 Au7 Au1 . . 59.98(3) ?
Au12 Au7 Au1 . . 110.10(3) ?
Sb7 Au7 Au8 . . 121.87(6) ?
Au13 Au7 Au8 . . 57.93(3) ?
Au12 Au7 Au8 . . 61.78(3) ?
Au1 Au7 Au8 . . 108.57(4) ?
Sb7 Au7 Au6 . . 119.82(6) ?
Au13 Au7 Au6 . . 58.83(3) ?
Au12 Au7 Au6 . . 60.31(3) ?
Au1 Au7 Au6 . . 60.59(3) ?
Au8 Au7 Au6 . . 108.83(4) ?
Sb7 Au7 Au9 . . 124.01(5) ?
Au13 Au7 Au9 . . 58.35(3) ?
Au12 Au7 Au9 . . 109.34(4) ?
Au1 Au7 Au9 . . 60.57(4) ?
Au8 Au7 Au9 . . 58.99(3) ?
Au6 Au7 Au9 . . 108.37(3) ?
Cl3 Au11 Au13 . . 176.9(2) ?
Cl3 Au11 Au2 . . 121.02(17) ?
Au13 Au11 Au2 . . 58.51(3) ?
Cl3 Au11 Au6 . . 119.19(18) ?
Au13 Au11 Au6 . . 59.34(3) ?
Au2 Au11 Au6 . . 109.36(4) ?
Cl3 Au11 Au5 . . 124.56(18) ?
Au13 Au11 Au5 . . 57.57(3) ?
Au2 Au11 Au5 . . 107.41(4) ?
Au6 Au11 Au5 . . 60.00(3) ?
Cl3 Au11 Au10 . . 124.23(19) ?
Au13 Au11 Au10 . . 58.56(3) ?
Au2 Au11 Au10 . . 60.83(3) ?
Au6 Au11 Au10 . . 108.48(4) ?
Au5 Au11 Au10 . . 58.88(3) ?
Cl3 Au11 Au1 . . 117.70(19) ?
Au13 Au11 Au1 . . 59.25(4) ?
Au2 Au11 Au1 . . 60.98(4) ?
Au6 Au11 Au1 . . 60.62(3) ?
Au5 Au11 Au1 . . 108.09(4) ?
Au10 Au11 Au1 . . 109.73(5) ?
Cl4 Au12 Au13 . . 175.70(18) ?
Cl4 Au12 Au7 . . 117.83(17) ?
Au13 Au12 Au7 . . 57.90(3) ?
Cl4 Au12 Au5 . . 125.73(16) ?
Au13 Au12 Au5 . . 57.39(3) ?
Au7 Au12 Au5 . . 107.29(4) ?
Cl4 Au12 Au4 . . 125.33(18) ?
Au13 Au12 Au4 . . 58.38(3) ?
Au7 Au12 Au4 . . 107.32(4) ?
Au5 Au12 Au4 . . 59.82(3) ?
Cl4 Au12 Au6 . . 119.62(17) ?
Au13 Au12 Au6 . . 58.52(3) ?
Au7 Au12 Au6 . . 60.72(3) ?
Au5 Au12 Au6 . . 59.69(3) ?
Au4 Au12 Au6 . . 108.30(3) ?
Cl4 Au12 Au8 . . 122.34(16) ?
Au13 Au12 Au8 . . 56.81(2) ?
Au7 Au12 Au8 . . 59.82(3) ?
Au5 Au12 Au8 . . 105.33(3) ?
Au4 Au12 Au8 . . 58.26(3) ?
Au6 Au12 Au8 . . 107.64(3) ?
C73 Sb5 C79 . . 103.4(8) ?
C73 Sb5 C85 . . 110.8(7) ?
C79 Sb5 C85 . . 97.5(8) ?
C73 Sb5 Au5 . . 112.5(5) ?
C79 Sb5 Au5 . . 117.1(5) ?
C85 Sb5 Au5 . . 114.2(5) ?
C109 Sb7 C115 . . 98.3(8) ?
C109 Sb7 C121 . . 106.1(8) ?
C115 Sb7 C121 . . 107.2(8) ?
C109 Sb7 Au7 . . 118.5(5) ?
C115 Sb7 Au7 . . 115.0(6) ?
C121 Sb7 Au7 . . 110.5(5) ?
Au13 Au21 Au2 . . 60.9(5) ?
Au13 Au21 Sb1 . . 169.6(9) ?
Au2 Au21 Sb1 . . 114.1(6) ?
Au13 Au21 Au27 . . 53.4(4) ?
Au2 Au21 Au27 . . 107.5(8) ?
Sb1 Au21 Au27 . . 124.8(7) ?
Au13 Au21 Au26 . . 57.0(3) ?
Au2 Au21 Au26 . . 105.2(6) ?
Sb1 Au21 Au26 . . 132.7(9) ?
Au27 Au21 Au26 . . 61.3(4) ?
Au13 Au21 Au9 . . 60.1(5) ?
Au2 Au21 Au9 . . 59.5(5) ?
Sb1 Au21 Au9 . . 109.5(6) ?
Au27 Au21 Au9 . . 63.7(5) ?
Au26 Au21 Au9 . . 112.6(6) ?
Au13 Au21 Au31 . . 61.0(5) ?
Au2 Au21 Au31 . . 56.3(5) ?
Sb1 Au21 Au31 . . 125.2(7) ?
Au27 Au21 Au31 . . 107.5(5) ?
Au26 Au21 Au31 . . 59.5(4) ?
Au9 Au21 Au31 . . 107.1(8) ?
Sb4 Au24 Au3 . . 141.2(6) ?
Sb4 Au24 Au10 . . 139.4(6) ?
Au3 Au24 Au10 . . 61.6(3) ?
Sb4 Au24 Au25 . . 114.3(6) ?
Au3 Au24 Au25 . . 103.0(5) ?
Au10 Au24 Au25 . . 50.5(4) ?
Sb4 Au24 Au32 . . 102.0(6) ?
Au3 Au24 Au32 . . 105.4(5) ?
Au10 Au24 Au32 . . 98.8(4) ?
Au25 Au24 Au32 . . 60.0(4) ?
Sb4 Au24 Au13 . . 156.8(7) ?
Au3 Au24 Au13 . . 56.2(3) ?
Au10 Au24 Au13 . . 56.1(3) ?
Au25 Au24 Au13 . . 58.4(3) ?
Au32 Au24 Au13 . . 54.8(3) ?
Sb4 Au24 Au8 . . 117.4(5) ?
Au3 Au24 Au8 . . 58.2(3) ?
Au10 Au24 Au8 . . 103.2(5) ?
Au25 Au24 Au8 . . 105.4(4) ?
Au32 Au24 Au8 . . 59.7(3) ?
Au13 Au24 Au8 . . 52.6(3) ?
Au10 Au25 Sb25 . . 116.4(8) ?
Au10 Au25 Au24 . . 63.6(4) ?
Sb25 Au25 Au24 . . 117.7(7) ?
Au10 Au25 Au26 . . 105.4(4) ?
Sb25 Au25 Au26 . . 126.9(8) ?
Au24 Au25 Au26 . . 109.3(5) ?
Au10 Au25 Au13 . . 61.9(3) ?
Sb25 Au25 Au13 . . 177.5(8) ?
Au24 Au25 Au13 . . 63.6(4) ?
Au26 Au25 Au13 . . 53.2(3) ?
Au10 Au25 Au32 . . 109.2(4) ?
Sb25 Au25 Au32 . . 126.0(8) ?
Au24 Au25 Au32 . . 60.4(4) ?
Au26 Au25 Au32 . . 60.3(4) ?
Au13 Au25 Au32 . . 56.5(3) ?
Au10 Au25 Au31 . . 56.9(4) ?
Sb25 Au25 Au31 . . 119.7(7) ?
Au24 Au25 Au31 . . 109.8(6) ?
Au26 Au25 Au31 . . 59.9(4) ?
Au13 Au25 Au31 . . 57.9(4) ?
Au32 Au25 Au31 . . 108.6(5) ?
Au13 Au26 Sb6 . . 163.6(7) ?
Au13 Au26 Au21 . . 54.8(5) ?
Sb6 Au26 Au21 . . 110.6(7) ?
Au13 Au26 Au25 . . 63.5(4) ?
Sb6 Au26 Au25 . . 132.7(6) ?
Au21 Au26 Au25 . . 109.3(6) ?
Au13 Au26 Au31 . . 61.3(4) ?
Sb6 Au26 Au31 . . 121.1(5) ?
Au21 Au26 Au31 . . 61.9(4) ?
Au25 Au26 Au31 . . 60.4(4) ?
Au13 Au26 Au32 . . 59.5(3) ?
Sb6 Au26 Au32 . . 127.1(5) ?
Au21 Au26 Au32 . . 107.4(6) ?
Au25 Au26 Au32 . . 60.0(3) ?
Au31 Au26 Au32 . . 108.8(5) ?
Au13 Au26 Au27 . . 52.0(4) ?
Sb6 Au26 Au27 . . 116.0(6) ?
Au21 Au26 Au27 . . 59.1(4) ?
Au25 Au26 Au27 . . 105.8(5) ?
Au31 Au26 Au27 . . 107.7(5) ?
Au32 Au26 Au27 . . 58.2(4) ?
Au13 Au27 Sb27 . . 177.0(9) ?
Au13 Au27 Au8 . . 64.4(4) ?
Sb27 Au27 Au8 . . 113.6(9) ?
Au13 Au27 Au32 . . 62.2(4) ?
Sb27 Au27 Au32 . . 119.4(9) ?
Au8 Au27 Au32 . . 66.0(4) ?
Au13 Au27 Au21 . . 56.3(5) ?
Sb27 Au27 Au21 . . 123.8(9) ?
Au8 Au27 Au21 . . 109.8(7) ?
Au32 Au27 Au21 . . 109.9(5) ?
Au13 Au27 Au26 . . 57.1(3) ?
Sb27 Au27 Au26 . . 125.8(9) ?
Au8 Au27 Au26 . . 113.4(5) ?
Au32 Au27 Au26 . . 60.7(4) ?
Au21 Au27 Au26 . . 59.6(4) ?
Au13 Au27 Au9 . . 59.1(3) ?
Sb27 Au27 Au9 . . 118.1(8) ?
Au8 Au27 Au9 . . 59.6(3) ?
Au32 Au27 Au9 . . 111.8(5) ?
Au21 Au27 Au9 . . 59.6(6) ?
Au26 Au27 Au9 . . 108.1(5) ?
Cl3 Au31 Au10 . . 140.5(7) ?
Cl3 Au31 Au2 . . 124.5(6) ?
Au10 Au31 Au2 . . 66.4(4) ?
Cl3 Au31 Au13 . . 157.8(7) ?
Au10 Au31 Au13 . . 61.6(4) ?
Au2 Au31 Au13 . . 58.9(4) ?
Cl3 Au31 Au26 . . 108.9(7) ?
Au10 Au31 Au26 . . 101.5(5) ?
Au2 Au31 Au26 . . 107.1(5) ?
Au13 Au31 Au26 . . 53.9(3) ?
Cl3 Au31 Au25 . . 126.5(7) ?
Au10 Au31 Au25 . . 52.2(4) ?
Au2 Au31 Au25 . . 107.8(6) ?
Au13 Au31 Au25 . . 60.8(3) ?
Au26 Au31 Au25 . . 59.6(4) ?
Cl3 Au31 Au21 . . 108.9(7) ?
Au10 Au31 Au21 . . 108.4(7) ?
Au2 Au31 Au21 . . 59.6(6) ?
Au13 Au31 Au21 . . 51.7(5) ?
Au26 Au31 Au21 . . 58.6(4) ?
Au25 Au31 Au21 . . 106.0(5) ?
Cl4 Au32 Au13 . . 149.9(7) ?
Cl4 Au32 Au27 . . 98.5(6) ?
Au13 Au32 Au27 . . 51.7(4) ?
Cl4 Au32 Au25 . . 138.2(6) ?
Au13 Au32 Au25 . . 61.7(3) ?
Au27 Au32 Au25 . . 107.8(5) ?
Cl4 Au32 Au26 . . 110.5(5) ?
Au13 Au32 Au26 . . 54.5(3) ?
Au27 Au32 Au26 . . 61.0(4) ?
Au25 Au32 Au26 . . 59.7(3) ?
Cl4 Au32 Au24 . . 140.3(6) ?
Au13 Au32 Au24 . . 65.2(4) ?
Au27 Au32 Au24 . . 107.7(6) ?
Au25 Au32 Au24 . . 59.6(4) ?
Au26 Au32 Au24 . . 108.1(5) ?
Cl4 Au32 Au8 . . 113.5(5) ?
Au13 Au32 Au8 . . 56.6(2) ?
Au27 Au32 Au8 . . 54.6(4) ?
Au25 Au32 Au8 . . 108.2(4) ?
Au26 Au32 Au8 . . 104.6(4) ?
Au24 Au32 Au8 . . 63.7(4) ?
C79 Sb25 C85 . . 124.3(14) ?
C79 Sb25 C80 . . 38.1(10) ?
C85 Sb25 C80 . . 103.4(12) ?
C79 Sb25 Au25 . . 125.9(15) ?
C85 Sb25 Au25 . . 107.7(10) ?
C80 Sb25 Au25 . . 120.8(12) ?
C79 Sb25 C84 . . 20.9(9) ?
C85 Sb25 C84 . . 132.8(10) ?
C80 Sb25 C84 . . 58.9(7) ?
Au25 Sb25 C84 . . 119.0(10) ?
C109 Sb27 C115 . . 97.9(11) ?
C109 Sb27 Au27 . . 138.7(17) ?
C115 Sb27 Au27 . . 120.1(13) ?
C109 Sb27 C110 . . 32.7(7) ?
C115 Sb27 C110 . . 110.2(11) ?
Au27 Sb27 C110 . . 111.7(12) ?
C2 C1 C6 . . 120.0 ?
C2 C1 Sb1 . . 119.4(11) ?
C6 C1 Sb1 . . 120.6(10) ?
C1 C2 C3 . . 120.0 ?
C4 C3 C2 . . 120.0 ?
C3 C4 C5 . . 120.0 ?
C6 C5 C4 . . 120.0 ?
C5 C6 C1 . . 120.0 ?
C8 C7 C12 . . 120.0 ?
C8 C7 Sb1 . . 120.2(8) ?
C12 C7 Sb1 . . 119.8(8) ?
C9 C8 C7 . . 120.0 ?
C8 C9 C10 . . 120.0 ?
C9 C10 C11 . . 120.0 ?
C12 C11 C10 . . 120.0 ?
C11 C12 C7 . . 120.0 ?
C14 C13 C18 . . 120.0 ?
C14 C13 Sb1 . . 118.6(10) ?
C18 C13 Sb1 . . 121.4(10) ?
C15 C14 C13 . . 120.0 ?
C14 C15 C16 . . 120.0 ?
C17 C16 C15 . . 120.0 ?
C16 C17 C18 . . 120.0 ?
C17 C18 C13 . . 120.0 ?
C20 C19 C24 . . 120.0 ?
C20 C19 Sb2 . . 121.8(8) ?
C24 C19 Sb2 . . 118.2(8) ?
C21 C20 C19 . . 120.0 ?
C20 C21 C22 . . 120.0 ?
C23 C22 C21 . . 120.0 ?
C24 C23 C22 . . 120.0 ?
C23 C24 C19 . . 120.0 ?
C26 C25 C30 . . 120.0 ?
C26 C25 Sb2 . . 118.6(7) ?
C30 C25 Sb2 . . 121.4(7) ?
C27 C26 C25 . . 120.0 ?
C28 C27 C26 . . 120.0 ?
C27 C28 C29 . . 120.0 ?
C30 C29 C28 . . 120.0 ?
C29 C30 C25 . . 120.0 ?
C32 C31 C36 . . 120.0 ?
C32 C31 Sb2 . . 122.4(7) ?
C36 C31 Sb2 . . 117.4(7) ?
C31 C32 C33 . . 120.0 ?
C34 C33 C32 . . 120.0 ?
C33 C34 C35 . . 120.0 ?
C36 C35 C34 . . 120.0 ?
C35 C36 C31 . . 120.0 ?
C38 C37 C42 . . 120.0 ?
C38 C37 Sb3 . . 115.8(9) ?
C42 C37 Sb3 . . 124.2(9) ?
C39 C38 C37 . . 120.0 ?
C40 C39 C38 . . 120.0 ?
C41 C40 C39 . . 120.0 ?
C40 C41 C42 . . 120.0 ?
C41 C42 C37 . . 120.0 ?
C44 C43 C48 . . 120.0 ?
C44 C43 Sb3 . . 117.6(11) ?
C48 C43 Sb3 . . 122.4(11) ?
C43 C44 C45 . . 120.0 ?
C44 C45 C46 . . 120.0 ?
C47 C46 C45 . . 120.0 ?
C48 C47 C46 . . 120.0 ?
C47 C48 C43 . . 120.0 ?
C50 C49 C54 . . 120.0 ?
C50 C49 Sb3 . . 116.0(8) ?
C54 C49 Sb3 . . 124.0(8) ?
C49 C50 C51 . . 120.0 ?
C52 C51 C50 . . 120.0 ?
C51 C52 C53 . . 120.0 ?
C54 C53 C52 . . 120.0 ?
C53 C54 C49 . . 120.0 ?
C56 C55 C60 . . 120.0 ?
C56 C55 Sb4 . . 117.1(10) ?
C60 C55 Sb4 . . 122.9(10) ?
C55 C56 C57 . . 120.0 ?
C58 C57 C56 . . 120.0 ?
C59 C58 C57 . . 120.0 ?
C58 C59 C60 . . 120.0 ?
C59 C60 C55 . . 120.0 ?
C62 C61 C66 . . 120.0 ?
C62 C61 Sb4 . . 118.9(10) ?
C66 C61 Sb4 . . 121.1(10) ?
C63 C62 C61 . . 120.0 ?
C62 C63 C64 . . 120.0 ?
C63 C64 C65 . . 120.0 ?
C64 C65 C66 . . 120.0 ?
C65 C66 C61 . . 120.0 ?
C68 C67 C72 . . 120.0 ?
C68 C67 Sb4 . . 120.4(11) ?
C72 C67 Sb4 . . 119.6(11) ?
C67 C68 C69 . . 120.0 ?
C70 C69 C68 . . 120.0 ?
C69 C70 C71 . . 120.0 ?
C72 C71 C70 . . 120.0 ?
C71 C72 C67 . . 120.0 ?
C74 C73 C78 . . 120.0 ?
C74 C73 Sb5 . . 118.5(10) ?
C78 C73 Sb5 . . 121.5(10) ?
C73 C74 C75 . . 120.0 ?
C76 C75 C74 . . 120.0 ?
C75 C76 C77 . . 120.0 ?
C78 C77 C76 . . 120.0 ?
C77 C78 C73 . . 120.0 ?
C80 C79 C84 . . 120.0 ?
C80 C79 Sb25 . . 102.3(18) ?
C84 C79 Sb25 . . 137.4(18) ?
C80 C79 Sb5 . . 120.7(12) ?
C84 C79 Sb5 . . 119.3(12) ?
C81 C80 C79 . . 120.0 ?
C81 C80 Sb25 . . 159.3(10) ?
C79 C80 Sb25 . . 39.7(10) ?
C80 C81 C82 . . 120.0 ?
C83 C82 C81 . . 120.0 ?
C84 C83 C82 . . 120.0 ?
C83 C84 C79 . . 120.0 ?
C83 C84 Sb25 . . 141.4(10) ?
C79 C84 Sb25 . . 21.7(10) ?
C86 C85 C90 . . 120.0 ?
C86 C85 Sb5 . . 117.8(9) ?
C90 C85 Sb5 . . 122.2(9) ?
C86 C85 Sb25 . . 107.1(12) ?
C90 C85 Sb25 . . 126.9(11) ?
C85 C86 C87 . . 120.0 ?
C86 C87 C88 . . 120.0 ?
C87 C88 C89 . . 120.0 ?
C90 C89 C88 . . 120.0 ?
C89 C90 C85 . . 120.0 ?
C92 C91 C96 . . 120.0 ?
C92 C91 Sb6 . . 116.5(9) ?
C96 C91 Sb6 . . 123.0(9) ?
C93 C92 C91 . . 120.0 ?
C92 C93 C94 . . 120.0 ?
C95 C94 C93 . . 120.0 ?
C96 C95 C94 . . 120.0 ?
C95 C96 C91 . . 120.0 ?
C98 C97 C102 . . 120.0 ?
C98 C97 Sb6 . . 117.0(9) ?
C102 C97 Sb6 . . 122.8(9) ?
C97 C98 C99 . . 120.0 ?
C98 C99 C100 . . 120.0 ?
C101 C100 C99 . . 120.0 ?
C100 C101 C102 . . 120.0 ?
C101 C102 C97 . . 120.0 ?
C104 C103 C108 . . 120.0 ?
C104 C103 Sb6 . . 120.8(11) ?
C108 C103 Sb6 . . 119.2(11) ?
C103 C104 C105 . . 120.0 ?
C104 C105 C106 . . 120.0 ?
C107 C106 C105 . . 120.0 ?
C106 C107 C108 . . 120.0 ?
C107 C108 C103 . . 120.0 ?
C110 C109 C114 . . 120.0 ?
C110 C109 Sb27 . . 98.9(14) ?
C114 C109 Sb27 . . 140.9(14) ?
C110 C109 Sb7 . . 118.3(11) ?
C114 C109 Sb7 . . 121.7(11) ?
C111 C110 C109 . . 120.0 ?
C111 C110 Sb27 . . 167.9(9) ?
C109 C110 Sb27 . . 48.4(9) ?
C110 C111 C112 . . 120.0 ?
C113 C112 C111 . . 120.0 ?
C112 C113 C114 . . 120.0 ?
C113 C114 C109 . . 120.0 ?
C116 C115 C120 . . 120.0 ?
C116 C115 Sb7 . . 120.1(11) ?
C120 C115 Sb7 . . 119.8(11) ?
C116 C115 Sb27 . . 108.7(13) ?
C120 C115 Sb27 . . 128.0(12) ?
C115 C116 C117 . . 120.0 ?
C116 C117 C118 . . 120.0 ?
C119 C118 C117 . . 120.0 ?
C120 C119 C118 . . 120.0 ?
C119 C120 C115 . . 120.0 ?
C122 C121 C126 . . 120.0 ?
C122 C121 Sb7 . . 123.3(10) ?
C126 C121 Sb7 . . 116.7(10) ?
C121 C122 C123 . . 120.0 ?
C124 C123 C122 . . 120.0 ?
C123 C124 C125 . . 120.0 ?
C126 C125 C124 . . 120.0 ?
C125 C126 C121 . . 120.0 ?
C128 C127 C132 . . 120.0 ?
C128 C127 Sb8 . . 119.4(12) ?
C132 C127 Sb8 . . 120.5(12) ?
C127 C128 C129 . . 120.0 ?
C130 C129 C128 . . 120.0 ?
C129 C130 C131 . . 120.0 ?
C130 C131 C132 . . 120.0 ?
C131 C132 C127 . . 120.0 ?
C134 C133 C138 . . 120.0 ?
C134 C133 Sb8 . . 111.6(12) ?
C138 C133 Sb8 . . 128.2(12) ?
C133 C134 C135 . . 120.0 ?
C136 C135 C134 . . 120.0 ?
C135 C136 C137 . . 120.0 ?
C136 C137 C138 . . 120.0 ?
C137 C138 C133 . . 120.0 ?
C140 C139 C144 . . 120.0 ?
C140 C139 Sb8 . . 121.3(14) ?
C144 C139 Sb8 . . 118.7(14) ?
C139 C140 C141 . . 120.0 ?
C140 C141 C142 . . 120.0 ?
C143 C142 C141 . . 120.0 ?
C142 C143 C144 . . 120.0 ?
C143 C144 C139 . . 120.0 ?
C146 C145 C150 . . 120.0 ?
C146 C145 B1 . . 118.(3) ?
C150 C145 B1 . . 121.(3) ?
C145 C146 C147 . . 120.0 ?
C148 C147 C146 . . 120.0 ?
C147 C148 C149 . . 120.0 ?
C150 C149 C148 . . 120.0 ?
C149 C150 C145 . . 120.0 ?
C152 C151 C156 . . 120.0 ?
C152 C151 B1 . . 115.(2) ?
C156 C151 B1 . . 125.(2) ?
C153 C152 C151 . . 120.0 ?
C154 C153 C152 . . 120.0 ?
C155 C154 C153 . . 120.0 ?
C154 C155 C156 . . 120.0 ?
C155 C156 C151 . . 120.0 ?
C158 C157 C162 . . 120.0 ?
C158 C157 B1 . . 119.(2) ?
C162 C157 B1 . . 121.(2) ?
C157 C158 C159 . . 120.0 ?
C160 C159 C158 . . 120.0 ?
C161 C160 C159 . . 120.0 ?
C160 C161 C162 . . 120.0 ?
C161 C162 C157 . . 120.0 ?
C164 C163 C168 . . 120.0 ?
C164 C163 B1 . . 125.(2) ?
C168 C163 B1 . . 115.(2) ?
C165 C164 C163 . . 120.0 ?
C164 C165 C166 . . 120.0 ?
C167 C166 C165 . . 120.0 ?
C166 C167 C168 . . 120.0 ?
C167 C168 C163 . . 120.0 ?
C157 B1 C145 . . 117.(3) ?
C157 B1 C163 . . 102.(3) ?
C145 B1 C163 . . 113.(3) ?
C157 B1 C151 . . 112.(3) ?
C145 B1 C151 . . 102.(3) ?
C163 B1 C151 . . 112.(3) ?
Cl1S C1S Cl2S . . 121.(3) ?
Cl4S C2S Cl3S . . 121.(3) ?
Cl6S C3S Cl5S . . 121.(3) ?
Cl7S C4S Cl8S . . 120.(3) ?

####################################################################### 
# 
# 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_lwk634m
_database_code_depnum_ccdc_archive 'CCDC 1852143'
_audit_update_record             
;
2018-06-28 deposited with the CCDC.
2018-09-17 downloaded from the CCDC.
;
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C77 H77 Au Cl2 Sb4'
_chemical_formula_iupac          ?
_chemical_formula_weight         1757.25

_chemical_melting_point          ?

_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 2/c 1'
_space_group_name_Hall           '-P 2yc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   24.5859(4)
_cell_length_b                   11.8194(2)
_cell_length_c                   26.9019(4)
_cell_angle_alpha                90
_cell_angle_beta                 116.2770(10)
_cell_angle_gamma                90
_cell_volume                     7009.6(2)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9913
_cell_measurement_theta_min      2.3006
_cell_measurement_theta_max      29.0527
_cell_measurement_temperature    100.(2)

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.040
_exptl_crystal_density_diffrn    1.665
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3424

_exptl_absorpt_coefficient_mu    3.725
_exptl_absorpt_correction_type   Multi-Scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction
;
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_T_max  0.86

_exptl_special_details           
;
;

_diffrn_ambient_temperature      100.(2)

_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'

_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_monochromator  'Multilayer Mirror'

_diffrn_measurement_device_type  'Photon II CPADs detector'
_diffrn_measurement_method       'phi and omega scans'

_diffrn_detector_area_resol_mean 7.4074

_diffrn_reflns_number            67565
_diffrn_reflns_av_R_equivalents  0.0796
_diffrn_reflns_av_unetI/netI     0.0683
_diffrn_reflns_theta_min         2.25
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_full        27.00
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       34

_refine_special_details          
;
;

_reflns_number_total             15295
_reflns_number_gt                10985
_reflns_threshold_expression     'I > 2σ(I)'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_R_factor_all          0.0765
_refine_ls_R_factor_gt           0.0440
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0955
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_number_reflns         15295
_refine_ls_number_parameters     768
_refine_ls_number_restraints     0
_refine_ls_number_constraints    ?
_refine_ls_hydrogen_treatment    constr
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0267P)²+18.1258P] where P=(Fo²+2Fc²)/3'

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?

_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         3.151
_refine_diff_density_min         -1.809
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_computing_data_collection       'APEX3 (Bruker AXS Inc., 2017)'
_computing_cell_refinement       'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_data_reduction        'SAINT V8.38A (Bruker AXS Inc., 2017)'
_computing_structure_solution    'XT, VERSION 2014/5'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_molecular_graphics    'XP (Bruker AXS Inc., 2017)'
_computing_publication_material  'APEX3 (Bruker AXS Inc., 2017)'

loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_flags_posn
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.26200(2) 0.53940(2) 0.51285(2) 0.02266(7) Uani d . . . 1 . .
C C1 0.2595(3) 0.8429(6) 0.4168(3) 0.0346(17) Uani d . . . 1 . .
C C2 0.1987(4) 0.8691(6) 0.3887(3) 0.046(2) Uani d . . . 1 . .
H H2 0.171788 0.848459 0.40392 0.055 Uiso calc U . R 1 . .
C C3 0.1767(4) 0.9258(7) 0.3381(3) 0.051(2) Uani d . . . 1 . .
H H3 0.134624 0.942095 0.318702 0.061 Uiso calc U . R 1 . .
C C4 0.2154(5) 0.9589(7) 0.3156(3) 0.052(2) Uani d . . . 1 . .
C C5 0.2761(4) 0.9318(6) 0.3441(3) 0.051(2) Uani d . . . 1 . .
H H5 0.303125 0.953357 0.329175 0.061 Uiso calc U . R 1 . .
C C6 0.2984(4) 0.8737(6) 0.3941(3) 0.0416(19) Uani d . . . 1 . .
H H6 0.340284 0.854883 0.412831 0.05 Uiso calc U . R 1 . .
C C7 0.1917(5) 1.0223(8) 0.2613(3) 0.079(3) Uani d . . . 1 . .
H H7A 0.21776 1.087845 0.265268 0.118 Uiso calc U . R 1 . .
H H7B 0.150236 1.048147 0.251091 0.118 Uiso calc U . R 1 . .
H H7C 0.191782 0.972185 0.232321 0.118 Uiso calc U . R 1 . .
C C8 0.3610(3) 0.8501(6) 0.5530(2) 0.0305(15) Uani d . . . 1 . .
C C9 0.3773(3) 0.9535(6) 0.5400(3) 0.0343(16) Uani d . . . 1 . .
H H9 0.356647 0.981835 0.503208 0.041 Uiso calc U . R 1 . .
C C10 0.4238(3) 1.0169(6) 0.5801(3) 0.0363(17) Uani d . . . 1 . .
H H10 0.433887 1.088722 0.570647 0.044 Uiso calc U . R 1 . .
C C11 0.4553(4) 0.9765(7) 0.6336(3) 0.0435(19) Uani d . . . 1 . .
C C12 0.4386(4) 0.8735(7) 0.6464(3) 0.049(2) Uani d . . . 1 . .
H H12 0.459389 0.844887 0.683091 0.059 Uiso calc U . R 1 . .
C C13 0.3919(4) 0.8108(6) 0.6066(3) 0.0420(19) Uani d . . . 1 . .
H H13 0.381118 0.739993 0.616373 0.05 Uiso calc U . R 1 . .
C C14 0.5061(4) 1.0447(7) 0.6767(4) 0.067(3) Uani d . . . 1 . .
H H14A 0.489269 1.099332 0.693568 0.1 Uiso calc U . R 1 . .
H H14B 0.527854 1.085141 0.659177 0.1 Uiso calc U . R 1 . .
H H14C 0.534169 0.993923 0.705388 0.1 Uiso calc U . R 1 . .
C C15 0.2287(3) 0.4691(5) 0.3537(2) 0.0240(13) Uani d . . . 1 . .
C C16 0.2270(3) 0.4055(6) 0.3091(2) 0.0298(15) Uani d . . . 1 . .
H H16 0.233137 0.32604 0.312777 0.036 Uiso calc U . R 1 . .
C C17 0.2162(3) 0.4586(6) 0.2597(3) 0.0323(16) Uani d . . . 1 . .
H H17 0.215908 0.41464 0.230038 0.039 Uiso calc U . R 1 . .
C C18 0.2058(3) 0.5736(6) 0.2525(2) 0.0294(15) Uani d . . . 1 . .
C C19 0.2070(3) 0.6362(6) 0.2965(3) 0.0317(16) Uani d . . . 1 . .
H H19 0.200185 0.715539 0.292655 0.038 Uiso calc U . R 1 . .
C C20 0.2180(3) 0.5833(6) 0.3466(2) 0.0310(16) Uani d . . . 1 . .
H H20 0.21809 0.627169 0.376187 0.037 Uiso calc U . R 1 . .
C C21 0.1956(3) 0.6310(7) 0.1987(3) 0.044(2) Uani d . . . 1 . .
H H21A 0.152107 0.631258 0.173473 0.066 Uiso calc U . R 1 . .
H H21B 0.217487 0.589806 0.18158 0.066 Uiso calc U . R 1 . .
H H21C 0.210451 0.709014 0.206346 0.066 Uiso calc U . R 1 . .
C C22 0.3278(3) 0.3035(6) 0.4476(2) 0.0275(15) Uani d . . . 1 . .
C C23 0.3277(3) 0.1953(6) 0.4279(2) 0.0292(15) Uani d . . . 1 . .
H H23 0.290404 0.156501 0.408254 0.035 Uiso calc U . R 1 . .
C C24 0.3814(3) 0.1433(6) 0.4365(3) 0.0317(16) Uani d . . . 1 . .
H H24 0.380375 0.069366 0.42222 0.038 Uiso calc U . R 1 . .
C C25 0.4372(3) 0.1969(6) 0.4656(3) 0.0329(16) Uani d . . . 1 . .
C C26 0.4373(3) 0.3040(6) 0.4868(3) 0.0357(17) Uani d . . . 1 . .
H H26 0.474815 0.34145 0.507621 0.043 Uiso calc U . R 1 . .
C C27 0.3840(3) 0.3567(6) 0.4782(3) 0.0327(16) Uani d . . . 1 . .
H H27 0.385105 0.429948 0.493157 0.039 Uiso calc U . R 1 . .
C C28 0.4954(3) 0.1419(7) 0.4730(3) 0.051(2) Uani d . . . 1 . .
H H28A 0.523286 0.137637 0.512605 0.077 Uiso calc U . R 1 . .
H H28B 0.513973 0.186848 0.453946 0.077 Uiso calc U . R 1 . .
H H28C 0.486955 0.065469 0.457322 0.077 Uiso calc U . R 1 . .
C C29 0.1819(3) 0.2705(6) 0.4073(2) 0.0274(15) Uani d . . . 1 . .
C C30 0.1870(3) 0.1804(6) 0.4430(3) 0.0322(16) Uani d . . . 1 . .
H H30 0.221327 0.176041 0.478163 0.039 Uiso calc U . R 1 . .
C C31 0.1422(4) 0.0968(6) 0.4275(3) 0.0406(18) Uani d . . . 1 . .
H H31 0.146689 0.036099 0.452184 0.049 Uiso calc U . R 1 . .
C C32 0.0916(3) 0.1013(6) 0.3769(3) 0.0376(17) Uani d . . . 1 . .
C C33 0.0866(3) 0.1900(7) 0.3419(3) 0.0405(18) Uani d . . . 1 . .
H H33 0.052046 0.194199 0.306933 0.049 Uiso calc U . R 1 . .
C C34 0.1311(3) 0.2739(6) 0.3565(3) 0.0341(16) Uani d . . . 1 . .
H H34 0.126412 0.33385 0.331407 0.041 Uiso calc U . R 1 . .
C C35 0.0430(4) 0.0121(7) 0.3606(4) 0.059(2) Uani d . . . 1 . .
H H35A 0.014462 0.031993 0.37564 0.089 Uiso calc U . R 1 . .
H H35B 0.061616 -0.061242 0.375543 0.089 Uiso calc U . R 1 . .
H H35C 0.021212 0.007622 0.320117 0.089 Uiso calc U . R 1 . .
C C36 0.0823(3) 0.6080(6) 0.4419(2) 0.0324(16) Uani d . . . 1 . .
C C37 0.0355(3) 0.6695(7) 0.4438(3) 0.0396(18) Uani d . . . 1 . .
H H37 0.033918 0.678953 0.478185 0.048 Uiso calc U . R 1 . .
C C38 -0.0094(3) 0.7179(6) 0.3961(3) 0.0387(18) Uani d . . . 1 . .
H H38 -0.041413 0.759052 0.398406 0.046 Uiso calc U . R 1 . .
C C39 -0.0082(3) 0.7072(6) 0.3455(2) 0.0359(17) Uani d . . . 1 . .
C C40 0.0384(4) 0.6446(8) 0.3435(3) 0.051(2) Uani d . . . 1 . .
H H40 0.039378 0.633934 0.308935 0.061 Uiso calc U . R 1 . .
C C41 0.0840(3) 0.5970(7) 0.3912(3) 0.047(2) Uani d . . . 1 . .
H H41 0.116298 0.556879 0.388924 0.056 Uiso calc U . R 1 . .
C C42 -0.0564(3) 0.7606(7) 0.2940(3) 0.050(2) Uani d . . . 1 . .
H H42A -0.037193 0.810342 0.277196 0.075 Uiso calc U . R 1 . .
H H42B -0.083953 0.804977 0.303718 0.075 Uiso calc U . R 1 . .
H H42C -0.079283 0.701307 0.267534 0.075 Uiso calc U . R 1 . .
C C43 0.1271(3) 0.3724(6) 0.5162(3) 0.0330(16) Uani d . . . 1 . .
C C44 0.0713(3) 0.3262(7) 0.4805(3) 0.0395(18) Uani d . . . 1 . .
H H44 0.042656 0.371966 0.45181 0.047 Uiso calc U . R 1 . .
C C45 0.0566(3) 0.2157(7) 0.4856(3) 0.0418(18) Uani d . . . 1 . .
H H45 0.017987 0.187233 0.460551 0.05 Uiso calc U . R 1 . .
C C46 0.0971(4) 0.1451(7) 0.5266(3) 0.048(2) Uani d . . . 1 . .
C C47 0.1526(3) 0.1908(7) 0.5629(3) 0.0439(19) Uani d . . . 1 . .
H H47 0.180873 0.145165 0.591893 0.053 Uiso calc U . R 1 . .
C C48 0.1674(3) 0.2992(7) 0.5578(3) 0.0399(18) Uani d . . . 1 . .
H H48 0.206085 0.326948 0.583013 0.048 Uiso calc U . R 1 . .
C C49 0.0834(4) 0.0217(8) 0.5319(4) 0.070(3) Uani d . . . 1 . .
H H49A 0.076199 0.012009 0.564733 0.106 Uiso calc U . R 1 . .
H H49B 0.117954 -0.025079 0.535774 0.106 Uiso calc U . R 1 . .
H H49C 0.047187 -0.001638 0.498795 0.106 Uiso calc U . R 1 . .
C C50 0.1298(3) 0.6088(6) 0.5757(2) 0.0329(16) Uani d . . . 1 . .
C C51 0.0920(3) 0.5452(7) 0.5907(3) 0.0370(17) Uani d . . . 1 . .
H H51 0.077585 0.473771 0.573771 0.044 Uiso calc U . R 1 . .
C C52 0.0751(3) 0.5854(7) 0.6301(3) 0.0388(18) Uani d . . . 1 . .
H H52 0.050298 0.539799 0.64087 0.047 Uiso calc U . R 1 . .
C C53 0.0933(3) 0.6892(7) 0.6539(3) 0.0404(18) Uani d . . . 1 . .
C C54 0.1299(3) 0.7560(7) 0.6385(3) 0.0389(18) Uani d . . . 1 . .
H H54 0.142245 0.828904 0.654339 0.047 Uiso calc U . R 1 . .
C C55 0.1487(3) 0.7149(6) 0.5990(2) 0.0354(17) Uani d . . . 1 . .
H H55 0.173977 0.759805 0.588572 0.043 Uiso calc U . R 1 . .
C C56 0.0750(4) 0.7324(8) 0.6975(3) 0.056(2) Uani d . . . 1 . .
H H56A 0.040116 0.689154 0.695432 0.085 Uiso calc U . R 1 . .
H H56B 0.064164 0.812616 0.690735 0.085 Uiso calc U . R 1 . .
H H56C 0.109055 0.723356 0.734345 0.085 Uiso calc U . R 1 . .
C C57 0.3352(3) 0.3062(5) 0.6339(2) 0.0250(14) Uani d . . . 1 . .
C C58 0.3247(3) 0.2140(6) 0.5988(3) 0.0327(16) Uani d . . . 1 . .
H H58 0.324742 0.224247 0.563806 0.039 Uiso calc U . R 1 . .
C C59 0.3144(3) 0.1078(6) 0.6140(3) 0.0374(17) Uani d . . . 1 . .
H H59 0.306974 0.046023 0.589303 0.045 Uiso calc U . R 1 . .
C C60 0.3146(3) 0.0902(6) 0.6655(3) 0.0394(18) Uani d . . . 1 . .
C C61 0.3250(4) 0.1817(6) 0.7002(3) 0.0408(19) Uani d . . . 1 . .
H H61 0.325465 0.171064 0.735375 0.049 Uiso calc U . R 1 . .
C C62 0.3348(3) 0.2902(6) 0.6848(3) 0.0371(17) Uani d . . . 1 . .
H H62 0.341146 0.352491 0.709091 0.045 Uiso calc U . R 1 . .
C C63 0.3034(4) -0.0261(7) 0.6820(4) 0.061(3) Uani d . . . 1 . .
H H63A 0.298926 -0.020916 0.716385 0.091 Uiso calc U . R 1 . .
H H63B 0.337676 -0.07554 0.687853 0.091 Uiso calc U . R 1 . .
H H63C 0.266159 -0.057437 0.652527 0.091 Uiso calc U . R 1 . .
C C64 0.3594(3) 0.5689(5) 0.6760(2) 0.0274(15) Uani d . . . 1 . .
C C65 0.3100(3) 0.6256(5) 0.6757(2) 0.0293(15) Uani d . . . 1 . .
H H65 0.271259 0.618424 0.644901 0.035 Uiso calc U . R 1 . .
C C66 0.3173(3) 0.6933(6) 0.7205(3) 0.0344(16) Uani d . . . 1 . .
H H66 0.283102 0.732073 0.719838 0.041 Uiso calc U . R 1 . .
C C67 0.3726(3) 0.7053(6) 0.7657(3) 0.0333(16) Uani d . . . 1 . .
C C68 0.4216(3) 0.6520(7) 0.7648(3) 0.0412(19) Uani d . . . 1 . .
H H68 0.46052 0.662528 0.794976 0.049 Uiso calc U . R 1 . .
C C69 0.4158(3) 0.5825(6) 0.7206(2) 0.0324(16) Uani d . . . 1 . .
H H69 0.450233 0.544908 0.72127 0.039 Uiso calc U . R 1 . .
C C70 0.3797(4) 0.7759(7) 0.8155(3) 0.054(2) Uani d . . . 1 . .
H H70A 0.35013 0.837786 0.803136 0.082 Uiso calc U . R 1 . .
H H70B 0.420821 0.807245 0.83346 0.082 Uiso calc U . R 1 . .
H H70C 0.372712 0.728132 0.841859 0.082 Uiso calc U . R 1 . .
C C71 0.4417(3) 0.4503(6) 0.6235(2) 0.0279(15) Uani d . . . 1 . .
C C72 0.4677(3) 0.5203(6) 0.5985(2) 0.0363(17) Uani d . . . 1 . .
H H72 0.444089 0.576687 0.572814 0.044 Uiso calc U . R 1 . .
C C73 0.5290(3) 0.5068(7) 0.6114(3) 0.043(2) Uani d . . . 1 . .
H H73 0.546734 0.555073 0.594362 0.052 Uiso calc U . R 1 . .
C C74 0.5644(3) 0.4257(7) 0.6482(3) 0.0385(18) Uani d . . . 1 . .
C C75 0.5378(3) 0.3558(6) 0.6721(3) 0.0360(17) Uani d . . . 1 . .
H H75 0.56141 0.298833 0.697379 0.043 Uiso calc U . R 1 . .
C C76 0.4771(3) 0.3672(6) 0.6599(3) 0.0313(15) Uani d . . . 1 . .
H H76 0.459507 0.317581 0.676549 0.038 Uiso calc U . R 1 . .
C C77 0.6316(3) 0.4171(8) 0.6643(3) 0.055(2) Uani d . . . 1 . .
H H77A 0.654488 0.457464 0.699295 0.082 Uiso calc U . R 1 . .
H H77B 0.639995 0.451025 0.63521 0.082 Uiso calc U . R 1 . .
H H77C 0.643731 0.337379 0.668914 0.082 Uiso calc U . R 1 . .
Cl Cl1 0.37478(8) 0.66467(15) 0.46898(7) 0.0360(4) Uani d . . . 1 . .
Cl Cl2 0.21610(8) 0.85157(15) 0.51877(7) 0.0384(4) Uani d . . . 1 . .
Sb Sb1 0.29268(2) 0.74640(4) 0.49300(2) 0.02931(11) Uani d . . . 1 . .
Sb Sb2 0.24903(2) 0.39833(4) 0.43243(2) 0.02458(10) Uani d . . . 1 . .
Sb Sb3 0.15502(2) 0.54223(4) 0.51455(2) 0.02966(11) Uani d . . . 1 . .
Sb Sb4 0.34880(2) 0.46850(4) 0.60679(2) 0.02250(10) Uani 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_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 Sb4 . 2.6206(5) ?
Au1 Sb2 . 2.6366(5) ?
Au1 Sb3 . 2.6510(5) ?
Au1 Sb1 . 2.6826(5) ?
C1 C2 . 1.379(10) ?
C1 C6 . 1.392(10) ?
C1 Sb1 . 2.166(6) ?
C2 C3 . 1.394(9) ?
C2 H2 . 0.95 ?
C3 C4 . 1.391(12) ?
C3 H3 . 0.95 ?
C4 C5 . 1.380(12) ?
C4 C7 . 1.510(10) ?
C5 C6 . 1.390(9) ?
C5 H5 . 0.95 ?
C6 H6 . 0.95 ?
C7 H7A . 0.98 ?
C7 H7B . 0.98 ?
C7 H7C . 0.98 ?
C8 C13 . 1.379(9) ?
C8 C9 . 1.380(9) ?
C8 Sb1 . 2.128(7) ?
C9 C10 . 1.393(9) ?
C9 H9 . 0.95 ?
C10 C11 . 1.383(10) ?
C10 H10 . 0.95 ?
C11 C12 . 1.377(10) ?
C11 C14 . 1.506(11) ?
C12 C13 . 1.388(10) ?
C12 H12 . 0.95 ?
C13 H13 . 0.95 ?
C14 H14A . 0.98 ?
C14 H14B . 0.98 ?
C14 H14C . 0.98 ?
C15 C20 . 1.372(9) ?
C15 C16 . 1.398(8) ?
C15 Sb2 . 2.122(6) ?
C16 C17 . 1.385(8) ?
C16 H16 . 0.95 ?
C17 C18 . 1.381(9) ?
C17 H17 . 0.95 ?
C18 C19 . 1.387(9) ?
C18 C21 . 1.513(8) ?
C19 C20 . 1.398(8) ?
C19 H19 . 0.95 ?
C20 H20 . 0.95 ?
C21 H21A . 0.98 ?
C21 H21B . 0.98 ?
C21 H21C . 0.98 ?
C22 C23 . 1.384(9) ?
C22 C27 . 1.404(9) ?
C22 Sb2 . 2.116(6) ?
C23 C24 . 1.379(9) ?
C23 H23 . 0.95 ?
C24 C25 . 1.394(10) ?
C24 H24 . 0.95 ?
C25 C26 . 1.388(10) ?
C25 C28 . 1.502(10) ?
C26 C27 . 1.376(9) ?
C26 H26 . 0.95 ?
C27 H27 . 0.95 ?
C28 H28A . 0.98 ?
C28 H28B . 0.98 ?
C28 H28C . 0.98 ?
C29 C34 . 1.384(9) ?
C29 C30 . 1.403(9) ?
C29 Sb2 . 2.115(6) ?
C30 C31 . 1.398(10) ?
C30 H30 . 0.95 ?
C31 C32 . 1.381(10) ?
C31 H31 . 0.95 ?
C32 C33 . 1.377(10) ?
C32 C35 . 1.506(10) ?
C33 C34 . 1.398(10) ?
C33 H33 . 0.95 ?
C34 H34 . 0.95 ?
C35 H35A . 0.98 ?
C35 H35B . 0.98 ?
C35 H35C . 0.98 ?
C36 C37 . 1.382(9) ?
C36 C41 . 1.389(8) ?
C36 Sb3 . 2.127(6) ?
C37 C38 . 1.392(9) ?
C37 H37 . 0.95 ?
C38 C39 . 1.379(9) ?
C38 H38 . 0.95 ?
C39 C40 . 1.385(10) ?
C39 C42 . 1.506(9) ?
C40 C41 . 1.393(10) ?
C40 H40 . 0.95 ?
C41 H41 . 0.95 ?
C42 H42A . 0.98 ?
C42 H42B . 0.98 ?
C42 H42C . 0.98 ?
C43 C44 . 1.392(10) ?
C43 C48 . 1.414(10) ?
C43 Sb3 . 2.128(7) ?
C44 C45 . 1.378(10) ?
C44 H44 . 0.95 ?
C45 C46 . 1.389(10) ?
C45 H45 . 0.95 ?
C46 C47 . 1.390(11) ?
C46 C49 . 1.518(11) ?
C47 C48 . 1.354(10) ?
C47 H47 . 0.95 ?
C48 H48 . 0.95 ?
C49 H49A . 0.98 ?
C49 H49B . 0.98 ?
C49 H49C . 0.98 ?
C50 C55 . 1.387(10) ?
C50 C51 . 1.387(9) ?
C50 Sb3 . 2.148(6) ?
C51 C52 . 1.384(9) ?
C51 H51 . 0.95 ?
C52 C53 . 1.364(10) ?
C52 H52 . 0.95 ?
C53 C54 . 1.391(10) ?
C53 C56 . 1.516(9) ?
C54 C55 . 1.418(8) ?
C54 H54 . 0.95 ?
C55 H55 . 0.95 ?
C56 H56A . 0.98 ?
C56 H56B . 0.98 ?
C56 H56C . 0.98 ?
C57 C62 . 1.386(8) ?
C57 C58 . 1.390(9) ?
C57 Sb4 . 2.131(6) ?
C58 C59 . 1.378(9) ?
C58 H58 . 0.95 ?
C59 C60 . 1.396(9) ?
C59 H59 . 0.95 ?
C60 C61 . 1.378(10) ?
C60 C63 . 1.508(10) ?
C61 C62 . 1.401(10) ?
C61 H61 . 0.95 ?
C62 H62 . 0.95 ?
C63 H63A . 0.98 ?
C63 H63B . 0.98 ?
C63 H63C . 0.98 ?
C64 C65 . 1.383(9) ?
C64 C69 . 1.385(9) ?
C64 Sb4 . 2.124(6) ?
C65 C66 . 1.391(9) ?
C65 H65 . 0.95 ?
C66 C67 . 1.374(10) ?
C66 H66 . 0.95 ?
C67 C68 . 1.367(10) ?
C67 C70 . 1.521(9) ?
C68 C69 . 1.400(9) ?
C68 H68 . 0.95 ?
C69 H69 . 0.95 ?
C70 H70A . 0.98 ?
C70 H70B . 0.98 ?
C70 H70C . 0.98 ?
C71 C76 . 1.388(9) ?
C71 C72 . 1.389(9) ?
C71 Sb4 . 2.134(6) ?
C72 C73 . 1.398(10) ?
C72 H72 . 0.95 ?
C73 C74 . 1.377(11) ?
C73 H73 . 0.95 ?
C74 C75 . 1.378(10) ?
C74 C77 . 1.513(10) ?
C75 C76 . 1.385(9) ?
C75 H75 . 0.95 ?
C76 H76 . 0.95 ?
C77 H77A . 0.98 ?
C77 H77B . 0.98 ?
C77 H77C . 0.98 ?
Cl1 Sb1 . 2.5652(17) ?
Cl2 Sb1 . 2.5935(17) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Sb4 Au1 Sb2 . . 109.883(16) ?
Sb4 Au1 Sb3 . . 112.208(14) ?
Sb2 Au1 Sb3 . . 105.167(16) ?
Sb4 Au1 Sb1 . . 107.632(16) ?
Sb2 Au1 Sb1 . . 110.852(15) ?
Sb3 Au1 Sb1 . . 111.129(17) ?
C2 C1 C6 . . 119.5(6) ?
C2 C1 Sb1 . . 119.9(5) ?
C6 C1 Sb1 . . 120.6(5) ?
C1 C2 C3 . . 119.9(8) ?
C1 C2 H2 . . 120.0 ?
C3 C2 H2 . . 120.0 ?
C4 C3 C2 . . 121.1(8) ?
C4 C3 H3 . . 119.4 ?
C2 C3 H3 . . 119.4 ?
C5 C4 C3 . . 118.2(7) ?
C5 C4 C7 . . 120.7(8) ?
C3 C4 C7 . . 121.1(9) ?
C4 C5 C6 . . 121.3(8) ?
C4 C5 H5 . . 119.4 ?
C6 C5 H5 . . 119.4 ?
C5 C6 C1 . . 120.0(8) ?
C5 C6 H6 . . 120.0 ?
C1 C6 H6 . . 120.0 ?
C4 C7 H7A . . 109.5 ?
C4 C7 H7B . . 109.5 ?
H7A C7 H7B . . 109.5 ?
C4 C7 H7C . . 109.5 ?
H7A C7 H7C . . 109.5 ?
H7B C7 H7C . . 109.5 ?
C13 C8 C9 . . 118.5(6) ?
C13 C8 Sb1 . . 118.9(5) ?
C9 C8 Sb1 . . 122.5(5) ?
C8 C9 C10 . . 120.7(6) ?
C8 C9 H9 . . 119.7 ?
C10 C9 H9 . . 119.7 ?
C11 C10 C9 . . 120.7(7) ?
C11 C10 H10 . . 119.6 ?
C9 C10 H10 . . 119.6 ?
C12 C11 C10 . . 118.3(7) ?
C12 C11 C14 . . 121.2(7) ?
C10 C11 C14 . . 120.5(7) ?
C11 C12 C13 . . 121.0(7) ?
C11 C12 H12 . . 119.5 ?
C13 C12 H12 . . 119.5 ?
C8 C13 C12 . . 120.8(7) ?
C8 C13 H13 . . 119.6 ?
C12 C13 H13 . . 119.6 ?
C11 C14 H14A . . 109.5 ?
C11 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C11 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
C20 C15 C16 . . 118.5(6) ?
C20 C15 Sb2 . . 118.2(4) ?
C16 C15 Sb2 . . 123.2(5) ?
C17 C16 C15 . . 120.0(6) ?
C17 C16 H16 . . 120.0 ?
C15 C16 H16 . . 120.0 ?
C18 C17 C16 . . 121.7(6) ?
C18 C17 H17 . . 119.1 ?
C16 C17 H17 . . 119.1 ?
C17 C18 C19 . . 118.1(6) ?
C17 C18 C21 . . 121.2(6) ?
C19 C18 C21 . . 120.6(6) ?
C18 C19 C20 . . 120.4(6) ?
C18 C19 H19 . . 119.8 ?
C20 C19 H19 . . 119.8 ?
C15 C20 C19 . . 121.2(6) ?
C15 C20 H20 . . 119.4 ?
C19 C20 H20 . . 119.4 ?
C18 C21 H21A . . 109.5 ?
C18 C21 H21B . . 109.5 ?
H21A C21 H21B . . 109.5 ?
C18 C21 H21C . . 109.5 ?
H21A C21 H21C . . 109.5 ?
H21B C21 H21C . . 109.5 ?
C23 C22 C27 . . 118.2(6) ?
C23 C22 Sb2 . . 124.7(5) ?
C27 C22 Sb2 . . 117.0(5) ?
C24 C23 C22 . . 120.5(7) ?
C24 C23 H23 . . 119.7 ?
C22 C23 H23 . . 119.7 ?
C23 C24 C25 . . 121.5(7) ?
C23 C24 H24 . . 119.3 ?
C25 C24 H24 . . 119.3 ?
C26 C25 C24 . . 117.9(6) ?
C26 C25 C28 . . 120.7(7) ?
C24 C25 C28 . . 121.4(7) ?
C27 C26 C25 . . 121.0(7) ?
C27 C26 H26 . . 119.5 ?
C25 C26 H26 . . 119.5 ?
C26 C27 C22 . . 120.8(7) ?
C26 C27 H27 . . 119.6 ?
C22 C27 H27 . . 119.6 ?
C25 C28 H28A . . 109.5 ?
C25 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C25 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C34 C29 C30 . . 117.8(6) ?
C34 C29 Sb2 . . 122.0(5) ?
C30 C29 Sb2 . . 120.2(5) ?
C31 C30 C29 . . 120.8(6) ?
C31 C30 H30 . . 119.6 ?
C29 C30 H30 . . 119.6 ?
C32 C31 C30 . . 120.9(7) ?
C32 C31 H31 . . 119.5 ?
C30 C31 H31 . . 119.5 ?
C33 C32 C31 . . 118.1(7) ?
C33 C32 C35 . . 121.0(7) ?
C31 C32 C35 . . 120.8(7) ?
C32 C33 C34 . . 121.8(7) ?
C32 C33 H33 . . 119.1 ?
C34 C33 H33 . . 119.1 ?
C29 C34 C33 . . 120.6(7) ?
C29 C34 H34 . . 119.7 ?
C33 C34 H34 . . 119.7 ?
C32 C35 H35A . . 109.5 ?
C32 C35 H35B . . 109.5 ?
H35A C35 H35B . . 109.5 ?
C32 C35 H35C . . 109.5 ?
H35A C35 H35C . . 109.5 ?
H35B C35 H35C . . 109.5 ?
C37 C36 C41 . . 118.2(6) ?
C37 C36 Sb3 . . 122.2(4) ?
C41 C36 Sb3 . . 119.4(5) ?
C36 C37 C38 . . 121.1(6) ?
C36 C37 H37 . . 119.5 ?
C38 C37 H37 . . 119.5 ?
C39 C38 C37 . . 121.1(7) ?
C39 C38 H38 . . 119.5 ?
C37 C38 H38 . . 119.5 ?
C38 C39 C40 . . 117.8(6) ?
C38 C39 C42 . . 121.2(7) ?
C40 C39 C42 . . 121.0(6) ?
C39 C40 C41 . . 121.5(6) ?
C39 C40 H40 . . 119.3 ?
C41 C40 H40 . . 119.3 ?
C36 C41 C40 . . 120.3(7) ?
C36 C41 H41 . . 119.9 ?
C40 C41 H41 . . 119.9 ?
C39 C42 H42A . . 109.5 ?
C39 C42 H42B . . 109.5 ?
H42A C42 H42B . . 109.5 ?
C39 C42 H42C . . 109.5 ?
H42A C42 H42C . . 109.5 ?
H42B C42 H42C . . 109.5 ?
C44 C43 C48 . . 115.9(7) ?
C44 C43 Sb3 . . 125.7(6) ?
C48 C43 Sb3 . . 118.4(5) ?
C45 C44 C43 . . 121.7(7) ?
C45 C44 H44 . . 119.2 ?
C43 C44 H44 . . 119.2 ?
C44 C45 C46 . . 121.4(7) ?
C44 C45 H45 . . 119.3 ?
C46 C45 H45 . . 119.3 ?
C47 C46 C45 . . 117.3(7) ?
C47 C46 C49 . . 119.8(8) ?
C45 C46 C49 . . 122.8(8) ?
C48 C47 C46 . . 121.4(7) ?
C48 C47 H47 . . 119.3 ?
C46 C47 H47 . . 119.3 ?
C47 C48 C43 . . 122.3(7) ?
C47 C48 H48 . . 118.9 ?
C43 C48 H48 . . 118.9 ?
C46 C49 H49A . . 109.5 ?
C46 C49 H49B . . 109.5 ?
H49A C49 H49B . . 109.5 ?
C46 C49 H49C . . 109.5 ?
H49A C49 H49C . . 109.5 ?
H49B C49 H49C . . 109.5 ?
C55 C50 C51 . . 119.5(6) ?
C55 C50 Sb3 . . 121.7(5) ?
C51 C50 Sb3 . . 118.8(5) ?
C52 C51 C50 . . 120.3(7) ?
C52 C51 H51 . . 119.9 ?
C50 C51 H51 . . 119.9 ?
C53 C52 C51 . . 121.4(7) ?
C53 C52 H52 . . 119.3 ?
C51 C52 H52 . . 119.3 ?
C52 C53 C54 . . 119.4(6) ?
C52 C53 C56 . . 121.2(7) ?
C54 C53 C56 . . 119.4(7) ?
C53 C54 C55 . . 119.8(7) ?
C53 C54 H54 . . 120.1 ?
C55 C54 H54 . . 120.1 ?
C50 C55 C54 . . 119.6(7) ?
C50 C55 H55 . . 120.2 ?
C54 C55 H55 . . 120.2 ?
C53 C56 H56A . . 109.5 ?
C53 C56 H56B . . 109.5 ?
H56A C56 H56B . . 109.5 ?
C53 C56 H56C . . 109.5 ?
H56A C56 H56C . . 109.5 ?
H56B C56 H56C . . 109.5 ?
C62 C57 C58 . . 119.0(6) ?
C62 C57 Sb4 . . 122.1(5) ?
C58 C57 Sb4 . . 118.9(4) ?
C59 C58 C57 . . 121.0(6) ?
C59 C58 H58 . . 119.5 ?
C57 C58 H58 . . 119.5 ?
C58 C59 C60 . . 120.7(7) ?
C58 C59 H59 . . 119.7 ?
C60 C59 H59 . . 119.7 ?
C61 C60 C59 . . 118.2(7) ?
C61 C60 C63 . . 121.3(7) ?
C59 C60 C63 . . 120.5(7) ?
C60 C61 C62 . . 121.5(6) ?
C60 C61 H61 . . 119.2 ?
C62 C61 H61 . . 119.2 ?
C57 C62 C61 . . 119.6(7) ?
C57 C62 H62 . . 120.2 ?
C61 C62 H62 . . 120.2 ?
C60 C63 H63A . . 109.5 ?
C60 C63 H63B . . 109.5 ?
H63A C63 H63B . . 109.5 ?
C60 C63 H63C . . 109.5 ?
H63A C63 H63C . . 109.5 ?
H63B C63 H63C . . 109.5 ?
C65 C64 C69 . . 119.2(6) ?
C65 C64 Sb4 . . 119.9(5) ?
C69 C64 Sb4 . . 120.8(5) ?
C64 C65 C66 . . 119.9(6) ?
C64 C65 H65 . . 120.1 ?
C66 C65 H65 . . 120.1 ?
C67 C66 C65 . . 121.5(7) ?
C67 C66 H66 . . 119.2 ?
C65 C66 H66 . . 119.2 ?
C68 C67 C66 . . 118.2(6) ?
C68 C67 C70 . . 120.6(7) ?
C66 C67 C70 . . 121.2(7) ?
C67 C68 C69 . . 121.7(7) ?
C67 C68 H68 . . 119.1 ?
C69 C68 H68 . . 119.1 ?
C64 C69 C68 . . 119.4(6) ?
C64 C69 H69 . . 120.3 ?
C68 C69 H69 . . 120.3 ?
C67 C70 H70A . . 109.5 ?
C67 C70 H70B . . 109.5 ?
H70A C70 H70B . . 109.5 ?
C67 C70 H70C . . 109.5 ?
H70A C70 H70C . . 109.5 ?
H70B C70 H70C . . 109.5 ?
C76 C71 C72 . . 118.9(6) ?
C76 C71 Sb4 . . 119.9(5) ?
C72 C71 Sb4 . . 121.1(5) ?
C71 C72 C73 . . 119.2(7) ?
C71 C72 H72 . . 120.4 ?
C73 C72 H72 . . 120.4 ?
C74 C73 C72 . . 121.8(7) ?
C74 C73 H73 . . 119.1 ?
C72 C73 H73 . . 119.1 ?
C75 C74 C73 . . 118.3(7) ?
C75 C74 C77 . . 120.7(7) ?
C73 C74 C77 . . 121.0(7) ?
C74 C75 C76 . . 121.0(7) ?
C74 C75 H75 . . 119.5 ?
C76 C75 H75 . . 119.5 ?
C75 C76 C71 . . 120.6(6) ?
C75 C76 H76 . . 119.7 ?
C71 C76 H76 . . 119.7 ?
C74 C77 H77A . . 109.5 ?
C74 C77 H77B . . 109.5 ?
H77A C77 H77B . . 109.5 ?
C74 C77 H77C . . 109.5 ?
H77A C77 H77C . . 109.5 ?
H77B C77 H77C . . 109.5 ?
C8 Sb1 C1 . . 104.8(3) ?
C8 Sb1 Cl1 . . 87.86(18) ?
C1 Sb1 Cl1 . . 88.18(19) ?
C8 Sb1 Cl2 . . 86.80(18) ?
C1 Sb1 Cl2 . . 89.26(19) ?
Cl1 Sb1 Cl2 . . 173.29(6) ?
C8 Sb1 Au1 . . 124.84(17) ?
C1 Sb1 Au1 . . 130.37(19) ?
Cl1 Sb1 Au1 . . 91.64(4) ?
Cl2 Sb1 Au1 . . 94.74(4) ?
C29 Sb2 C22 . . 101.6(3) ?
C29 Sb2 C15 . . 99.0(2) ?
C22 Sb2 C15 . . 101.1(2) ?
C29 Sb2 Au1 . . 120.54(15) ?
C22 Sb2 Au1 . . 114.15(17) ?
C15 Sb2 Au1 . . 117.36(17) ?
C36 Sb3 C43 . . 102.5(3) ?
C36 Sb3 C50 . . 99.2(2) ?
C43 Sb3 C50 . . 97.2(3) ?
C36 Sb3 Au1 . . 115.15(17) ?
C43 Sb3 Au1 . . 108.65(18) ?
C50 Sb3 Au1 . . 130.01(19) ?
C64 Sb4 C57 . . 100.3(2) ?
C64 Sb4 C71 . . 99.6(2) ?
C57 Sb4 C71 . . 98.8(2) ?
C64 Sb4 Au1 . . 113.45(17) ?
C57 Sb4 Au1 . . 115.72(16) ?
C71 Sb4 Au1 . . 125.05(15) ?

