#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:21:22 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263693 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/99/1559955.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1559955
loop_
_publ_author_name
'Liu, Xu'
'Yao, Guo'
'Cheng, Xinglian'
'Xu, Jiayu'
'Cai, Xiao'
'Hu, Weigang'
'Xu, Wen Wu'
'Zhang, Chunfeng'
'Zhu, Yan'
_publ_section_title
;
 Cd-driven surface reconstruction and photodynamics in gold nanoclusters
;
_journal_issue                   9
_journal_name_full               'Chemical Science'
_journal_page_first              3290
_journal_page_last               3294
_journal_paper_doi               10.1039/D0SC05163B
_journal_volume                  12
_journal_year                    2021
_chemical_formula_sum            'C224 H252 Au44 S28'
_chemical_formula_weight         12508.45
_space_group_crystal_system      trigonal
_space_group_IT_number           167
_space_group_name_Hall           '-R 3 2"c'
_space_group_name_H-M_alt        'R -3 c :H'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-08-08 deposited with the CCDC.	2021-01-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            18
_cell_length_a                   45.692(2)
_cell_length_b                   45.692(2)
_cell_length_c                   77.435(4)
_cell_measurement_reflns_used    9330
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      26.07
_cell_measurement_theta_min      2.26
_cell_volume                     140007(11)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1146
_diffrn_reflns_av_unetI/netI     0.0547
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       59
_diffrn_reflns_limit_h_min       -59
_diffrn_reflns_limit_k_max       52
_diffrn_reflns_limit_k_min       -59
_diffrn_reflns_limit_l_max       100
_diffrn_reflns_limit_l_min       -96
_diffrn_reflns_number            432161
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.481
_diffrn_reflns_theta_min         1.929
_exptl_absorpt_coefficient_mu    20.874
_exptl_absorpt_correction_T_max  0.2616
_exptl_absorpt_correction_T_min  0.0856
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.670
_exptl_crystal_description       block
_exptl_crystal_F_000             99360
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.090
_refine_diff_density_max         3.424
_refine_diff_density_min         -2.632
_refine_diff_density_rms         0.282
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1351
_refine_ls_number_reflns         35644
_refine_ls_number_restraints     1789
_refine_ls_restrained_S_all      0.995
_refine_ls_R_factor_all          0.0923
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0744P)²+5929.5830P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1309
_refine_ls_wR_factor_ref         0.1596
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23024
_reflns_number_total             35644
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0sc05163b2.cif
_cod_data_source_block           11_a_sq
_cod_depositor_comments
'Adding full bibliography for 1559955--1559956.cif.'
_cod_original_cell_volume        140008(14)
_cod_database_code               1559955
_shelx_shelxl_version_number     2018/3
_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.
;
_shelx_estimated_absorpt_t_min   0.188
_shelx_estimated_absorpt_t_max   0.255
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -x+y, -z+1/2'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'y+2/3, x+1/3, -z+5/6'
'x-y+2/3, -y+1/3, -z+5/6'
'-x+2/3, -x+y+1/3, -z+5/6'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'y+1/3, x+2/3, -z+7/6'
'x-y+1/3, -y+2/3, -z+7/6'
'-x+1/3, -x+y+2/3, -z+7/6'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'-x+y, y, z-1/2'
'x, x-y, z-1/2'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z-1/6'
'-x+y+2/3, y+1/3, z-1/6'
'x+2/3, x-y+1/3, z-1/6'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+1/6'
'-x+y+1/3, y+2/3, z+1/6'
'x+1/3, x-y+2/3, z+1/6'
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 0.55669(2) 0.66904(2) 0.62333(2) 0.05037(14) Uani 1 1 d . . . . .
Au2 Au 0.61538(2) 0.71809(2) 0.60104(2) 0.04136(12) Uani 1 1 d . . . . .
Au3 Au 0.55256(2) 0.73658(2) 0.58115(2) 0.05589(16) Uani 1 1 d . . . . .
Au4 Au 0.666667 0.78416(2) 0.583333 0.04820(19) Uani 1 2 d S T P . .
Au5 Au 0.666667 0.71454(2) 0.583333 0.03733(15) Uani 1 2 d S T P . .
Au6 Au 0.66465(2) 0.71380(2) 0.61903(2) 0.04180(12) Uani 1 1 d . . . . .
Au7 Au 0.61498(2) 0.65269(2) 0.64584(2) 0.05340(15) Uani 1 1 d . . . . .
Au8 Au 0.67328(2) 0.65335(2) 0.61939(2) 0.04479(13) Uani 1 1 d . . . . .
Au9 Au 0.666667 0.65174(2) 0.583333 0.04112(17) Uani 1 2 d S T P . .
Au10 Au 0.72208(2) 0.70584(2) 0.64331(2) 0.04994(14) Uani 1 1 d . . . . .
Au11 Au 0.72107(2) 0.70979(2) 0.60204(2) 0.04069(12) Uani 1 1 d . . . . .
Au12 Au 0.71926(2) 0.70985(2) 0.56377(2) 0.04027(12) Uani 1 1 d . . . . .
Au13 Au 0.76979(2) 0.76070(2) 0.62158(2) 0.04704(14) Uani 1 1 d . . . . .
Au14 Au 0.77141(2) 0.76760(2) 0.58656(2) 0.04516(13) Uani 1 1 d . . . . .
Au15 Au 0.80775(2) 0.83578(2) 0.62532(2) 0.0700(2) Uani 1 1 d . . . . .
Au16 Au 0.76948(2) 0.71164(2) 0.54382(2) 0.04735(14) Uani 1 1 d . . . . .
Au17 Au 0.71965(2) 0.64875(2) 0.59907(2) 0.04891(14) Uani 1 1 d . . . . .
Au18 Au 0.72713(2) 0.65247(2) 0.56162(2) 0.04991(14) Uani 1 1 d . . . . .
Au19 Au 0.666667 0.58501(2) 0.583333 0.0679(3) Uani 1 2 d S T P . .
Au20 Au 0.77408(2) 0.70740(2) 0.57842(2) 0.04779(14) Uani 1 1 d . . . . .
Au21 Au 0.78094(2) 0.63593(2) 0.57591(2) 0.06369(18) Uani 1 1 d . . . . .
Au22 Au 0.81175(2) 0.68208(2) 0.53837(2) 0.06430(18) Uani 1 1 d . . . . .
Au23 Au 0.78917(2) 0.70875(2) 0.61914(2) 0.05366(15) Uani 1 1 d . . . . .
Au24 Au 0.72382(2) 0.77299(2) 0.60489(2) 0.04374(13) Uani 1 1 d . . . . .
C1 C 0.4633(4) 0.6141(5) 0.5863(2) 0.068(3) Uani 1 1 d . U . . .
H1 H 0.472018 0.625383 0.575612 0.081 Uiso 1 1 calc R U . . .
C2 C 0.4310(5) 0.5875(5) 0.5870(2) 0.070(3) Uani 1 1 d . U . . .
C3 C 0.4175(5) 0.5731(5) 0.6029(2) 0.070(3) Uani 1 1 d . U . . .
H3 H 0.394428 0.555884 0.603490 0.084 Uiso 1 1 calc R U . . .
C4 C 0.4360(5) 0.5829(5) 0.6174(2) 0.069(3) Uani 1 1 d . U . . .
C5 C 0.4697(4) 0.6089(5) 0.6169(2) 0.065(3) Uani 1 1 d . U . . .
H5 H 0.483203 0.615644 0.627010 0.078 Uiso 1 1 calc R U . . .
C6 C 0.4834(4) 0.6249(4) 0.6007(2) 0.061(3) Uani 1 1 d . U . . .
C7 C 0.4104(6) 0.5767(6) 0.5709(3) 0.106(6) Uani 1 1 d . U . . .
H7A H 0.397006 0.588038 0.570139 0.159 Uiso 1 1 calc R U . . .
H7B H 0.395154 0.552165 0.571128 0.159 Uiso 1 1 calc R U . . .
H7C H 0.425342 0.582776 0.560866 0.159 Uiso 1 1 calc R U . . .
C8 C 0.4216(5) 0.5667(5) 0.6347(2) 0.082(5) Uani 1 1 d . U . . .
H8A H 0.405478 0.542577 0.633047 0.122 Uiso 1 1 calc R U . . .
H8B H 0.410062 0.577629 0.639973 0.122 Uiso 1 1 calc R U . . .
H8C H 0.439966 0.569324 0.642271 0.122 Uiso 1 1 calc R U . . .
C9 C 0.5706(5) 0.7482(5) 0.6226(2) 0.063(3) Uani 1 1 d . U . . .
C10 C 0.5367(5) 0.7363(4) 0.6234(2) 0.064(3) Uani 1 1 d . U . . .
H10 H 0.523895 0.731153 0.613072 0.077 Uiso 1 1 calc R U . . .
C11 C 0.5205(5) 0.7317(5) 0.6397(2) 0.071(3) Uani 1 1 d . U . . .
C12 C 0.5391(5) 0.7402(5) 0.6544(2) 0.071(3) Uani 1 1 d . U . . .
H12 H 0.528578 0.737300 0.665301 0.086 Uiso 1 1 calc R U . . .
C13 C 0.5743(5) 0.7534(5) 0.6533(2) 0.069(3) Uani 1 1 d . U . . .
C14 C 0.5886(5) 0.7562(5) 0.6378(2) 0.066(3) Uani 1 1 d . U . . .
H14 H 0.612209 0.764138 0.637354 0.079 Uiso 1 1 calc R U . . .
C15 C 0.4831(5) 0.7181(6) 0.6405(3) 0.093(5) Uani 1 1 d . U . . .
H15A H 0.471779 0.694239 0.643983 0.139 Uiso 1 1 calc R U . . .
H15B H 0.474949 0.720059 0.629152 0.139 Uiso 1 1 calc R U . . .
H15C H 0.478242 0.730979 0.649010 0.139 Uiso 1 1 calc R U . . .
C16 C 0.5949(5) 0.7615(5) 0.6702(2) 0.077(4) Uani 1 1 d . U . . .
H16A H 0.617665 0.765629 0.667536 0.116 Uiso 1 1 calc R U . . .
H16B H 0.583702 0.742334 0.678120 0.116 Uiso 1 1 calc R U . . .
H16C H 0.596529 0.781672 0.675530 0.116 Uiso 1 1 calc R U . . .
C17 C 0.5619(6) 0.6712(6) 0.6662(3) 0.083(4) Uani 1 1 d . U . . .
C18 C 0.5294(6) 0.6627(6) 0.6650(3) 0.087(4) Uani 1 1 d . U . . .
H18 H 0.519742 0.661708 0.654034 0.105 Uiso 1 1 calc R U . . .
C19 C 0.5097(6) 0.6553(6) 0.6797(3) 0.090(4) Uani 1 1 d . U . . .
C20 C 0.5245(6) 0.6569(6) 0.6954(3) 0.092(4) Uani 1 1 d . U . . .
H20 H 0.511715 0.654060 0.705548 0.110 Uiso 1 1 calc R U . . .
C21 C 0.5575(6) 0.6626(6) 0.6972(3) 0.089(4) Uani 1 1 d . U . . .
C22 C 0.5764(6) 0.6691(5) 0.6824(3) 0.087(4) Uani 1 1 d . U . . .
H22 H 0.598527 0.672075 0.682792 0.104 Uiso 1 1 calc R U . . .
C23 C 0.4735(6) 0.6467(7) 0.6778(3) 0.113(6) Uani 1 1 d . U . . .
H23A H 0.459805 0.623316 0.673812 0.170 Uiso 1 1 calc R U . . .
H23B H 0.472042 0.661978 0.669423 0.170 Uiso 1 1 calc R U . . .
H23C H 0.464992 0.649187 0.689025 0.170 Uiso 1 1 calc R U . . .
C24 C 0.5727(6) 0.6608(6) 0.7140(3) 0.098(6) Uani 1 1 d . U . . .
H24A H 0.596337 0.678982 0.714509 0.147 Uiso 1 1 calc R U . . .
H24B H 0.571594 0.638919 0.715000 0.147 Uiso 1 1 calc R U . . .
H24C H 0.560108 0.663457 0.723566 0.147 Uiso 1 1 calc R U . . .
C25 C 0.6676(7) 0.6325(6) 0.6639(3) 0.104(4) Uani 1 1 d . U . . .
C26 C 0.6603(7) 0.6455(6) 0.6784(3) 0.110(4) Uani 1 1 d . U . . .
H26 H 0.643596 0.651899 0.677310 0.133 Uiso 1 1 calc R U . . .
C27 C 0.6754(7) 0.6496(7) 0.6940(4) 0.114(4) Uani 1 1 d . U . . .
C28 C 0.7025(7) 0.6434(7) 0.6938(4) 0.118(5) Uani 1 1 d . U . . .
H28 H 0.716770 0.649697 0.703706 0.141 Uiso 1 1 calc R U . . .
C29 C 0.7098(7) 0.6283(7) 0.6797(4) 0.112(4) Uani 1 1 d . U . . .
C30 C 0.6926(7) 0.6237(6) 0.6644(3) 0.110(4) Uani 1 1 d . U . . .
H30 H 0.697633 0.614765 0.654551 0.131 Uiso 1 1 calc R U . . .
C31 C 0.6621(8) 0.6583(7) 0.7104(4) 0.134(7) Uani 1 1 d . U . . .
H31A H 0.675586 0.682597 0.712609 0.201 Uiso 1 1 calc R U . . .
H31B H 0.663948 0.645821 0.720229 0.201 Uiso 1 1 calc R U . . .
H31C H 0.638404 0.651919 0.708708 0.201 Uiso 1 1 calc R U . . .
C32 C 0.7372(7) 0.6215(7) 0.6812(4) 0.139(7) Uani 1 1 d . U . . .
H32A H 0.737487 0.608951 0.670997 0.208 Uiso 1 1 calc R U . . .
H32B H 0.734152 0.608089 0.691588 0.208 Uiso 1 1 calc R U . . .
H32C H 0.758629 0.642916 0.681944 0.208 Uiso 1 1 calc R U . . .
C33 C 0.7322(5) 0.7787(5) 0.6660(2) 0.068(3) Uani 1 1 d . U . . .
H33 H 0.743632 0.766399 0.667993 0.082 Uiso 1 1 calc R U . . .
C34 C 0.7439(5) 0.8104(5) 0.6733(2) 0.068(3) Uani 1 1 d . U . . .
C35 C 0.7283(5) 0.8282(5) 0.6705(2) 0.072(3) Uani 1 1 d . U . . .
H35 H 0.737631 0.850204 0.675241 0.087 Uiso 1 1 calc R U . . .
C36 C 0.6981(5) 0.8149(5) 0.6605(2) 0.066(3) Uani 1 1 d . U . . .
C37 C 0.6865(5) 0.7834(4) 0.6529(2) 0.064(3) Uani 1 1 d . U . . .
H37 H 0.666835 0.774032 0.645880 0.077 Uiso 1 1 calc R U . . .
C38 C 0.7034(4) 0.7653(4) 0.6557(2) 0.061(3) Uani 1 1 d . U . . .
C39 C 0.7746(5) 0.8242(6) 0.6843(3) 0.094(6) Uani 1 1 d . U . . .
H39A H 0.772016 0.836133 0.694184 0.141 Uiso 1 1 calc R U . . .
H39B H 0.794392 0.839962 0.677525 0.141 Uiso 1 1 calc R U . . .
H39C H 0.777645 0.805649 0.688461 0.141 Uiso 1 1 calc R U . . .
C40 C 0.6813(5) 0.8359(5) 0.6572(3) 0.086(5) Uani 1 1 d . U . . .
H40A H 0.675749 0.835015 0.644931 0.129 Uiso 1 1 calc R U . . .
H40B H 0.696731 0.859436 0.660570 0.129 Uiso 1 1 calc R U . . .
H40C H 0.660525 0.826902 0.664075 0.129 Uiso 1 1 calc R U . . .
C41 C 0.7861(7) 0.7057(8) 0.6615(3) 0.112(5) Uani 1 1 d . U . . .
C42 C 0.7745(7) 0.7175(7) 0.6751(3) 0.113(4) Uani 1 1 d . U . . .
H42 H 0.752986 0.715869 0.674332 0.136 Uiso 1 1 calc R U . . .
C43 C 0.7945(7) 0.7316(8) 0.6898(3) 0.119(5) Uani 1 1 d . U . . .
C44 C 0.8250(7) 0.7324(8) 0.6898(3) 0.125(5) Uani 1 1 d . U . . .
H44 H 0.840527 0.744289 0.698862 0.150 Uiso 1 1 calc R U . . .
C45 C 0.8342(7) 0.7163(8) 0.6772(3) 0.124(5) Uani 1 1 d . U . . .
C46 C 0.8151(7) 0.7065(8) 0.6633(3) 0.122(5) Uani 1 1 d . U . . .
H46 H 0.822897 0.699401 0.653712 0.146 Uiso 1 1 calc R U . . .
C47 C 0.7799(8) 0.7443(8) 0.7047(3) 0.134(7) Uani 1 1 d . U . . .
H47A H 0.781869 0.765912 0.701403 0.200 Uiso 1 1 calc R U . . .
H47B H 0.792795 0.747364 0.715375 0.200 Uiso 1 1 calc R U . . .
H47C H 0.756114 0.727574 0.706712 0.200 Uiso 1 1 calc R U . . .
C48 C 0.8695(8) 0.7199(9) 0.6795(4) 0.151(8) Uani 1 1 d . U . . .
H48A H 0.866899 0.698692 0.684060 0.227 Uiso 1 1 calc R U . . .
H48B H 0.882817 0.738275 0.687630 0.227 Uiso 1 1 calc R U . . .
H48C H 0.881046 0.724917 0.668339 0.227 Uiso 1 1 calc R U . . .
C49 C 0.8449(6) 0.8041(6) 0.6464(3) 0.130(5) Uani 1 1 d . U . . .
C50 C 0.8661(6) 0.8284(5) 0.6575(3) 0.140(5) Uani 1 1 d . U . . .
H50 H 0.858102 0.841431 0.663209 0.168 Uiso 1 1 calc R U . . .
C51 C 0.8975(6) 0.8351(5) 0.6608(2) 0.139(5) Uani 1 1 d D U . . .
C52 C 0.9081(6) 0.8168(6) 0.6527(3) 0.140(5) Uani 1 1 d . U . . .
H52 H 0.930458 0.821365 0.654892 0.169 Uiso 1 1 calc R U . . .
C53 C 0.8890(6) 0.7918(6) 0.6414(3) 0.138(5) Uani 1 1 d . U . . .
C54 C 0.8558(6) 0.7857(6) 0.6383(3) 0.136(5) Uani 1 1 d . U . . .
H54 H 0.841342 0.768457 0.630466 0.163 Uiso 1 1 calc R U . . .
C55 C 0.9168(7) 0.8630(6) 0.6735(3) 0.174(8) Uani 1 1 d D U . . .
H55A H 0.913201 0.853551 0.685208 0.261 Uiso 1 1 calc R U . . .
H55B H 0.908820 0.879308 0.672955 0.261 Uiso 1 1 calc R U . . .
H55C H 0.940932 0.874406 0.670742 0.261 Uiso 1 1 calc R U . . .
C56 C 0.8998(6) 0.7690(7) 0.6314(4) 0.152(7) Uani 1 1 d . U . . .
H56A H 0.924561 0.780063 0.631145 0.227 Uiso 1 1 calc R U . . .
H56B H 0.891228 0.765638 0.619517 0.227 Uiso 1 1 calc R U . . .
H56C H 0.890537 0.747118 0.637180 0.227 Uiso 1 1 calc R U . . .
C57 C 0.8603(3) 0.8906(5) 0.6011(2) 0.147(5) Uani 1 1 d DG U . . .
C58 C 0.8855(5) 0.9030(5) 0.61359(17) 0.155(6) Uani 1 1 d DG U . . .
H58 H 0.879882 0.902742 0.625418 0.186 Uiso 1 1 calc R U . . .
C59 C 0.9191(4) 0.9158(4) 0.6088(2) 0.155(6) Uani 1 1 d DG U . . .
C60 C 0.9273(3) 0.9161(4) 0.5915(2) 0.151(5) Uani 1 1 d DG U . . .
H60 H 0.950238 0.924885 0.588165 0.182 Uiso 1 1 calc R U . . .
C61 C 0.9021(4) 0.9037(4) 0.57899(17) 0.143(5) Uani 1 1 d DG U . . .
C62 C 0.8686(4) 0.8909(5) 0.5838(2) 0.141(5) Uani 1 1 d DG U . . .
H62 H 0.851297 0.882436 0.575282 0.169 Uiso 1 1 calc R U . . .
C63 C 0.9436(7) 0.9283(7) 0.6236(3) 0.192(9) Uani 1 1 d D U . . .
H63A H 0.950587 0.951951 0.626010 0.288 Uiso 1 1 calc R U . . .
H63B H 0.963505 0.926512 0.620600 0.288 Uiso 1 1 calc R U . . .
H63C H 0.932757 0.914562 0.633871 0.288 Uiso 1 1 calc R U . . .
C64 C 0.9132(6) 0.9050(6) 0.5607(2) 0.137(7) Uani 1 1 d D U . . .
H64A H 0.894336 0.888047 0.553828 0.206 Uiso 1 1 calc R U . . .
H64B H 0.931966 0.900357 0.560356 0.206 Uiso 1 1 calc R U . . .
H64C H 0.920751 0.927542 0.555901 0.206 Uiso 1 1 calc R U . . .
C65 C 0.7170(5) 0.8432(4) 0.6117(2) 0.066(3) Uani 1 1 d . U . . .
C66 C 0.7416(4) 0.8560(4) 0.6247(2) 0.068(3) Uani 1 1 d . U . . .
H66 H 0.745232 0.841178 0.631750 0.081 Uiso 1 1 calc R U . . .
C67 C 0.7606(5) 0.8909(5) 0.6271(3) 0.074(3) Uani 1 1 d . U . . .
C68 C 0.7536(5) 0.9116(5) 0.6157(3) 0.076(3) Uani 1 1 d . U . . .
H68 H 0.767028 0.935456 0.616929 0.091 Uiso 1 1 calc R U . . .
C69 C 0.7289(5) 0.8994(5) 0.6032(3) 0.073(3) Uani 1 1 d . U . . .
C70 C 0.7107(5) 0.8639(4) 0.6004(3) 0.070(3) Uani 1 1 d . U . . .
H70 H 0.694801 0.854264 0.591259 0.084 Uiso 1 1 calc R U . . .
C71 C 0.7841(5) 0.9052(5) 0.6414(3) 0.092(6) Uani 1 1 d . U . . .
H71A H 0.772969 0.909498 0.651118 0.139 Uiso 1 1 calc R U . . .
H71B H 0.803805 0.926494 0.637778 0.139 Uiso 1 1 calc R U . . .
H71C H 0.791424 0.889313 0.645037 0.139 Uiso 1 1 calc R U . . .
C72 C 0.7226(5) 0.9225(5) 0.5922(3) 0.087(5) Uani 1 1 d . U . . .
H72A H 0.743346 0.938002 0.585973 0.130 Uiso 1 1 calc R U . . .
H72B H 0.715660 0.935410 0.599496 0.130 Uiso 1 1 calc R U . . .
H72C H 0.704658 0.909111 0.583847 0.130 Uiso 1 1 calc R U . . .
C73 C 0.7685(7) 0.5786(7) 0.6074(5) 0.144(6) Uani 1 1 d . U . . .
H73 H 0.785584 0.587672 0.598808 0.173 Uiso 1 1 calc R U . . .
C74 C 0.7612(8) 0.5501(8) 0.6170(5) 0.145(6) Uani 1 1 d . U . . .
C75 C 0.7349(8) 0.5349(8) 0.6272(5) 0.150(6) Uani 1 1 d . U . . .
H75 H 0.728987 0.513453 0.631850 0.180 Uiso 1 1 calc R U . . .
C76 C 0.7155(8) 0.5495(8) 0.6313(5) 0.150(6) Uani 1 1 d . U . . .
C77 C 0.7234(7) 0.5801(7) 0.6234(5) 0.145(6) Uani 1 1 d . U . . .
H77 H 0.711232 0.591183 0.626350 0.174 Uiso 1 1 calc R U . . .
C78 C 0.7478(8) 0.5935(7) 0.6116(5) 0.143(6) Uani 1 1 d . U . . .
C79 C 0.7826(8) 0.5331(8) 0.6138(5) 0.162(8) Uani 1 1 d . U . . .
H79A H 0.784026 0.522389 0.624451 0.243 Uiso 1 1 calc R U . . .
H79B H 0.805370 0.550243 0.610121 0.243 Uiso 1 1 calc R U . . .
H79C H 0.772020 0.515999 0.604717 0.243 Uiso 1 1 calc R U . . .
C80 C 0.6877(7) 0.5339(8) 0.6452(5) 0.166(8) Uani 1 1 d . U . . .
H80A H 0.693113 0.520831 0.653380 0.250 Uiso 1 1 calc R U . . .
H80B H 0.665960 0.518899 0.639691 0.250 Uiso 1 1 calc R U . . .
H80C H 0.686456 0.551887 0.651411 0.250 Uiso 1 1 calc R U . . .
C81 C 0.8663(4) 0.7304(5) 0.5746(2) 0.064(3) Uani 1 1 d . U . . .
H81 H 0.862871 0.745578 0.567684 0.077 Uiso 1 1 calc R U . . .
C82 C 0.8892(5) 0.7209(5) 0.5694(2) 0.067(3) Uani 1 1 d . U . . .
C83 C 0.8922(4) 0.6976(5) 0.5794(2) 0.065(3) Uani 1 1 d . U . . .
H83 H 0.907556 0.690401 0.575882 0.078 Uiso 1 1 calc R U . . .
C84 C 0.8736(4) 0.6843(5) 0.5944(2) 0.064(3) Uani 1 1 d . U . . .
C85 C 0.8517(4) 0.6952(5) 0.5997(2) 0.065(3) Uani 1 1 d . U . . .
H85 H 0.839152 0.686926 0.610118 0.078 Uiso 1 1 calc R U . . .
C86 C 0.8484(4) 0.7183(4) 0.5897(2) 0.059(3) Uani 1 1 d . U . . .
C87 C 0.9082(5) 0.7349(5) 0.5527(2) 0.077(4) Uani 1 1 d . U . . .
H87A H 0.892092 0.728591 0.543181 0.115 Uiso 1 1 calc R U . . .
H87B H 0.923121 0.725562 0.550662 0.115 Uiso 1 1 calc R U . . .
H87C H 0.921761 0.759551 0.553512 0.115 Uiso 1 1 calc R U . . .
C88 C 0.8765(5) 0.6595(5) 0.6054(3) 0.079(4) Uani 1 1 d . U . . .
H88A H 0.871141 0.639377 0.598606 0.119 Uiso 1 1 calc R U . . .
H88B H 0.860542 0.653123 0.615084 0.119 Uiso 1 1 calc R U . . .
H88C H 0.899538 0.669523 0.609920 0.119 Uiso 1 1 calc R U . . .
C89 C 0.8660(6) 0.6490(6) 0.5414(3) 0.090(4) Uani 1 1 d . U . . .
H89 H 0.864771 0.663922 0.533299 0.107 Uiso 1 1 calc R U . . .
C90 C 0.8955(6) 0.6477(6) 0.5419(3) 0.092(4) Uani 1 1 d . U . . .
C91 C 0.8967(6) 0.6257(6) 0.5534(3) 0.094(4) Uani 1 1 d . U . . .
H91 H 0.916866 0.624686 0.554369 0.112 Uiso 1 1 calc R U . . .
C92 C 0.8683(6) 0.6039(6) 0.5640(3) 0.093(4) Uani 1 1 d . U . . .
C93 C 0.8398(6) 0.6079(6) 0.5627(3) 0.094(4) Uani 1 1 d . U . . .
H93 H 0.820834 0.594485 0.569871 0.113 Uiso 1 1 calc R U . . .
C94 C 0.8383(6) 0.6304(6) 0.5516(3) 0.089(4) Uani 1 1 d . U . . .
C95 C 0.9268(6) 0.6684(6) 0.5313(3) 0.099(5) Uani 1 1 d . U . . .
H95A H 0.929235 0.690597 0.528985 0.148 Uiso 1 1 calc R U . . .
H95B H 0.924963 0.656826 0.520388 0.148 Uiso 1 1 calc R U . . .
H95C H 0.946549 0.671285 0.537730 0.148 Uiso 1 1 calc R U . . .
C96 C 0.8674(7) 0.5789(7) 0.5775(3) 0.116(6) Uani 1 1 d . U . . .
H96A H 0.874755 0.590265 0.588702 0.175 Uiso 1 1 calc R U . . .
H96B H 0.882555 0.570624 0.573928 0.175 Uiso 1 1 calc R U . . .
H96C H 0.844297 0.559763 0.578521 0.175 Uiso 1 1 calc R U . . .
C97 C 0.7090(7) 0.5686(6) 0.5540(3) 0.130(5) Uani 1 1 d D U . . .
C98 C 0.7241(7) 0.5694(6) 0.5386(3) 0.137(5) Uani 1 1 d D U . . .
H98 H 0.725971 0.584507 0.529653 0.164 Uiso 1 1 calc R U . . .
C99 C 0.7363(8) 0.5477(7) 0.5363(3) 0.140(5) Uani 1 1 d D U . . .
C100 C 0.7341(8) 0.5256(7) 0.5490(3) 0.141(5) Uani 1 1 d D U . . .
H100 H 0.741965 0.510202 0.546944 0.169 Uiso 1 1 calc R U . . .
C101 C 0.7202(8) 0.5262(7) 0.5648(3) 0.140(5) Uani 1 1 d D U . . .
C102 C 0.7088(7) 0.5487(6) 0.5674(3) 0.135(5) Uani 1 1 d D U . . .
H102 H 0.700696 0.550454 0.578435 0.162 Uiso 1 1 calc R U . . .
C103 C 0.7483(9) 0.5482(8) 0.5182(5) 0.166(8) Uani 1 1 d . U . . .
H10A H 0.760028 0.535165 0.517697 0.250 Uiso 1 1 calc R U . . .
H10B H 0.763915 0.571597 0.514695 0.250 Uiso 1 1 calc R U . . .
H10C H 0.728923 0.538182 0.510320 0.250 Uiso 1 1 calc R U . . .
C104 C 0.7204(9) 0.5041(8) 0.5794(4) 0.167(8) Uani 1 1 d . U . . .
H10D H 0.732223 0.518232 0.589400 0.251 Uiso 1 1 calc R U . . .
H10E H 0.732117 0.492125 0.575588 0.251 Uiso 1 1 calc R U . . .
H10F H 0.697147 0.487604 0.582605 0.251 Uiso 1 1 calc R U . . .
C105 C 0.8219(5) 0.7331(6) 0.4897(2) 0.078(3) Uani 1 1 d . U . . .
H105 H 0.840561 0.755064 0.491724 0.093 Uiso 1 1 calc R U . . .
C106 C 0.8133(5) 0.7207(6) 0.4726(2) 0.081(3) Uani 1 1 d . U . . .
C107 C 0.7845(5) 0.6879(6) 0.4701(3) 0.083(3) Uani 1 1 d . U . . .
H107 H 0.778462 0.679625 0.458613 0.100 Uiso 1 1 calc R U . . .
C108 C 0.7650(5) 0.6677(6) 0.4836(3) 0.083(3) Uani 1 1 d . U . . .
C109 C 0.7746(5) 0.6806(6) 0.5010(2) 0.079(3) Uani 1 1 d . U . . .
H109 H 0.762112 0.667288 0.510621 0.095 Uiso 1 1 calc R U . . .
C110 C 0.8025(5) 0.7128(6) 0.5036(2) 0.076(3) Uani 1 1 d . U . . .
C111 C 0.8355(6) 0.7432(6) 0.4581(3) 0.097(5) Uani 1 1 d . U . . .
H11A H 0.857533 0.759891 0.462801 0.146 Uiso 1 1 calc R U . . .
H11B H 0.824709 0.754804 0.452747 0.146 Uiso 1 1 calc R U . . .
H11C H 0.838622 0.729363 0.449417 0.146 Uiso 1 1 calc R U . . .
C112 C 0.7369(6) 0.6340(6) 0.4806(3) 0.100(6) Uani 1 1 d . U . . .
H11D H 0.745318 0.619551 0.476130 0.151 Uiso 1 1 calc R U . . .
H11E H 0.721343 0.634989 0.472242 0.151 Uiso 1 1 calc R U . . .
H11F H 0.724896 0.624587 0.491533 0.151 Uiso 1 1 calc R U . . .
S00 S 0.81667(10) 0.72888(12) 0.52450(5) 0.0585(10) Uani 1 1 d . . . . .
S1 S 0.52268(9) 0.66307(10) 0.59994(5) 0.0482(8) Uani 1 1 d . . . . .
S2 S 0.58958(10) 0.68506(11) 0.64801(5) 0.0552(10) Uani 1 1 d . . . . .
S3 S 0.64265(10) 0.62225(10) 0.64455(5) 0.0539(9) Uani 1 1 d . . . . .
S4 S 0.68291(10) 0.72251(10) 0.64844(5) 0.0479(8) Uani 1 1 d . . . . .
S5 S 0.68980(12) 0.59393(11) 0.55604(7) 0.0701(13) Uani 1 1 d . . . . .
S6 S 0.76308(11) 0.63512(11) 0.60362(6) 0.0620(11) Uani 1 1 d . . . . .
S7 S 0.75843(11) 0.68408(12) 0.64369(6) 0.0610(11) Uani 1 1 d . . . . .
S8 S 0.59234(10) 0.75497(10) 0.60263(5) 0.0497(9) Uani 1 1 d . . . . .
S9 S 0.69102(9) 0.79855(9) 0.61042(5) 0.0478(8) Uani 1 1 d . . . . .
S10 S 0.81850(14) 0.87927(13) 0.60744(7) 0.0751(13) Uani 1 1 d . . . . .
S11 S 0.80180(12) 0.79580(13) 0.64502(6) 0.0687(12) Uani 1 1 d . . . . .
S12 S 0.82273(9) 0.73631(10) 0.59577(5) 0.0483(8) Uani 1 1 d . . . . .
S13 S 0.80029(13) 0.63134(14) 0.54923(7) 0.0744(13) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
S2 Au1 S1 167.67(15) . . ?
S2 Au1 Au16 87.00(11) . 18_655 ?
S1 Au1 Au16 105.26(10) . 18_655 ?
S2 Au1 Au2 92.41(10) . . ?
S1 Au1 Au2 86.27(10) . . ?
Au16 Au1 Au2 102.36(2) 18_655 . ?
S2 Au1 Au12 90.24(11) . 18_655 ?
S1 Au1 Au12 98.38(9) . 18_655 ?
Au16 Au1 Au12 51.307(17) 18_655 18_655 ?
Au2 Au1 Au12 51.063(16) . 18_655 ?
S2 Au1 Au14 141.58(11) . 18_655 ?
S1 Au1 Au14 44.38(9) . 18_655 ?
Au16 Au1 Au14 82.12(2) 18_655 18_655 ?
Au2 Au1 Au14 54.814(17) . 18_655 ?
Au12 Au1 Au14 54.615(16) 18_655 18_655 ?
S8 Au2 Au6 133.69(10) . . ?
S8 Au2 Au12 155.79(10) . 18_655 ?
Au6 Au2 Au12 60.300(19) . 18_655 ?
S8 Au2 Au5 138.06(10) . . ?
Au6 Au2 Au5 60.060(17) . . ?
Au12 Au2 Au5 64.01(2) 18_655 . ?
S8 Au2 Au14 99.33(10) . 18_655 ?
Au6 Au2 Au14 125.05(2) . 18_655 ?
Au12 Au2 Au14 64.96(2) 18_655 18_655 ?
Au5 Au2 Au14 92.32(2) . 18_655 ?
S8 Au2 Au1 87.32(10) . . ?
Au6 Au2 Au1 96.45(2) . . ?
Au12 Au2 Au1 70.08(2) 18_655 . ?
Au5 Au2 Au1 134.08(3) . . ?
Au14 Au2 Au1 68.55(2) 18_655 . ?
S8 Au2 Au24 90.74(10) . 18_655 ?
Au6 Au2 Au24 124.53(2) . 18_655 ?
Au12 Au2 Au24 93.49(2) 18_655 18_655 ?
Au5 Au2 Au24 64.544(16) . 18_655 ?
Au14 Au2 Au24 53.514(18) 18_655 18_655 ?
Au1 Au2 Au24 120.84(2) . 18_655 ?
S8 Au2 Au4 73.67(10) . . ?
Au6 Au2 Au4 92.69(2) . . ?
Au12 Au2 Au4 129.56(2) 18_655 . ?
Au5 Au2 Au4 65.60(2) . . ?
Au14 Au2 Au4 119.48(2) 18_655 . ?
Au1 Au2 Au4 160.12(3) . . ?
Au24 Au2 Au4 66.339(16) 18_655 . ?
S8 Au3 S10 170.38(17) . 18_655 ?
S9 Au4 S9 174.97(18) . 18_655 ?
S9 Au4 Au2 84.07(10) . . ?
S9 Au4 Au2 98.99(9) 18_655 . ?
S9 Au4 Au2 98.99(9) . 18_655 ?
S9 Au4 Au2 84.06(10) 18_655 18_655 ?
Au2 Au4 Au2 105.95(3) . 18_655 ?
S9 Au4 Au5 92.52(9) . . ?
S9 Au4 Au5 92.52(9) 18_655 . ?
Au2 Au4 Au5 52.977(16) . . ?
Au2 Au4 Au5 52.977(16) 18_655 . ?
S9 Au4 Au24 139.34(10) . 18_655 ?
S9 Au4 Au24 44.69(9) 18_655 18_655 ?
Au2 Au4 Au24 56.571(17) . 18_655 ?
Au2 Au4 Au24 84.11(2) 18_655 18_655 ?
Au5 Au4 Au24 57.138(15) . 18_655 ?
S9 Au4 Au24 44.69(9) . . ?
S9 Au4 Au24 139.34(10) 18_655 . ?
Au2 Au4 Au24 84.11(2) . . ?
Au2 Au4 Au24 56.574(17) 18_655 . ?
Au5 Au4 Au24 57.140(15) . . ?
Au24 Au4 Au24 114.28(3) 18_655 . ?
Au6 Au5 Au6 179.50(4) . 18_655 ?
Au6 Au5 Au2 59.041(17) . . ?
Au6 Au5 Au2 120.68(2) 18_655 . ?
Au6 Au5 Au2 120.68(2) . 18_655 ?
Au6 Au5 Au2 59.039(17) 18_655 18_655 ?
Au2 Au5 Au2 122.86(3) . 18_655 ?
Au6 Au5 Au9 90.253(18) . . ?
Au6 Au5 Au9 90.247(18) 18_655 . ?
Au2 Au5 Au9 118.575(17) . . ?
Au2 Au5 Au9 118.568(17) 18_655 . ?
Au6 Au5 Au12 57.745(16) . 18_655 ?
Au6 Au5 Au12 122.54(2) 18_655 18_655 ?
Au2 Au5 Au12 57.429(15) . 18_655 ?
Au2 Au5 Au12 178.216(17) 18_655 18_655 ?
Au9 Au5 Au12 61.179(16) . 18_655 ?
Au6 Au5 Au12 122.55(2) . . ?
Au6 Au5 Au12 57.738(16) 18_655 . ?
Au2 Au5 Au12 178.215(17) . . ?
Au2 Au5 Au12 57.416(15) 18_655 . ?
Au9 Au5 Au12 61.185(16) . . ?
Au12 Au5 Au12 122.36(3) 18_655 . ?
Au6 Au5 Au11 62.401(16) . . ?
Au6 Au5 Au11 117.876(19) 18_655 . ?
Au2 Au5 Au11 121.442(16) . . ?
Au2 Au5 Au11 86.989(16) 18_655 . ?
Au9 Au5 Au11 60.633(16) . . ?
Au12 Au5 Au11 91.43(2) 18_655 . ?
Au12 Au5 Au11 60.152(17) . . ?
Au6 Au5 Au11 117.880(19) . 18_655 ?
Au6 Au5 Au11 62.398(16) 18_655 18_655 ?
Au2 Au5 Au11 86.993(15) . 18_655 ?
Au2 Au5 Au11 121.438(16) 18_655 18_655 ?
Au9 Au5 Au11 60.630(16) . 18_655 ?
Au12 Au5 Au11 60.149(17) 18_655 18_655 ?
Au12 Au5 Au11 91.43(2) . 18_655 ?
Au11 Au5 Au11 121.26(3) . 18_655 ?
Au6 Au5 Au24 120.747(19) . 18_655 ?
Au6 Au5 Au24 58.999(16) 18_655 18_655 ?
Au2 Au5 Au24 61.772(17) . 18_655 ?
Au2 Au5 Au24 93.16(2) 18_655 18_655 ?
Au9 Au5 Au24 115.899(15) . 18_655 ?
Au12 Au5 Au24 88.476(15) 18_655 18_655 ?
Au12 Au5 Au24 116.595(15) . 18_655 ?
Au11 Au5 Au24 175.88(2) . 18_655 ?
Au11 Au5 Au24 55.321(14) 18_655 18_655 ?
Au6 Au5 Au24 58.995(16) . . ?
Au6 Au5 Au24 120.750(19) 18_655 . ?
Au2 Au5 Au24 93.16(2) . . ?
Au2 Au5 Au24 61.776(18) 18_655 . ?
Au9 Au5 Au24 115.899(15) . . ?
Au12 Au5 Au24 116.598(15) 18_655 . ?
Au12 Au5 Au24 88.474(15) . . ?
Au11 Au5 Au24 55.319(14) . . ?
Au11 Au5 Au24 175.88(2) 18_655 . ?
Au24 Au5 Au24 128.20(3) 18_655 . ?
Au6 Au5 Au4 89.747(18) . . ?
Au6 Au5 Au4 89.753(18) 18_655 . ?
Au2 Au5 Au4 61.425(17) . . ?
Au2 Au5 Au4 61.432(17) 18_655 . ?
Au9 Au5 Au4 180.0 . . ?
Au12 Au5 Au4 118.821(16) 18_655 . ?
Au12 Au5 Au4 118.815(16) . . ?
Au11 Au5 Au4 119.367(16) . . ?
Au11 Au5 Au4 119.370(16) 18_655 . ?
Au24 Au5 Au4 64.101(15) 18_655 . ?
Au24 Au5 Au4 64.101(15) . . ?
S4 Au6 Au2 134.80(10) . . ?
S4 Au6 Au12 130.33(10) . 18_655 ?
Au2 Au6 Au12 60.163(19) . 18_655 ?
S4 Au6 Au5 160.74(10) . . ?
Au2 Au6 Au5 60.899(18) . . ?
Au12 Au6 Au5 64.259(18) 18_655 . ?
S4 Au6 Au24 96.82(10) . . ?
Au2 Au6 Au24 99.02(2) . . ?
Au12 Au6 Au24 130.73(3) 18_655 . ?
Au5 Au6 Au24 66.658(18) . . ?
S4 Au6 Au8 87.05(10) . . ?
Au2 Au6 Au8 124.48(2) . . ?
Au12 Au6 Au8 64.714(19) 18_655 . ?
Au5 Au6 Au8 90.09(2) . . ?
Au24 Au6 Au8 111.85(2) . . ?
S4 Au6 Au11 100.98(10) . . ?
Au2 Au6 Au11 123.18(2) . . ?
Au12 Au6 Au11 95.02(2) 18_655 . ?
Au5 Au6 Au11 62.281(17) . . ?
Au24 Au6 Au11 57.466(18) . . ?
Au8 Au6 Au11 55.084(18) . . ?
S4 Au6 Au7 64.98(10) . . ?
Au2 Au6 Au7 97.95(2) . . ?
Au12 Au6 Au7 66.00(2) 18_655 . ?
Au5 Au6 Au7 130.00(2) . . ?
Au24 Au6 Au7 161.04(3) . . ?
Au8 Au6 Au7 64.153(19) . . ?
Au11 Au6 Au7 118.37(2) . . ?
S2 Au7 S3 177.05(16) . . ?
S2 Au7 Au16 89.89(11) . 18_655 ?
S3 Au7 Au16 93.05(11) . 18_655 ?
S2 Au7 Au6 81.76(10) . . ?
S3 Au7 Au6 97.50(10) . . ?
Au16 Au7 Au6 100.30(2) 18_655 . ?
S2 Au7 Au12 90.39(10) . 18_655 ?
S3 Au7 Au12 91.27(10) . 18_655 ?
Au16 Au7 Au12 51.919(18) 18_655 18_655 ?
Au6 Au7 Au12 49.103(16) . 18_655 ?
S2 Au7 Au8 134.00(10) . . ?
S3 Au7 Au8 45.91(10) . . ?
Au16 Au7 Au8 89.59(2) 18_655 . ?
Au6 Au7 Au8 53.197(16) . . ?
Au12 Au7 Au8 54.823(17) 18_655 . ?
S3 Au8 Au17 131.76(10) . . ?
S3 Au8 Au11 154.52(11) . . ?
Au17 Au8 Au11 60.56(2) . . ?
S3 Au8 Au9 140.13(10) . . ?
Au17 Au8 Au9 60.119(19) . . ?
Au11 Au8 Au9 64.131(19) . . ?
S3 Au8 Au10 87.26(10) . . ?
Au17 Au8 Au10 97.09(2) . . ?
Au11 Au8 Au10 67.94(2) . . ?
Au9 Au8 Au10 132.06(3) . . ?
S3 Au8 Au6 104.35(10) . . ?
Au17 Au8 Au6 122.24(3) . . ?
Au11 Au8 Au6 62.493(19) . . ?
Au9 Au8 Au6 87.28(2) . . ?
Au10 Au8 Au6 69.56(2) . . ?
S3 Au8 Au12 95.85(10) . 18_655 ?
Au17 Au8 Au12 120.24(3) . 18_655 ?
Au11 Au8 Au12 92.96(2) . 18_655 ?
Au9 Au8 Au12 60.126(17) . 18_655 ?
Au10 Au8 Au12 122.66(2) . 18_655 ?
Au6 Au8 Au12 54.171(17) . 18_655 ?
S3 Au8 Au18 74.92(10) . 18_655 ?
Au17 Au8 Au18 100.11(2) . 18_655 ?
Au11 Au8 Au18 128.66(3) . 18_655 ?
Au9 Au8 Au18 65.218(18) . 18_655 ?
Au10 Au8 Au18 160.79(3) . 18_655 ?
Au6 Au8 Au18 107.54(2) . 18_655 ?
Au12 Au8 Au18 53.964(17) 18_655 18_655 ?
S3 Au8 Au7 43.45(10) . . ?
Au17 Au8 Au7 175.09(3) . . ?
Au11 Au8 Au7 124.16(2) . . ?
Au9 Au8 Au7 122.26(2) . . ?
Au10 Au8 Au7 84.18(2) . . ?
Au6 Au8 Au7 62.651(19) . . ?
Au12 Au8 Au7 62.348(18) 18_655 . ?
Au18 Au8 Au7 77.98(2) 18_655 . ?
Au17 Au9 Au17 121.89(4) . 18_655 ?
Au17 Au9 Au8 58.603(18) . . ?
Au17 Au9 Au8 119.62(2) 18_655 . ?
Au17 Au9 Au8 119.61(2) . 18_655 ?
Au17 Au9 Au8 58.598(18) 18_655 18_655 ?
Au8 Au9 Au8 176.83(4) . 18_655 ?
Au17 Au9 Au5 119.055(18) . . ?
Au17 Au9 Au5 119.057(18) 18_655 . ?
Au8 Au9 Au5 91.582(19) . . ?
Au8 Au9 Au5 91.589(19) 18_655 . ?
Au17 Au9 Au11 176.647(18) . 18_655 ?
Au17 Au9 Au11 57.673(16) 18_655 18_655 ?
Au8 Au9 Au11 124.71(2) . 18_655 ?
Au8 Au9 Au11 57.117(16) 18_655 18_655 ?
Au5 Au9 Au11 61.496(16) . 18_655 ?
Au17 Au9 Au11 57.674(16) . . ?
Au17 Au9 Au11 176.652(18) 18_655 . ?
Au8 Au9 Au11 57.111(16) . . ?
Au8 Au9 Au11 124.71(2) 18_655 . ?
Au5 Au9 Au11 61.494(16) . . ?
Au11 Au9 Au11 122.99(3) 18_655 . ?
Au17 Au9 Au12 123.078(17) . 18_655 ?
Au17 Au9 Au12 86.089(16) 18_655 18_655 ?
Au8 Au9 Au12 64.477(16) . 18_655 ?
Au8 Au9 Au12 117.267(19) 18_655 18_655 ?
Au5 Au9 Au12 60.555(16) . 18_655 ?
Au11 Au9 Au12 60.231(17) 18_655 18_655 ?
Au11 Au9 Au12 91.56(2) . 18_655 ?
Au17 Au9 Au12 86.085(16) . . ?
Au17 Au9 Au12 123.073(17) 18_655 . ?
Au8 Au9 Au12 117.260(19) . . ?
Au8 Au9 Au12 64.476(16) 18_655 . ?
Au5 Au9 Au12 60.555(16) . . ?
Au11 Au9 Au12 91.56(2) 18_655 . ?
Au11 Au9 Au12 60.231(17) . . ?
Au12 Au9 Au12 121.11(3) 18_655 . ?
Au17 Au9 Au19 60.945(18) . . ?
Au17 Au9 Au19 60.944(18) 18_655 . ?
Au8 Au9 Au19 88.418(19) . . ?
Au8 Au9 Au19 88.411(19) 18_655 . ?
Au5 Au9 Au19 180.0 . . ?
Au11 Au9 Au19 118.504(16) 18_655 . ?
Au11 Au9 Au19 118.506(16) . . ?
Au12 Au9 Au19 119.445(16) 18_655 . ?
Au12 Au9 Au19 119.445(16) . . ?
Au17 Au9 Au18 97.41(2) . 18_655 ?
Au17 Au9 Au18 57.612(18) 18_655 18_655 ?
Au8 Au9 Au18 62.494(17) . 18_655 ?
Au8 Au9 Au18 116.023(19) 18_655 18_655 ?
Au5 Au9 Au18 114.755(16) . 18_655 ?
Au11 Au9 Au18 85.074(15) 18_655 18_655 ?
Au11 Au9 Au18 119.047(16) . 18_655 ?
Au12 Au9 Au18 54.208(15) 18_655 18_655 ?
Au12 Au9 Au18 175.23(3) . 18_655 ?
Au19 Au9 Au18 65.246(16) . 18_655 ?
Au17 Au9 Au18 57.611(18) . . ?
Au17 Au9 Au18 97.41(2) 18_655 . ?
Au8 Au9 Au18 116.026(19) . . ?
Au8 Au9 Au18 62.484(17) 18_655 . ?
Au5 Au9 Au18 114.752(16) . . ?
Au11 Au9 Au18 119.043(16) 18_655 . ?
Au11 Au9 Au18 85.075(15) . . ?
Au12 Au9 Au18 175.23(3) 18_655 . ?
Au12 Au9 Au18 54.205(15) . . ?
Au19 Au9 Au18 65.248(16) . . ?
Au18 Au9 Au18 130.49(3) 18_655 . ?
S4 Au10 S7 168.29(14) . . ?
S4 Au10 Au13 100.77(10) . . ?
S7 Au10 Au13 89.32(11) . . ?
S4 Au10 Au8 88.89(10) . . ?
S7 Au10 Au8 94.09(12) . . ?
Au13 Au10 Au8 105.83(2) . . ?
S4 Au10 Au11 96.78(9) . . ?
S7 Au10 Au11 94.04(11) . . ?
Au13 Au10 Au11 52.971(18) . . ?
Au8 Au10 Au11 52.882(17) . . ?
Au13 Au11 Au8 116.96(3) . . ?
Au13 Au11 Au14 59.48(2) . . ?
Au8 Au11 Au14 176.33(3) . . ?
Au13 Au11 Au17 120.16(3) . . ?
Au8 Au11 Au17 59.28(2) . . ?
Au14 Au11 Au17 121.11(3) . . ?
Au13 Au11 Au24 59.19(2) . . ?
Au8 Au11 Au24 121.72(3) . . ?
Au14 Au11 Au24 57.869(19) . . ?
Au17 Au11 Au24 178.92(3) . . ?
Au13 Au11 Au9 175.69(3) . . ?
Au8 Au11 Au9 58.759(17) . . ?
Au14 Au11 Au9 124.79(2) . . ?
Au17 Au11 Au9 57.92(2) . . ?
Au24 Au11 Au9 122.80(3) . . ?
Au13 Au11 Au12 124.30(2) . . ?
Au8 Au11 Au12 118.62(2) . . ?
Au14 Au11 Au12 64.89(2) . . ?
Au17 Au11 Au12 86.05(2) . . ?
Au24 Au11 Au12 93.68(2) . . ?
Au9 Au11 Au12 59.942(15) . . ?
Au13 Au11 Au5 124.15(3) . . ?
Au8 Au11 Au5 90.32(2) . . ?
Au14 Au11 Au5 92.60(2) . . ?
Au17 Au11 Au5 115.69(3) . . ?
Au24 Au11 Au5 64.99(2) . . ?
Au9 Au11 Au5 57.87(2) . . ?
Au12 Au11 Au5 59.266(15) . . ?
Au13 Au11 Au6 93.70(2) . . ?
Au8 Au11 Au6 62.423(19) . . ?
Au14 Au11 Au6 117.71(2) . . ?
Au17 Au11 Au6 120.91(2) . . ?
Au24 Au11 Au6 60.147(19) . . ?
Au9 Au11 Au6 84.621(19) . . ?
Au12 Au11 Au6 114.58(2) . . ?
Au5 Au11 Au6 55.318(15) . . ?
Au13 Au11 Au20 92.21(2) . . ?
Au8 Au11 Au20 121.72(2) . . ?
Au14 Au11 Au20 58.849(19) . . ?
Au17 Au11 Au20 62.45(2) . . ?
Au24 Au11 Au20 116.56(2) . . ?
Au9 Au11 Au20 90.041(19) . . ?
Au12 Au11 Au20 55.201(17) . . ?
Au5 Au11 Au20 114.44(2) . . ?
Au6 Au11 Au20 169.73(3) . . ?
Au13 Au11 Au10 57.804(19) . . ?
Au8 Au11 Au10 59.178(19) . . ?
Au14 Au11 Au10 117.28(2) . . ?
Au17 Au11 Au10 91.15(2) . . ?
Au24 Au11 Au10 89.14(2) . . ?
Au9 Au11 Au10 117.93(2) . . ?
Au12 Au11 Au10 177.13(2) . . ?
Au5 Au11 Au10 121.71(2) . . ?
Au6 Au11 Au10 66.429(19) . . ?
Au20 Au11 Au10 123.83(2) . . ?
Au16 Au12 Au2 115.61(3) . 18_655 ?
Au16 Au12 Au6 118.25(3) . 18_655 ?
Au2 Au12 Au6 59.546(19) 18_655 18_655 ?
Au16 Au12 Au20 58.43(2) . . ?
Au2 Au12 Au20 118.64(3) 18_655 . ?
Au6 Au12 Au20 175.70(3) 18_655 . ?
Au16 Au12 Au18 59.99(2) . . ?
Au2 Au12 Au18 174.72(3) 18_655 . ?
Au6 Au12 Au18 124.55(3) 18_655 . ?
Au20 Au12 Au18 57.01(2) . . ?
Au16 Au12 Au5 173.90(3) . . ?
Au2 Au12 Au5 58.570(19) 18_655 . ?
Au6 Au12 Au5 57.999(16) 18_655 . ?
Au20 Au12 Au5 125.04(2) . . ?
Au18 Au12 Au5 125.92(3) . . ?
Au16 Au12 Au9 127.59(3) . . ?
Au2 Au12 Au9 116.80(2) 18_655 . ?
Au6 Au12 Au9 88.62(2) 18_655 . ?
Au20 Au12 Au9 95.63(2) . . ?
Au18 Au12 Au9 67.67(2) . . ?
Au5 Au12 Au9 58.26(2) . . ?
Au16 Au12 Au11 122.80(2) . . ?
Au2 Au12 Au11 87.88(2) 18_655 . ?
Au6 Au12 Au11 118.56(2) 18_655 . ?
Au20 Au12 Au11 64.491(19) . . ?
Au18 Au12 Au11 92.37(2) . . ?
Au5 Au12 Au11 60.581(15) . . ?
Au9 Au12 Au11 59.828(15) . . ?
Au16 Au12 Au8 97.18(2) . 18_655 ?
Au2 Au12 Au8 120.29(2) 18_655 18_655 ?
Au6 Au12 Au8 61.114(19) 18_655 18_655 ?
Au20 Au12 Au8 121.02(2) . 18_655 ?
Au18 Au12 Au8 64.27(2) . 18_655 ?
Au5 Au12 Au8 85.101(19) . 18_655 ?
Au9 Au12 Au8 55.392(15) . 18_655 ?
Au11 Au12 Au8 115.22(2) . 18_655 ?
Au16 Au12 Au14 91.14(2) . . ?
Au2 Au12 Au14 60.843(19) 18_655 . ?
Au6 Au12 Au14 120.19(2) 18_655 . ?
Au20 Au12 Au14 58.516(19) . . ?
Au18 Au12 Au14 115.25(2) . . ?
Au5 Au12 Au14 87.279(18) . . ?
Au9 Au12 Au14 114.17(2) . . ?
Au11 Au12 Au14 54.375(17) . . ?
Au8 Au12 Au14 169.41(2) 18_655 . ?
Au16 Au12 Au1 56.762(19) . 18_655 ?
Au2 Au12 Au1 58.857(18) 18_655 18_655 ?
Au6 Au12 Au1 89.54(2) 18_655 18_655 ?
Au20 Au12 Au1 86.27(2) . 18_655 ?
Au18 Au12 Au1 116.62(2) . 18_655 ?
Au5 Au12 Au1 117.42(2) . 18_655 ?
Au9 Au12 Au1 175.57(3) . 18_655 ?
Au11 Au12 Au1 117.84(2) . 18_655 ?
Au8 Au12 Au1 126.77(2) 18_655 18_655 ?
Au14 Au12 Au1 63.496(18) . 18_655 ?
Au16 Au12 Au7 54.351(19) . 18_655 ?
Au2 Au12 Au7 96.93(2) 18_655 18_655 ?
Au6 Au12 Au7 64.896(19) 18_655 18_655 ?
Au20 Au12 Au7 112.26(2) . 18_655 ?
Au18 Au12 Au7 82.78(2) . 18_655 ?
Au5 Au12 Au7 122.68(2) . 18_655 ?
Au9 Au12 Au7 118.03(2) . 18_655 ?
Au11 Au12 Au7 175.15(2) . 18_655 ?
Au8 Au12 Au7 62.827(18) 18_655 18_655 ?
Au14 Au12 Au7 127.71(2) . 18_655 ?
Au1 Au12 Au7 64.619(18) 18_655 18_655 ?
S11 Au13 Au14 135.14(13) . . ?
S11 Au13 Au11 163.77(13) . . ?
Au14 Au13 Au11 60.77(2) . . ?
S11 Au13 Au24 119.69(13) . . ?
Au14 Au13 Au24 59.26(2) . . ?
Au11 Au13 Au24 62.24(2) . . ?
S11 Au13 Au10 94.76(13) . . ?
Au14 Au13 Au10 129.99(3) . . ?
Au11 Au13 Au10 69.23(2) . . ?
Au24 Au13 Au10 97.38(2) . . ?
S11 Au13 Au23 105.23(13) . . ?
Au14 Au13 Au23 91.60(2) . . ?
Au11 Au13 Au23 73.86(2) . . ?
Au24 Au13 Au23 134.98(3) . . ?
Au10 Au13 Au23 74.79(2) . . ?
S11 Au13 Au15 48.95(13) . . ?
Au14 Au13 Au15 89.83(3) . . ?
Au11 Au13 Au15 142.13(3) . . ?
Au24 Au13 Au15 82.83(2) . . ?
Au10 Au13 Au15 133.71(3) . . ?
Au23 Au13 Au15 134.51(3) . . ?
S1 Au14 Au24 127.47(10) 18_655 . ?
S1 Au14 Au13 134.47(10) 18_655 . ?
Au24 Au14 Au13 60.84(2) . . ?
S1 Au14 Au11 164.24(10) 18_655 . ?
Au24 Au14 Au11 62.43(2) . . ?
Au13 Au14 Au11 59.75(2) . . ?
S1 Au14 Au20 101.98(10) 18_655 . ?
Au24 Au14 Au20 128.31(3) . . ?
Au13 Au14 Au20 96.81(2) . . ?
Au11 Au14 Au20 66.08(2) . . ?
S1 Au14 Au2 86.87(10) 18_655 18_655 ?
Au24 Au14 Au2 64.83(2) . 18_655 ?
Au13 Au14 Au2 124.86(3) . 18_655 ?
Au11 Au14 Au2 87.71(2) . 18_655 ?
Au20 Au14 Au2 109.56(2) . 18_655 ?
S1 Au14 Au12 104.37(10) 18_655 . ?
Au24 Au14 Au12 93.79(2) . . ?
Au13 Au14 Au12 120.43(2) . . ?
Au11 Au14 Au12 60.738(19) . . ?
Au20 Au14 Au12 55.975(18) . . ?
Au2 Au14 Au12 54.188(17) 18_655 . ?
S1 Au14 Au1 43.15(10) 18_655 18_655 ?
Au24 Au14 Au1 120.23(2) . 18_655 ?
Au13 Au14 Au1 177.62(3) . 18_655 ?
Au11 Au14 Au1 122.59(2) . 18_655 ?
Au20 Au14 Au1 84.10(2) . 18_655 ?
Au2 Au14 Au1 56.628(18) 18_655 18_655 ?
Au12 Au14 Au1 61.887(18) . 18_655 ?
S10 Au15 S11 173.94(17) . . ?
S10 Au15 Au13 134.06(12) . . ?
S11 Au15 Au13 51.59(11) . . ?
S00 Au16 Au20 123.35(11) . . ?
S00 Au16 Au12 163.97(12) . . ?
Au20 Au16 Au12 62.07(2) . . ?
S00 Au16 Au18 134.40(11) . . ?
Au20 Au16 Au18 58.64(2) . . ?
Au12 Au16 Au18 61.62(2) . . ?
S00 Au16 Au7 101.53(11) . 18_655 ?
Au20 Au16 Au7 134.97(3) . 18_655 ?
Au12 Au16 Au7 73.73(2) . 18_655 ?
Au18 Au16 Au7 93.77(3) . 18_655 ?
S00 Au16 Au22 50.50(11) . . ?
Au20 Au16 Au22 90.97(3) . . ?
Au12 Au16 Au22 144.70(3) . . ?
Au18 Au16 Au22 85.44(3) . . ?
Au7 Au16 Au22 124.11(3) 18_655 . ?
S00 Au16 Au1 92.13(11) . 18_655 ?
Au20 Au16 Au1 96.68(2) . 18_655 ?
Au12 Au16 Au1 71.93(2) . 18_655 ?
Au18 Au16 Au1 133.36(3) . 18_655 ?
Au7 Au16 Au1 76.50(2) 18_655 18_655 ?
Au22 Au16 Au1 137.75(3) . 18_655 ?
S6 Au17 Au8 135.56(12) . . ?
S6 Au17 Au11 130.38(12) . . ?
Au8 Au17 Au11 60.16(2) . . ?
S6 Au17 Au9 159.82(12) . . ?
Au8 Au17 Au9 61.278(18) . . ?
Au11 Au17 Au9 64.41(2) . . ?
S6 Au17 Au18 94.22(12) . . ?
Au8 Au17 Au18 129.93(3) . . ?
Au11 Au17 Au18 94.65(2) . . ?
Au9 Au17 Au18 68.903(19) . . ?
S6 Au17 Au19 100.47(11) . . ?
Au8 Au17 Au19 91.64(2) . . ?
Au11 Au17 Au19 128.39(3) . . ?
Au9 Au17 Au19 64.12(2) . . ?
Au18 Au17 Au19 70.282(19) . . ?
S6 Au17 Au20 83.53(12) . . ?
Au8 Au17 Au20 123.99(3) . . ?
Au11 Au17 Au20 63.83(2) . . ?
Au9 Au17 Au20 94.30(2) . . ?
Au18 Au17 Au20 53.525(19) . . ?
Au19 Au17 Au20 123.79(2) . . ?
S6 Au17 Au23 64.81(11) . . ?
Au8 Au17 Au23 97.12(2) . . ?
Au11 Au17 Au23 66.64(2) . . ?
Au9 Au17 Au23 130.90(3) . . ?
Au18 Au17 Au23 112.13(2) . . ?
Au19 Au17 Au23 164.97(3) . . ?
Au20 Au17 Au23 60.135(19) . . ?
S5 Au18 Au20 157.71(13) . . ?
S5 Au18 Au16 139.53(14) . . ?
Au20 Au18 Au16 59.25(2) . . ?
S5 Au18 Au12 134.44(11) . . ?
Au20 Au18 Au12 61.10(2) . . ?
Au16 Au18 Au12 58.39(2) . . ?
S5 Au18 Au17 96.76(14) . . ?
Au20 Au18 Au17 65.68(2) . . ?
Au16 Au18 Au17 123.68(3) . . ?
Au12 Au18 Au17 85.98(2) . . ?
S5 Au18 Au21 90.06(11) . . ?
Au20 Au18 Au21 72.31(2) . . ?
Au16 Au18 Au21 99.34(3) . . ?
Au12 Au18 Au21 133.39(3) . . ?
Au17 Au18 Au21 73.52(2) . . ?
S5 Au18 Au8 73.85(11) . 18_655 ?
Au20 Au18 Au8 122.60(3) . 18_655 ?
Au16 Au18 Au8 94.65(2) . 18_655 ?
Au12 Au18 Au8 61.766(19) . 18_655 ?
Au17 Au18 Au8 105.40(2) . 18_655 ?
Au21 Au18 Au8 163.72(3) . 18_655 ?
S5 Au18 Au9 87.37(13) . . ?
Au20 Au18 Au9 92.12(2) . . ?
Au16 Au18 Au9 116.45(2) . . ?
Au12 Au18 Au9 58.122(19) . . ?
Au17 Au18 Au9 53.486(16) . . ?
Au21 Au18 Au9 126.12(3) . . ?
Au8 Au18 Au9 52.290(15) 18_655 . ?
S5 Au19 S5 174.0(2) 18_655 . ?
S5 Au19 Au17 86.23(12) 18_655 . ?
S5 Au19 Au17 97.24(11) . . ?
S5 Au19 Au17 97.25(11) 18_655 18_655 ?
S5 Au19 Au17 86.22(12) . 18_655 ?
Au17 Au19 Au17 109.88(4) . 18_655 ?
S5 Au19 Au9 93.01(11) 18_655 . ?
S5 Au19 Au9 93.01(11) . . ?
Au17 Au19 Au9 54.935(18) . . ?
Au17 Au19 Au9 54.940(18) 18_655 . ?
S12 Au20 Au18 152.73(10) . . ?
S12 Au20 Au16 127.61(10) . . ?
Au18 Au20 Au16 62.11(2) . . ?
S12 Au20 Au12 145.07(10) . . ?
Au18 Au20 Au12 61.89(2) . . ?
Au16 Au20 Au12 59.50(2) . . ?
S12 Au20 Au14 79.56(9) . . ?
Au18 Au20 Au14 127.05(3) . . ?
Au16 Au20 Au14 96.10(2) . . ?
Au12 Au20 Au14 65.51(2) . . ?
S12 Au20 Au17 108.71(10) . . ?
Au18 Au20 Au17 60.80(2) . . ?
Au16 Au20 Au17 121.71(3) . . ?
Au12 Au20 Au17 83.95(2) . . ?
Au14 Au20 Au17 108.64(2) . . ?
S12 Au20 Au11 100.36(9) . . ?
Au18 Au20 Au11 92.63(2) . . ?
Au16 Au20 Au11 119.70(2) . . ?
Au12 Au20 Au11 60.308(19) . . ?
Au14 Au20 Au11 55.067(18) . . ?
Au17 Au20 Au11 53.721(18) . . ?
S12 Au20 Au23 45.46(10) . . ?
Au18 Au20 Au23 123.74(3) . . ?
Au16 Au20 Au23 173.07(3) . . ?
Au12 Au20 Au23 125.63(3) . . ?
Au14 Au20 Au23 83.03(2) . . ?
Au17 Au20 Au23 64.88(2) . . ?
Au11 Au20 Au23 65.347(19) . . ?
S6 Au21 S13 172.56(17) . . ?
S6 Au21 Au18 91.07(11) . . ?
S13 Au21 Au18 95.12(12) . . ?
S13 Au22 S00 171.26(17) . . ?
S13 Au22 Au16 123.88(13) . . ?
S00 Au22 Au16 53.92(10) . . ?
S7 Au23 S12 176.02(16) . . ?
S7 Au23 Au13 89.18(11) . . ?
S12 Au23 Au13 89.77(10) . . ?
S7 Au23 Au20 136.74(12) . . ?
S12 Au23 Au20 46.96(9) . . ?
Au13 Au23 Au20 85.98(2) . . ?
S7 Au23 Au17 83.45(12) . . ?
S12 Au23 Au17 100.50(10) . . ?
Au13 Au23 Au17 98.36(2) . . ?
Au20 Au23 Au17 54.984(18) . . ?
S9 Au24 Au14 151.53(10) . . ?
S9 Au24 Au13 139.11(10) . . ?
Au14 Au24 Au13 59.90(2) . . ?
S9 Au24 Au11 143.54(10) . . ?
Au14 Au24 Au11 59.70(2) . . ?
Au13 Au24 Au11 58.57(2) . . ?
S9 Au24 Au6 82.36(10) . . ?
Au14 Au24 Au6 121.76(3) . . ?
Au13 Au24 Au6 94.74(2) . . ?
Au11 Au24 Au6 62.387(19) . . ?
S9 Au24 Au2 98.48(10) . 18_655 ?
Au14 Au24 Au2 61.66(2) . 18_655 ?
Au13 Au24 Au2 120.82(2) . 18_655 ?
Au11 Au24 Au2 84.78(2) . 18_655 ?
Au6 Au24 Au2 107.96(2) . 18_655 ?
S9 Au24 Au5 93.08(9) . . ?
Au14 Au24 Au5 90.46(2) . . ?
Au13 Au24 Au5 118.25(2) . . ?
Au11 Au24 Au5 59.695(19) . . ?
Au6 Au24 Au5 54.348(15) . . ?
Au2 Au24 Au5 53.684(14) 18_655 . ?
S9 Au24 Au4 43.63(10) . . ?
Au14 Au24 Au4 118.38(2) . . ?
Au13 Au24 Au4 176.89(3) . . ?
Au11 Au24 Au4 118.40(2) . . ?
Au6 Au24 Au4 84.057(19) . . ?
Au2 Au24 Au4 57.094(15) 18_655 . ?
Au5 Au24 Au4 58.760(19) . . ?
C2 C1 C6 121.0(18) . . ?
C2 C1 H1 119.5 . . ?
C6 C1 H1 119.5 . . ?
C1 C2 C3 119.3(19) . . ?
C1 C2 C7 118.8(18) . . ?
C3 C2 C7 121.7(18) . . ?
C4 C3 C2 121.8(18) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
C3 C4 C5 120.1(18) . . ?
C3 C4 C8 122.1(18) . . ?
C5 C4 C8 117.9(18) . . ?
C4 C5 C6 118.4(18) . . ?
C4 C5 H5 120.8 . . ?
C6 C5 H5 120.8 . . ?
C1 C6 C5 119.2(17) . . ?
C1 C6 S1 119.4(14) . . ?
C5 C6 S1 120.3(14) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C14 118.4(16) . . ?
C10 C9 S8 122.1(14) . . ?
C14 C9 S8 119.4(14) . . ?
C9 C10 C11 120.1(17) . . ?
C9 C10 H10 119.9 . . ?
C11 C10 H10 119.9 . . ?
C12 C11 C10 119.5(18) . . ?
C12 C11 C15 120.6(17) . . ?
C10 C11 C15 119.9(18) . . ?
C11 C12 C13 119.6(17) . . ?
C11 C12 H12 120.2 . . ?
C13 C12 H12 120.2 . . ?
C14 C13 C12 119.5(18) . . ?
C14 C13 C16 121.4(18) . . ?
C12 C13 C16 118.9(16) . . ?
C13 C14 C9 122.7(18) . . ?
C13 C14 H14 118.7 . . ?
C9 C14 H14 118.7 . . ?
C11 C15 H15A 109.5 . . ?
C11 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C11 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C22 121(2) . . ?
C18 C17 S2 122.5(18) . . ?
C22 C17 S2 116.3(17) . . ?
C17 C18 C19 121(2) . . ?
C17 C18 H18 119.7 . . ?
C19 C18 H18 119.7 . . ?
C20 C19 C18 118(2) . . ?
C20 C19 C23 123(2) . . ?
C18 C19 C23 119(2) . . ?
C19 C20 C21 124(2) . . ?
C19 C20 H20 118.2 . . ?
C21 C20 H20 118.2 . . ?
C22 C21 C20 117(2) . . ?
C22 C21 C24 119(2) . . ?
C20 C21 C24 124(2) . . ?
C21 C22 C17 119(2) . . ?
C21 C22 H22 120.6 . . ?
C17 C22 H22 120.6 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 120(2) . . ?
C26 C25 S3 122(2) . . ?
C30 C25 S3 117(2) . . ?
C27 C26 C25 125(3) . . ?
C27 C26 H26 117.7 . . ?
C25 C26 H26 117.7 . . ?
C26 C27 C28 114(3) . . ?
C26 C27 C31 122(3) . . ?
C28 C27 C31 124(2) . . ?
C29 C28 C27 123(3) . . ?
C29 C28 H28 118.4 . . ?
C27 C28 H28 118.4 . . ?
C30 C29 C28 119(3) . . ?
C30 C29 C32 122(3) . . ?
C28 C29 C32 119(3) . . ?
C29 C30 C25 118(3) . . ?
C29 C30 H30 120.9 . . ?
C25 C30 H30 120.9 . . ?
C27 C31 H31A 109.5 . . ?
C27 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C27 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C34 C33 C38 118.4(18) . . ?
C34 C33 H33 120.8 . . ?
C38 C33 H33 120.8 . . ?
C35 C34 C33 121.4(18) . . ?
C35 C34 C39 120.8(18) . . ?
C33 C34 C39 117.7(19) . . ?
C34 C35 C36 121.8(18) . . ?
C34 C35 H35 119.1 . . ?
C36 C35 H35 119.1 . . ?
C37 C36 C35 117.2(17) . . ?
C37 C36 C40 122.1(18) . . ?
C35 C36 C40 120.5(17) . . ?
C38 C37 C36 120.6(17) . . ?
C38 C37 H37 119.7 . . ?
C36 C37 H37 119.7 . . ?
C37 C38 C33 120.5(16) . . ?
C37 C38 S4 117.2(14) . . ?
C33 C38 S4 121.5(14) . . ?
C34 C39 H39A 109.5 . . ?
C34 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C34 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C36 C40 H40A 109.5 . . ?
C36 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C36 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C46 C41 C42 119(2) . . ?
C46 C41 S7 121(2) . . ?
C42 C41 S7 119(2) . . ?
C43 C42 C41 120(3) . . ?
C43 C42 H42 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C43 C44 116(3) . . ?
C42 C43 C47 118(2) . . ?
C44 C43 C47 126(2) . . ?
C45 C44 C43 123(3) . . ?
C45 C44 H44 118.5 . . ?
C43 C44 H44 118.5 . . ?
C46 C45 C44 115(3) . . ?
C46 C45 C48 128(3) . . ?
C44 C45 C48 116(3) . . ?
C41 C46 C45 126(3) . . ?
C41 C46 H46 117.1 . . ?
C45 C46 H46 117.1 . . ?
C43 C47 H47A 109.5 . . ?
C43 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C43 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C45 C48 H48A 109.5 . . ?
C45 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C45 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C54 C49 C50 119(2) . . ?
C54 C49 S11 123.5(19) . . ?
C50 C49 S11 118(2) . . ?
C49 C50 C51 124(3) . . ?
C49 C50 H50 118.1 . . ?
C51 C50 H50 118.1 . . ?
C52 C51 C50 117(2) . . ?
C52 C51 C55 127(3) . . ?
C50 C51 C55 115(3) . . ?
C51 C52 C53 124(3) . . ?
C51 C52 H52 118.1 . . ?
C53 C52 H52 118.1 . . ?
C52 C53 C54 117(3) . . ?
C52 C53 C56 127(2) . . ?
C54 C53 C56 117(2) . . ?
C49 C54 C53 120(3) . . ?
C49 C54 H54 120.1 . . ?
C53 C54 H54 120.1 . . ?
C51 C55 H55A 109.5 . . ?
C51 C55 H55B 109.5 . . ?
H55A C55 H55B 109.5 . . ?
C51 C55 H55C 109.5 . . ?
H55A C55 H55C 109.5 . . ?
H55B C55 H55C 109.5 . . ?
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 . . ?
C58 C57 C62 120.0 . . ?
C58 C57 S10 118.6(11) . . ?
C62 C57 S10 121.0(11) . . ?
C59 C58 C57 120.0 . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C59 C60 120.0 . . ?
C58 C59 C63 114.2(18) . . ?
C60 C59 C63 125.8(18) . . ?
C59 C60 C61 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 C64 123.6(15) . . ?
C60 C61 C64 116.4(15) . . ?
C61 C62 C57 120.0 . . ?
C61 C62 H62 120.0 . . ?
C57 C62 H62 120.0 . . ?
C59 C63 H63A 109.5 . . ?
C59 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C59 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 C70 123.4(17) . . ?
C66 C65 S9 117.2(14) . . ?
C70 C65 S9 119.3(15) . . ?
C67 C66 C65 119.3(19) . . ?
C67 C66 H66 120.3 . . ?
C65 C66 H66 120.3 . . ?
C66 C67 C68 116.6(18) . . ?
C66 C67 C71 121(2) . . ?
C68 C67 C71 121.9(18) . . ?
C69 C68 C67 124.8(18) . . ?
C69 C68 H68 117.6 . . ?
C67 C68 H68 117.6 . . ?
C68 C69 C70 117.5(19) . . ?
C68 C69 C72 121.6(18) . . ?
C70 C69 C72 120.8(19) . . ?
C65 C70 C69 118.1(18) . . ?
C65 C70 H70 121.0 . . ?
C69 C70 H70 121.0 . . ?
C67 C71 H71A 109.5 . . ?
C67 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C67 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C69 C72 H72A 109.5 . . ?
C69 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C69 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
C74 C73 C78 114(3) . . ?
C74 C73 H73 122.8 . . ?
C78 C73 H73 122.8 . . ?
C75 C74 C73 123(3) . . ?
C75 C74 C79 118(3) . . ?
C73 C74 C79 118(3) . . ?
C74 C75 C76 122(3) . . ?
C74 C75 H75 119.2 . . ?
C76 C75 H75 119.2 . . ?
C77 C76 C75 118(3) . . ?
C77 C76 C80 121(3) . . ?
C75 C76 C80 121(3) . . ?
C78 C77 C76 120(3) . . ?
C78 C77 H77 120.0 . . ?
C76 C77 H77 120.0 . . ?
C77 C78 C73 122(3) . . ?
C77 C78 S6 122(3) . . ?
C73 C78 S6 115(2) . . ?
C74 C79 H79A 109.5 . . ?
C74 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C74 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C76 C80 H80A 109.5 . . ?
C76 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C76 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C82 C81 C86 120.9(18) . . ?
C82 C81 H81 119.5 . . ?
C86 C81 H81 119.5 . . ?
C81 C82 C83 117.9(18) . . ?
C81 C82 C87 118.8(17) . . ?
C83 C82 C87 123.3(17) . . ?
C82 C83 C84 122.1(17) . . ?
C82 C83 H83 119.0 . . ?
C84 C83 H83 119.0 . . ?
C83 C84 C85 119.1(17) . . ?
C83 C84 C88 123.5(16) . . ?
C85 C84 C88 117.4(18) . . ?
C86 C85 C84 118.9(18) . . ?
C86 C85 H85 120.6 . . ?
C84 C85 H85 120.6 . . ?
C81 C86 C85 121.1(16) . . ?
C81 C86 S12 115.6(13) . . ?
C85 C86 S12 123.2(14) . . ?
C82 C87 H87A 109.5 . . ?
C82 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C82 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C84 C88 H88A 109.5 . . ?
C84 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C84 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
C94 C89 C90 126(2) . . ?
C94 C89 H89 117.2 . . ?
C90 C89 H89 117.2 . . ?
C91 C90 C89 116(2) . . ?
C91 C90 C95 116(2) . . ?
C89 C90 C95 127(2) . . ?
C90 C91 C92 122(2) . . ?
C90 C91 H91 119.0 . . ?
C92 C91 H91 119.0 . . ?
C93 C92 C91 117(2) . . ?
C93 C92 C96 118(2) . . ?
C91 C92 C96 126(2) . . ?
C94 C93 C92 122(2) . . ?
C94 C93 H93 118.8 . . ?
C92 C93 H93 118.8 . . ?
C89 C94 C93 117(2) . . ?
C89 C94 S13 122.8(17) . . ?
C93 C94 S13 120(2) . . ?
C90 C95 H95A 109.5 . . ?
C90 C95 H95B 109.5 . . ?
H95A C95 H95B 109.5 . . ?
C90 C95 H95C 109.5 . . ?
H95A C95 H95C 109.5 . . ?
H95B C95 H95C 109.5 . . ?
C92 C96 H96A 109.5 . . ?
C92 C96 H96B 109.5 . . ?
H96A C96 H96B 109.5 . . ?
C92 C96 H96C 109.5 . . ?
H96A C96 H96C 109.5 . . ?
H96B C96 H96C 109.5 . . ?
C98 C97 C102 120.7(17) . . ?
C98 C97 S5 117.8(16) . . ?
C102 C97 S5 121.5(16) . . ?
C99 C98 C97 118.5(19) . . ?
C99 C98 H98 120.7 . . ?
C97 C98 H98 120.7 . . ?
C100 C99 C98 122(2) . . ?
C100 C99 C103 125(2) . . ?
C98 C99 C103 113(2) . . ?
C99 C100 C101 119.0(18) . . ?
C99 C100 H100 120.5 . . ?
C101 C100 H100 120.5 . . ?
C102 C101 C100 119.3(19) . . ?
C102 C101 C104 121(2) . . ?
C100 C101 C104 119(2) . . ?
C97 C102 C101 120.2(18) . . ?
C97 C102 H102 119.9 . . ?
C101 C102 H102 119.9 . . ?
C99 C103 H10A 109.5 . . ?
C99 C103 H10B 109.5 . . ?
H10A C103 H10B 109.5 . . ?
C99 C103 H10C 109.5 . . ?
H10A C103 H10C 109.5 . . ?
H10B C103 H10C 109.5 . . ?
C101 C104 H10D 109.5 . . ?
C101 C104 H10E 109.5 . . ?
H10D C104 H10E 109.5 . . ?
C101 C104 H10F 109.5 . . ?
H10D C104 H10F 109.5 . . ?
H10E C104 H10F 109.5 . . ?
C110 C105 C106 120(2) . . ?
C110 C105 H105 120.2 . . ?
C106 C105 H105 120.2 . . ?
C105 C106 C107 118(2) . . ?
C105 C106 C111 117(2) . . ?
C107 C106 C111 124.4(19) . . ?
C108 C107 C106 123(2) . . ?
C108 C107 H107 118.5 . . ?
C106 C107 H107 118.5 . . ?
C107 C108 C109 118(2) . . ?
C107 C108 C112 122(2) . . ?
C109 C108 C112 121(2) . . ?
C110 C109 C108 119(2) . . ?
C110 C109 H109 120.3 . . ?
C108 C109 H109 120.3 . . ?
C109 C110 C105 121.9(18) . . ?
C109 C110 S00 121.3(16) . . ?
C105 C110 S00 116.7(17) . . ?
C106 C111 H11A 109.5 . . ?
C106 C111 H11B 109.5 . . ?
H11A C111 H11B 109.5 . . ?
C106 C111 H11C 109.5 . . ?
H11A C111 H11C 109.5 . . ?
H11B C111 H11C 109.5 . . ?
C108 C112 H11D 109.5 . . ?
C108 C112 H11E 109.5 . . ?
H11D C112 H11E 109.5 . . ?
C108 C112 H11F 109.5 . . ?
H11D C112 H11F 109.5 . . ?
H11E C112 H11F 109.5 . . ?
C110 S00 Au22 101.4(8) . . ?
C110 S00 Au16 110.6(6) . . ?
Au22 S00 Au16 75.58(13) . . ?
C6 S1 Au1 112.3(6) . . ?
C6 S1 Au14 114.6(6) . 18_655 ?
Au1 S1 Au14 92.47(13) . 18_655 ?
C17 S2 Au7 109.0(8) . . ?
C17 S2 Au1 107.9(8) . . ?
Au7 S2 Au1 101.15(17) . . ?
C25 S3 Au7 105.9(9) . . ?
C25 S3 Au8 114.5(9) . . ?
Au7 S3 Au8 90.64(14) . . ?
C38 S4 Au10 110.4(6) . . ?
C38 S4 Au6 115.4(6) . . ?
Au10 S4 Au6 92.57(13) . . ?
C97 S5 Au19 107.3(8) . . ?
C97 S5 Au18 115.9(10) . . ?
Au19 S5 Au18 92.27(17) . . ?
C78 S6 Au21 106.8(13) . . ?
C78 S6 Au17 113.5(10) . . ?
Au21 S6 Au17 101.16(17) . . ?
C41 S7 Au23 106.0(9) . . ?
C41 S7 Au10 103.4(9) . . ?
Au23 S7 Au10 99.91(16) . . ?
C9 S8 Au3 107.3(6) . . ?
C9 S8 Au2 108.9(6) . . ?
Au3 S8 Au2 104.59(15) . . ?
C65 S9 Au4 109.1(7) . . ?
C65 S9 Au24 110.8(6) . . ?
Au4 S9 Au24 91.68(13) . . ?
C57 S10 Au15 98.8(8) . . ?
C57 S10 Au3 110.6(6) . 18_655 ?
Au15 S10 Au3 100.41(19) . 18_655 ?
C49 S11 Au15 100.9(7) . . ?
C49 S11 Au13 114.9(9) . . ?
Au15 S11 Au13 79.46(15) . . ?
C86 S12 Au23 111.4(6) . . ?
C86 S12 Au20 104.0(6) . . ?
Au23 S12 Au20 87.58(13) . . ?
C94 S13 Au22 109.6(9) . . ?
C94 S13 Au21 109.6(8) . . ?
Au22 S13 Au21 98.20(19) . . ?
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 S2 2.312(4) . ?
Au1 S1 2.312(4) . ?
Au1 Au16 2.9289(9) 18_655 ?
Au1 Au2 3.0307(8) . ?
Au1 Au12 3.3293(8) 18_655 ?
Au1 Au14 3.3774(9) 18_655 ?
Au2 S8 2.395(4) . ?
Au2 Au6 2.7369(8) . ?
Au2 Au12 2.7544(8) 18_655 ?
Au2 Au5 2.7887(6) . ?
Au2 Au14 2.9657(8) 18_655 ?
Au2 Au24 3.0494(8) 18_655 ?
Au2 Au4 3.0675(7) . ?
Au3 S8 2.291(4) . ?
Au3 S10 2.304(5) 18_655 ?
Au4 S9 2.310(4) . ?
Au4 S9 2.310(4) 18_655 ?
Au4 Au5 3.1809(11) . ?
Au4 Au24 3.3467(7) 18_655 ?
Au4 Au24 3.3467(7) . ?
Au5 Au6 2.7657(6) . ?
Au5 Au6 2.7659(6) 18_655 ?
Au5 Au9 2.8692(10) . ?
Au5 Au12 2.9378(6) 18_655 ?
Au5 Au12 2.9380(6) . ?
Au5 Au11 2.9773(6) . ?
Au5 Au11 2.9773(6) 18_655 ?
Au5 Au24 3.1250(6) 18_655 ?
Au5 Au24 3.1251(7) . ?
Au6 S4 2.389(4) . ?
Au6 Au12 2.7581(8) 18_655 ?
Au6 Au24 2.9173(8) . ?
Au6 Au8 2.9787(8) . ?
Au6 Au11 2.9806(8) . ?
Au6 Au7 3.3043(8) . ?
Au7 S2 2.298(4) . ?
Au7 S3 2.303(4) . ?
Au7 Au16 2.8216(9) 18_655 ?
Au7 Au12 3.3334(8) 18_655 ?
Au7 Au8 3.3479(9) . ?
Au8 S3 2.405(4) . ?
Au8 Au17 2.7308(8) . ?
Au8 Au11 2.7555(8) . ?
Au8 Au9 2.8056(6) . ?
Au8 Au10 2.9676(8) . ?
Au8 Au12 3.0759(8) 18_655 ?
Au8 Au18 3.1456(8) 18_655 ?
Au9 Au17 2.7740(7) . ?
Au9 Au17 2.7742(7) 18_655 ?
Au9 Au11 2.9525(6) 18_655 ?
Au9 Au11 2.9526(6) . ?
Au9 Au12 2.9557(7) 18_655 ?
Au9 Au12 2.9561(7) . ?
Au9 Au19 3.0492(12) . ?
Au9 Au18 3.2199(7) 18_655 ?
Au9 Au18 3.2201(7) . ?
Au10 S4 2.303(4) . ?
Au10 S7 2.324(4) . ?
Au10 Au13 2.8986(8) . ?
Au10 Au11 3.2026(8) . ?
Au11 Au13 2.7345(8) . ?
Au11 Au14 2.7623(8) . ?
Au11 Au17 2.7665(8) . ?
Au11 Au24 2.8358(8) . ?
Au11 Au12 2.9646(8) . ?
Au11 Au20 3.0801(8) . ?
Au12 Au16 2.7330(8) . ?
Au12 Au20 2.8024(8) . ?
Au12 Au18 2.8236(8) . ?
Au12 Au14 3.0771(8) . ?
Au13 S11 2.379(4) . ?
Au13 Au14 2.7269(8) . ?
Au13 Au24 2.7523(8) . ?
Au13 Au23 2.9254(9) . ?
Au13 Au15 2.9852(10) . ?
Au14 S1 2.364(4) 18_655 ?
Au14 Au24 2.7092(8) . ?
Au14 Au20 2.8835(9) . ?
Au15 S10 2.265(5) . ?
Au15 S11 2.290(5) . ?
Au16 S00 2.410(4) . ?
Au16 Au20 2.7023(8) . ?
Au16 Au18 2.7791(9) . ?
Au16 Au22 2.8884(9) . ?
Au17 S6 2.385(4) . ?
Au17 Au18 2.9145(9) . ?
Au17 Au19 2.9626(8) . ?
Au17 Au20 3.0426(9) . ?
Au17 Au23 3.3637(9) . ?
Au18 S5 2.385(4) . ?
Au18 Au20 2.6849(9) . ?
Au18 Au21 3.1143(9) . ?
Au19 S5 2.306(6) 18_655 ?
Au19 S5 2.306(6) . ?
Au20 S12 2.357(4) . ?
Au20 Au23 3.2216(9) . ?
Au21 S6 2.289(5) . ?
Au21 S13 2.298(5) . ?
Au22 S13 2.268(5) . ?
Au22 S00 2.301(5) . ?
Au23 S7 2.297(4) . ?
Au23 S12 2.298(4) . ?
Au24 S9 2.355(4) . ?
C1 C2 1.37(2) . ?
C1 C6 1.37(2) . ?
C1 H1 0.9500 . ?
C2 C3 1.38(2) . ?
C2 C7 1.49(3) . ?
C3 C4 1.34(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.40(2) . ?
C4 C8 1.51(2) . ?
C5 C6 1.42(2) . ?
C5 H5 0.9500 . ?
C6 S1 1.772(18) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.36(2) . ?
C9 C14 1.38(2) . ?
C9 S8 1.780(17) . ?
C10 C11 1.43(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.35(3) . ?
C11 C15 1.50(3) . ?
C12 C13 1.41(2) . ?
C12 H12 0.9500 . ?
C13 C14 1.34(2) . ?
C13 C16 1.54(3) . ?
C14 H14 0.9500 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C18 1.34(3) . ?
C17 C22 1.44(3) . ?
C17 S2 1.78(2) . ?
C18 C19 1.38(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.38(3) . ?
C19 C23 1.51(3) . ?
C20 C21 1.40(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.38(3) . ?
C21 C24 1.49(3) . ?
C22 H22 0.9500 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.38(4) . ?
C25 C30 1.39(3) . ?
C25 S3 1.80(2) . ?
C26 C27 1.36(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.40(4) . ?
C27 C31 1.54(4) . ?
C28 C29 1.42(4) . ?
C28 H28 0.9500 . ?
C29 C30 1.38(3) . ?
C29 C32 1.44(4) . ?
C30 H30 0.9500 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C34 1.39(2) . ?
C33 C38 1.40(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.34(3) . ?
C34 C39 1.48(3) . ?
C35 C36 1.43(3) . ?
C35 H35 0.9500 . ?
C36 C37 1.39(2) . ?
C36 C40 1.52(3) . ?
C37 C38 1.40(2) . ?
C37 H37 0.9500 . ?
C38 S4 1.785(17) . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 C46 1.31(3) . ?
C41 C42 1.40(3) . ?
C41 S7 1.80(3) . ?
C42 C43 1.40(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.37(4) . ?
C43 C47 1.59(4) . ?
C44 C45 1.41(4) . ?
C44 H44 0.9500 . ?
C45 C46 1.32(3) . ?
C45 C48 1.55(4) . ?
C46 H46 0.9500 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C54 1.33(3) . ?
C49 C50 1.35(3) . ?
C49 S11 1.81(2) . ?
C50 C51 1.34(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.32(3) . ?
C51 C55 1.501(10) . ?
C52 C53 1.35(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.42(3) . ?
C53 C56 1.56(4) . ?
C54 H54 0.9500 . ?
C55 H55A 0.9800 . ?
C55 H55B 0.9800 . ?
C55 H55C 0.9800 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 C58 1.3900 . ?
C57 C62 1.3900 . ?
C57 S10 1.779(13) . ?
C58 C59 1.3900 . ?
C58 H58 0.9500 . ?
C59 C60 1.3900 . ?
C59 C63 1.505(10) . ?
C60 C61 1.3900 . ?
C60 H60 0.9500 . ?
C61 C62 1.3900 . ?
C61 C64 1.497(10) . ?
C62 H62 0.9500 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.40(3) . ?
C65 C70 1.42(3) . ?
C65 S9 1.776(17) . ?
C66 C67 1.39(2) . ?
C66 H66 0.9500 . ?
C67 C68 1.44(3) . ?
C67 C71 1.45(3) . ?
C68 C69 1.38(3) . ?
C68 H68 0.9500 . ?
C69 C70 1.42(2) . ?
C69 C72 1.49(3) . ?
C70 H70 0.9500 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.39(3) . ?
C73 C78 1.45(4) . ?
C73 H73 0.9500 . ?
C74 C75 1.31(4) . ?
C74 C79 1.54(4) . ?
C75 C76 1.39(4) . ?
C75 H75 0.9500 . ?
C76 C77 1.40(3) . ?
C76 C80 1.54(4) . ?
C77 C78 1.33(4) . ?
C77 H77 0.9500 . ?
C78 S6 1.78(3) . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 C82 1.38(2) . ?
C81 C86 1.37(2) . ?
C81 H81 0.9500 . ?
C82 C83 1.37(2) . ?
C82 C87 1.51(3) . ?
C83 C84 1.39(2) . ?
C83 H83 0.9500 . ?
C84 C85 1.39(2) . ?
C84 C88 1.48(2) . ?
C85 C86 1.38(2) . ?
C85 H85 0.9500 . ?
C86 S12 1.799(16) . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
C89 C94 1.37(3) . ?
C89 C90 1.38(3) . ?
C89 H89 0.9500 . ?
C90 C91 1.37(3) . ?
C90 C95 1.50(3) . ?
C91 C92 1.43(3) . ?
C91 H91 0.9500 . ?
C92 C93 1.40(3) . ?
C92 C96 1.54(3) . ?
C93 C94 1.37(3) . ?
C93 H93 0.9500 . ?
C94 S13 1.77(2) . ?
C95 H95A 0.9800 . ?
C95 H95B 0.9800 . ?
C95 H95C 0.9800 . ?
C96 H96A 0.9800 . ?
C96 H96B 0.9800 . ?
C96 H96C 0.9800 . ?
C97 C98 1.375(17) . ?
C97 C102 1.374(17) . ?
C97 S5 1.773(18) . ?
C98 C99 1.368(16) . ?
C98 H98 0.9500 . ?
C99 C100 1.379(17) . ?
C99 C103 1.50(4) . ?
C100 C101 1.385(17) . ?
C100 H100 0.9500 . ?
C101 C102 1.384(16) . ?
C101 C104 1.52(4) . ?
C102 H102 0.9500 . ?
C103 H10A 0.9800 . ?
C103 H10B 0.9800 . ?
C103 H10C 0.9800 . ?
C104 H10D 0.9800 . ?
C104 H10E 0.9800 . ?
C104 H10F 0.9800 . ?
C105 C110 1.41(3) . ?
C105 C106 1.42(3) . ?
C105 H105 0.9500 . ?
C106 C107 1.43(3) . ?
C106 C111 1.51(3) . ?
C107 C108 1.39(3) . ?
C107 H107 0.9500 . ?
C108 C109 1.45(3) . ?
C108 C112 1.45(3) . ?
C109 C110 1.40(3) . ?
C109 H109 0.9500 . ?
C110 S00 1.765(19) . ?
C111 H11A 0.9800 . ?
C111 H11B 0.9800 . ?
C111 H11C 0.9800 . ?
C112 H11D 0.9800 . ?
C112 H11E 0.9800 . ?
C112 H11F 0.9800 . ?
