#------------------------------------------------------------------------------
#$Date: 2024-07-05 17:59:53 +0300 (Fri, 05 Jul 2024) $
#$Revision: 292897 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/16/1571649.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_1571649
loop_
_publ_author_name
'Gratious, Saniya'
'Afreen, ?'
'Mahal, Eti'
'Thomas, Jibin'
'Saha, Shubhadeep'
'Nair, Akhil S.'
'Adarsh, K. V.'
'Pathak, Biswarup'
'Mandal, Sukhendu'
_publ_section_title
;
 "Visualizing" the partially reversible conversion of gold nanoclusters
 via the
 Au₂₃(S-c-C₆H₁₁)₁₇
 intermediate.
;
_journal_issue                   25
_journal_name_full               'Chemical science'
_journal_page_first              9823
_journal_page_last               9829
_journal_paper_doi               10.1039/d4sc01225a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_moiety         'C108 H72 Au25 F18 S18'
_chemical_formula_sum            'C108 H72 Au25 F18 S18'
_chemical_formula_weight         7212.89
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2024-04-04 deposited with the CCDC.	2024-05-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.038(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   29.6682(14)
_cell_length_b                   17.7115(9)
_cell_length_c                   34.7181(18)
_cell_measurement_reflns_used    9231
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.6037
_cell_measurement_theta_min      2.3883
_cell_volume                     16661.1(15)
_computing.cell_refinement       'SAINT V8.5.0.27 (Bruker AXS LLC, 2023)'
_computing_data_collection
'Bruker APEX5 v2023.9-0'(Bruker AXS Inc., 2023)'
_computing.data_reduction        'SAINT V8.5.0.27 (Bruker AXS LLC, 2023)'
_computing.molecular_graphics    'shelXle (C.B. Huebschle, rev 1503)'
_computing_publication_material  'APEX5 v2023.9-0 (Bruker AXS Inc., 2023)'
_computing.structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'XT, VERSION 2018/2'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 CPAD
_diffrn_detector_area_resol_mean 7.39
_diffrn_detector_type            'Bruker PHOTON III C14'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement.device       'Bruker D8 QUEST'
_diffrn_measurement_device_type  'Four-circle Kappa diffractometer'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_unetI/netI     0.0275
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            185497
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.026
_diffrn_reflns_theta_max         25.026
_diffrn_reflns_theta_min         2.079
_diffrn_source                   'microfocus sealed tube'
_diffrn_source.type              'Incoatec I\mS 3.0'
_exptl_absorpt_coefficient_mu    22.190
_exptl_absorpt_correction_T_max  0.17
_exptl_absorpt_correction_T_min  0.02
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Krause, L., Herbst-Irmer, R., Sheldrick, G. M., Stalke, D. (2015).
"Comparison of silver and molybdenum microfocus X-ray sources for
single-crystal structure determination"
J. Appl. Cryst. 48, 3-10.
doi:10.1107/S1600576714022985
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.876
_exptl_crystal_description       block
_exptl_crystal_F_000             12580
_exptl_crystal_size_max          0.288
_exptl_crystal_size_mid          0.225
_exptl_crystal_size_min          0.125
_refine_diff_density_max         3.328
_refine_diff_density_min         -2.689
_refine_diff_density_rms         0.351
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     791
_refine_ls_number_reflns         14690
_refine_ls_number_restraints     80
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.0610
_refine_ls_R_factor_gt           0.0598
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0254P)²+2154.7229P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1446
_refine_ls_wR_factor_ref         0.1451
_reflns_Friedel_coverage         0.000
_reflns_number_gt                14179
_reflns_number_total             14690
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4sc01225a2.cif
_cod_data_source_block           0061_260324_sg53a_b_sq
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-Scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1571649.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1571649
_shelx_shelxl_version_number     2019/1
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.060
_shelx_estimated_absorpt_t_max   0.168
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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 0.500000 0.500000 0.500000 0.0342(2) Uani 1 2 d S . P A .
Au2A Au 0.57072(3) 0.43481(4) 0.47649(3) 0.03692(19) Uani 0.9810(13) 1 d . U P A
1
Au6A Au 0.53549(3) 0.57503(4) 0.57605(2) 0.03734(19) Uani 0.9810(13) 1 d . U P A
1
Au3C Au 0.64656(3) 0.56493(5) 0.62524(3) 0.0424(2) Uani 0.9810(13) 1 d . U P A 1
Au2B Au 0.5550(15) 0.433(2) 0.4482(16) 0.037(5) Uani 0.0190(13) 1 d . U P A 2
Au6B Au 0.5251(14) 0.635(2) 0.5725(11) 0.035(5) Uani 0.0190(13) 1 d . U P A 2
Au3D Au 0.6158(16) 0.567(2) 0.5960(13) 0.041(5) Uani 0.0190(13) 1 d . U P A 2
Au3 Au 0.47826(3) 0.43162(4) 0.56181(2) 0.03833(18) Uani 1 1 d . . . . .
Au4 Au 0.50739(3) 0.34362(4) 0.50555(2) 0.03827(18) Uani 1 1 d . . . . .
Au5 Au 0.40982(3) 0.42221(4) 0.47370(2) 0.03786(17) Uani 1 1 d . . . . .
Au7 Au 0.58257(3) 0.43529(4) 0.56383(2) 0.03882(18) Uani 1 1 d . . . . .
Au8 Au 0.55323(3) 0.30105(4) 0.60281(3) 0.04115(18) Uani 1 1 d . . . . .
Au9 Au 0.36685(3) 0.44344(5) 0.54358(3) 0.04288(19) Uani 1 1 d . . . . .
Au10 Au 0.46455(3) 0.55600(5) 0.61985(3) 0.04266(19) Uani 1 1 d . . . . .
Au11 Au 0.61493(3) 0.28854(5) 0.53269(3) 0.04299(19) Uani 1 1 d . . . . .
Au13 Au 0.41599(3) 0.27034(4) 0.43186(3) 0.04429(19) Uani 1 1 d . . . . .
S1 S 0.53585(19) 0.6278(3) 0.64015(16) 0.0406(11) Uani 1 1 d . . . . .
S2 S 0.49012(19) 0.3477(3) 0.61985(17) 0.0434(11) Uani 1 1 d . . . . .
S3 S 0.65685(19) 0.4351(3) 0.62812(17) 0.0459(12) Uani 1 1 d . . . . .
S4 S 0.33051(19) 0.4012(3) 0.47467(17) 0.0457(12) Uani 1 1 d . . . . .
S5 S 0.62021(19) 0.2432(3) 0.59680(17) 0.0437(11) Uani 1 1 d . . . . .
S6 S 0.3576(2) 0.3066(3) 0.36741(17) 0.0475(12) Uani 1 1 d . . . . .
S7 S 0.39782(19) 0.4826(3) 0.61284(17) 0.0456(12) Uani 1 1 d . . . . .
S8 S 0.6154(2) 0.3259(3) 0.46972(17) 0.0483(12) Uani 1 1 d . . . . .
S9 S 0.47644(19) 0.2177(3) 0.49170(18) 0.0470(12) Uani 1 1 d . . . . .
F1 F 0.2527(6) 0.6609(8) 0.6485(5) 0.074(4) Uani 1 1 d . . . . .
F2 F 0.1633(6) 0.1730(8) 0.3338(6) 0.077(4) Uani 1 1 d . . . . .
F3 F 0.2838(6) 0.0767(7) 0.4652(6) 0.081(5) Uani 1 1 d . . . . .
F4 F 0.3453(6) 0.0995(9) 0.5837(6) 0.088(5) Uani 1 1 d . . . . .
F5 F 0.5966(7) 0.0365(12) 0.4271(7) 0.112(6) Uani 1 1 d . U . . .
F6 F 0.5950(6) -0.0849(9) 0.5859(7) 0.095(5) Uani 1 1 d . U . . .
F7 F 0.8431(6) 0.3735(10) 0.6109(7) 0.095(6) Uani 1 1 d . . . . .
F8 F 0.8196(5) 0.3922(12) 0.4935(5) 0.088(5) Uani 1 1 d . . . . .
F9 F 0.6849(9) 0.4645(15) 0.7834(6) 0.144(10) Uani 1 1 d . . . . .
C1 C 0.6089(6) 0.1461(12) 0.5914(7) 0.042(5) Uani 1 1 d . . . . .
C2 C 0.6372(9) 0.0991(15) 0.5774(9) 0.069(8) Uani 1 1 d . . . . .
H2 H 0.660760 0.123142 0.569425 0.083 Uiso 1 1 calc R U . . .
C3 C 0.6345(9) 0.0274(14) 0.5742(9) 0.065(7) Uani 1 1 d . . . . .
H3A H 0.654893 -0.000957 0.564442 0.077 Uiso 1 1 calc R U . . .
C4 C 0.5981(10) -0.0084(13) 0.5866(11) 0.074(8) Uani 1 1 d . . . . .
C5 C 0.5721(10) 0.0274(15) 0.6035(9) 0.072(8) Uani 1 1 d . . . . .
H5 H 0.552175 0.001592 0.614825 0.087 Uiso 1 1 calc R U . . .
C6 C 0.5757(9) 0.1053(13) 0.6038(9) 0.060(6) Uani 1 1 d . . . . .
H6 H 0.554489 0.133434 0.612867 0.072 Uiso 1 1 calc R U . . .
C7 C 0.5132(8) 0.1646(12) 0.4710(7) 0.049(5) Uani 1 1 d . . . . .
C8 C 0.5281(10) 0.1894(14) 0.4410(8) 0.062(6) Uani 1 1 d . U . . .
H8 H 0.520126 0.239998 0.431731 0.075 Uiso 1 1 calc R U . . .
C9 C 0.5538(15) 0.148(2) 0.4228(13) 0.106(13) Uani 1 1 d . . . . .
H9 H 0.560384 0.164903 0.399605 0.127 Uiso 1 1 calc R U . . .
C10 C 0.5685(12) 0.080(2) 0.4420(13) 0.092(11) Uani 1 1 d . . . . .
C11 C 0.5541(13) 0.0457(18) 0.4717(10) 0.091(11) Uani 1 1 d . . . . .
H11 H 0.562844 -0.004695 0.481240 0.109 Uiso 1 1 calc R U . . .
C12 C 0.5254(13) 0.0924(17) 0.4865(10) 0.094(11) Uani 1 1 d . . . . .
H12 H 0.514700 0.073815 0.507078 0.112 Uiso 1 1 calc R U . . .
C13 C 0.7125(8) 0.4194(16) 0.6196(7) 0.060(6) Uani 1 1 d . . . . .
C14 C 0.7391(9) 0.4779(15) 0.6129(8) 0.062(6) Uani 1 1 d . . . . .
H14 H 0.726777 0.528087 0.609931 0.074 Uiso 1 1 calc R U . . .
C15 C 0.7834(8) 0.4637(16) 0.6107(9) 0.065(7) Uani 1 1 d . . . . .
H15 H 0.801757 0.504245 0.606358 0.079 Uiso 1 1 calc R U . . .
C16 C 0.8017(8) 0.3904(15) 0.6146(10) 0.069(8) Uani 1 1 d . . . . .
C17 C 0.7751(9) 0.3312(19) 0.6199(10) 0.080(9) Uani 1 1 d . . . . .
H17 H 0.786373 0.280797 0.620554 0.096 Uiso 1 1 calc R U . . .
C18 C 0.7311(9) 0.3460(12) 0.6244(8) 0.058(6) Uani 1 1 d . . . . .
H18 H 0.713856 0.305947 0.630698 0.070 Uiso 1 1 calc R U . . .
C19 C 0.6781(8) 0.3468(13) 0.4789(7) 0.049(5) Uani 1 1 d . . . . .
C20 C 0.7032(8) 0.4070(12) 0.5051(6) 0.047(5) Uani 1 1 d . . . . .
H20 H 0.687709 0.435608 0.519506 0.057 Uiso 1 1 calc R U . . .
C21 C 0.7003(8) 0.3032(12) 0.4588(7) 0.046(5) Uani 1 1 d . . . . .
H21 H 0.683350 0.261567 0.441838 0.056 Uiso 1 1 calc R U . . .
C22 C 0.7486(9) 0.3211(16) 0.4636(8) 0.061(6) Uani 1 1 d . . . . .
H22 H 0.764185 0.292646 0.449281 0.073 Uiso 1 1 calc R U . . .
C23 C 0.7726(8) 0.3801(18) 0.4891(9) 0.067(7) Uani 1 1 d . . . . .
C24 C 0.5784(8) 0.5770(14) 0.6825(7) 0.052(5) Uani 1 1 d . . . . .
C25 C 0.5801(11) 0.4932(16) 0.6851(9) 0.071(7) Uani 1 1 d . . . . .
H25 H 0.557823 0.462886 0.662890 0.085 Uiso 1 1 calc R U . . .
C26 C 0.6143(11) 0.4619(15) 0.7200(11) 0.078(9) Uani 1 1 d . . . . .
H26 H 0.613860 0.408889 0.723942 0.093 Uiso 1 1 calc R U . . .
C27 C 0.6487(11) 0.504(2) 0.7493(10) 0.089(10) Uani 1 1 d . . . . .
C28 C 0.6506(14) 0.578(2) 0.7468(12) 0.098(10) Uani 1 1 d . U . . .
H28 H 0.676965 0.605185 0.767647 0.117 Uiso 1 1 calc R U . . .
C29 C 0.6156(11) 0.6159(15) 0.7150(8) 0.072(8) Uani 1 1 d . . . . .
H29 H 0.616208 0.669555 0.714593 0.087 Uiso 1 1 calc R U . . .
C30 C 0.3541(8) 0.5410(10) 0.6203(7) 0.039(4) Uani 1 1 d . . . . .
C31 C 0.3053(7) 0.5159(13) 0.6074(7) 0.049(5) Uani 1 1 d . . . . .
H31 H 0.295311 0.470782 0.591430 0.058 Uiso 1 1 calc R U . . .
C32 C 0.2726(8) 0.5539(11) 0.6171(8) 0.049(5) Uani 1 1 d . . . . .
H32 H 0.239958 0.535342 0.608620 0.059 Uiso 1 1 calc R U . . .
C33 C 0.2862(9) 0.6184(19) 0.6388(8) 0.072(8) Uani 1 1 d . . . . .
C34 C 0.3661(8) 0.6082(13) 0.6433(9) 0.059(6) Uani 1 1 d . . . . .
H34 H 0.398164 0.628941 0.651416 0.071 Uiso 1 1 calc R U . . .
C35 C 0.3547(8) 0.2474(15) 0.4891(8) 0.058(6) Uani 1 1 d . . . . .
H35 H 0.388333 0.262693 0.500366 0.070 Uiso 1 1 calc R U . . .
C36 C 0.3435(9) 0.1734(13) 0.4872(8) 0.057(6) Uani 1 1 d . . . . .
H36 H 0.368631 0.136507 0.498841 0.068 Uiso 1 1 calc R U . . .
C37 C 0.2955(11) 0.1532(17) 0.4684(8) 0.069(7) Uani 1 1 d . . . . .
C38 C 0.2565(9) 0.2031(13) 0.4557(8) 0.053(6) Uani 1 1 d . . . . .
H38 H 0.223340 0.186192 0.446636 0.064 Uiso 1 1 calc R U . . .
C39 C 0.2680(8) 0.2786(12) 0.4569(7) 0.048(5) Uani 1 1 d . . . . .
H39 H 0.241961 0.314346 0.445557 0.058 Uiso 1 1 calc R U . . .
C40 C 0.3162(9) 0.3040(16) 0.4740(7) 0.062(7) Uani 1 1 d . . . . .
C41 C 0.3016(8) 0.2664(11) 0.3621(6) 0.043(5) Uani 1 1 d . . . . .
C42 C 0.2948(9) 0.1899(12) 0.3661(7) 0.051(5) Uani 1 1 d . . . . .
H42 H 0.323318 0.158794 0.376523 0.061 Uiso 1 1 calc R U . . .
C43 C 0.2497(10) 0.1557(13) 0.3560(7) 0.060(6) Uani 1 1 d . . . . .
H43 H 0.246734 0.102747 0.358705 0.072 Uiso 1 1 calc R U . . .
C44 C 0.2089(10) 0.2029(15) 0.3418(9) 0.067(7) Uani 1 1 d . . . . .
C45 C 0.2110(9) 0.2762(15) 0.3383(9) 0.067(7) Uani 1 1 d . . . . .
H45 H 0.181655 0.305462 0.329229 0.080 Uiso 1 1 calc R U . . .
C46 C 0.2560(10) 0.3112(15) 0.3478(9) 0.074(8) Uani 1 1 d . . . . .
H46 H 0.257394 0.364423 0.345067 0.089 Uiso 1 1 calc R U . . .
C47 C 0.4461(10) 0.2713(14) 0.6068(7) 0.060(7) Uani 1 1 d . . . . .
C48 C 0.4536(9) 0.2033(13) 0.5910(8) 0.056(6) Uani 1 1 d . . . . .
H48 H 0.482757 0.196297 0.586383 0.067 Uiso 1 1 calc R U . . .
C49 C 0.4202(12) 0.1454(12) 0.5819(9) 0.072(8) Uani 1 1 d . . . . .
H49 H 0.424330 0.098985 0.570019 0.087 Uiso 1 1 calc R U . . .
C50 C 0.3798(11) 0.1595(17) 0.5914(12) 0.089(10) Uani 1 1 d . . . . .
C51 C 0.3707(10) 0.2218(15) 0.6074(11) 0.082(10) Uani 1 1 d . . . . .
H51 H 0.342704 0.226081 0.614023 0.099 Uiso 1 1 calc R U . . .
C52 C 0.4036(9) 0.2814(15) 0.6144(8) 0.062(7) Uani 1 1 d . . . . .
H52 H 0.397341 0.328573 0.624317 0.075 Uiso 1 1 calc R U . . .
C53 C 0.3342(9) 0.6429(16) 0.6540(8) 0.066(7) Uani 1 1 d . . . . .
H53 H 0.344106 0.685298 0.672265 0.079 Uiso 1 1 calc R U . . .
C54 C 0.7513(9) 0.4245(16) 0.5100(8) 0.062(7) Uani 1 1 d . . . . .
H54 H 0.768721 0.465649 0.527059 0.075 Uiso 1 1 calc R U . . .
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'
F F 0.0171 0.0103 '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
Au6A Au1 Au6A 180.00(3) . 5_666 ?
Au6A Au1 Au3 65.50(2) . . ?
Au6A Au1 Au3 114.50(2) 5_666 . ?
Au6A Au1 Au3 114.50(2) . 5_666 ?
Au6A Au1 Au3 65.50(2) 5_666 5_666 ?
Au3 Au1 Au3 180.0 . 5_666 ?
Au6A Au1 Au4 115.21(2) . . ?
Au6A Au1 Au4 64.79(2) 5_666 . ?
Au3 Au1 Au4 62.96(2) . . ?
Au3 Au1 Au4 117.04(2) 5_666 . ?
Au6A Au1 Au4 64.79(2) . 5_666 ?
Au6A Au1 Au4 115.21(2) 5_666 5_666 ?
Au3 Au1 Au4 117.04(2) . 5_666 ?
Au3 Au1 Au4 62.96(2) 5_666 5_666 ?
Au4 Au1 Au4 180.0 . 5_666 ?
Au6A Au1 Au2A 116.14(2) . . ?
Au6A Au1 Au2A 63.86(2) 5_666 . ?
Au3 Au1 Au2A 119.16(2) . . ?
Au3 Au1 Au2A 60.84(2) 5_666 . ?
Au4 Au1 Au2A 63.94(2) . . ?
Au4 Au1 Au2A 116.06(2) 5_666 . ?
Au6A Au1 Au2A 63.86(2) . 5_666 ?
Au6A Au1 Au2A 116.13(2) 5_666 5_666 ?
Au3 Au1 Au2A 60.84(2) . 5_666 ?
Au3 Au1 Au2A 119.16(2) 5_666 5_666 ?
Au4 Au1 Au2A 116.06(2) . 5_666 ?
Au4 Au1 Au2A 63.94(2) 5_666 5_666 ?
Au2A Au1 Au2A 179.999(17) . 5_666 ?
Au6A Au1 Au7 115.59(2) . 5_666 ?
Au6A Au1 Au7 64.41(2) 5_666 5_666 ?
Au3 Au1 Au7 112.94(2) . 5_666 ?
Au3 Au1 Au7 67.06(2) 5_666 5_666 ?
Au4 Au1 Au7 118.87(2) . 5_666 ?
Au4 Au1 Au7 61.13(2) 5_666 5_666 ?
Au2A Au1 Au7 117.28(2) . 5_666 ?
Au2A Au1 Au7 62.72(2) 5_666 5_666 ?
Au6A Au1 Au7 64.41(2) . . ?
Au6A Au1 Au7 115.59(2) 5_666 . ?
Au3 Au1 Au7 67.06(2) . . ?
Au3 Au1 Au7 112.94(2) 5_666 . ?
Au4 Au1 Au7 61.12(2) . . ?
Au4 Au1 Au7 118.88(2) 5_666 . ?
Au2A Au1 Au7 62.72(2) . . ?
Au2A Au1 Au7 117.28(2) 5_666 . ?
Au7 Au1 Au7 180.00(3) 5_666 . ?
Au6A Au1 Au5 119.32(2) . . ?
Au6A Au1 Au5 60.68(2) 5_666 . ?
Au3 Au1 Au5 62.90(2) . . ?
Au3 Au1 Au5 117.10(2) 5_666 . ?
Au4 Au1 Au5 64.64(2) . . ?
Au4 Au1 Au5 115.36(2) 5_666 . ?
Au2A Au1 Au5 115.56(2) . . ?
Au2A Au1 Au5 64.44(2) 5_666 . ?
Au7 Au1 Au5 62.11(2) 5_666 . ?
Au7 Au1 Au5 117.89(2) . . ?
Au6A Au1 Au5 60.68(2) . 5_666 ?
Au6A Au1 Au5 119.32(2) 5_666 5_666 ?
Au3 Au1 Au5 117.10(2) . 5_666 ?
Au3 Au1 Au5 62.90(2) 5_666 5_666 ?
Au4 Au1 Au5 115.36(2) . 5_666 ?
Au4 Au1 Au5 64.64(2) 5_666 5_666 ?
Au2A Au1 Au5 64.44(2) . 5_666 ?
Au2A Au1 Au5 115.56(2) 5_666 5_666 ?
Au7 Au1 Au5 117.89(2) 5_666 5_666 ?
Au7 Au1 Au5 62.11(2) . 5_666 ?
Au5 Au1 Au5 180.000(19) . 5_666 ?
S8 Au2A Au1 150.41(14) . . ?
S8 Au2A Au3 145.88(14) . 5_666 ?
Au1 Au2A Au3 59.01(2) . 5_666 ?
S8 Au2A Au7 105.48(13) . . ?
Au1 Au2A Au7 58.66(2) . . ?
Au3 Au2A Au7 108.09(3) 5_666 . ?
S8 Au2A Au6A 112.74(14) . 5_666 ?
Au1 Au2A Au6A 57.42(2) . 5_666 ?
Au3 Au2A Au6A 62.51(3) 5_666 5_666 ?
Au7 Au2A Au6A 106.96(3) . 5_666 ?
S8 Au2A Au4 92.71(14) . . ?
Au1 Au2A Au4 57.81(2) . . ?
Au3 Au2A Au4 110.12(3) 5_666 . ?
Au7 Au2A Au4 57.86(3) . . ?
Au6A Au2A Au4 60.50(3) 5_666 . ?
S8 Au2A Au5 138.78(14) . 5_666 ?
Au1 Au2A Au5 58.08(2) . 5_666 ?
Au3 Au2A Au5 60.08(3) 5_666 5_666 ?
Au7 Au2A Au5 58.73(3) . 5_666 ?
Au6A Au2A Au5 108.40(3) 5_666 5_666 ?
Au4 Au2A Au5 105.43(3) . 5_666 ?
S8 Au2A Au10 83.87(13) . 5_666 ?
Au1 Au2A Au10 109.43(3) . 5_666 ?
Au3 Au2A Au10 63.87(3) 5_666 5_666 ?
Au7 Au2A Au10 167.78(3) . 5_666 ?
Au6A Au2A Au10 61.53(3) 5_666 5_666 ?
Au4 Au2A Au10 114.77(3) . 5_666 ?
Au5 Au2A Au10 118.98(3) 5_666 5_666 ?
S8 Au2A Au9 97.61(14) . 5_666 ?
Au1 Au2A Au9 111.52(3) . 5_666 ?
Au3 Au2A Au9 63.23(3) 5_666 5_666 ?
Au7 Au2A Au9 113.75(3) . 5_666 ?
Au6A Au2A Au9 119.35(3) 5_666 5_666 ?
Au4 Au2A Au9 168.38(4) . 5_666 ?
Au5 Au2A Au9 63.15(3) 5_666 5_666 ?
Au10 Au2A Au9 71.85(3) 5_666 5_666 ?
S8 Au2A Au11 45.74(13) . . ?
Au1 Au2A Au11 109.15(3) . . ?
Au3 Au2A Au11 168.06(4) 5_666 . ?
Au7 Au2A Au11 61.25(3) . . ?
Au6A Au2A Au11 113.73(3) 5_666 . ?
Au4 Au2A Au11 60.40(3) . . ?
Au5 Au2A Au11 113.61(3) 5_666 . ?
Au10 Au2A Au11 125.58(3) 5_666 . ?
Au9 Au2A Au11 124.64(3) 5_666 . ?
S1 Au6A Au1 158.26(13) . . ?
S1 Au6A Au5 140.73(13) . 5_666 ?
Au1 Au6A Au5 60.67(2) . 5_666 ?
S1 Au6A Au2A 101.36(13) . 5_666 ?
Au1 Au6A Au2A 58.71(2) . 5_666 ?
Au5 Au6A Au2A 111.20(3) 5_666 5_666 ?
S1 Au6A Au7 129.24(13) . . ?
Au1 Au6A Au7 58.45(2) . . ?
Au5 Au6A Au7 60.11(3) 5_666 . ?
Au2A Au6A Au7 108.16(3) 5_666 . ?
S1 Au6A Au4 122.21(13) . 5_666 ?
Au1 Au6A Au4 58.02(2) . 5_666 ?
Au5 Au6A Au4 62.27(3) 5_666 5_666 ?
Au2A Au6A Au4 60.02(3) 5_666 5_666 ?
Au7 Au6A Au4 108.29(3) . 5_666 ?
S1 Au6A Au3 105.75(12) . . ?
Au1 Au6A Au3 57.35(2) . . ?
Au5 Au6A Au3 110.18(3) 5_666 . ?
Au2A Au6A Au3 56.74(3) 5_666 . ?
Au7 Au6A Au3 62.19(3) . . ?
Au4 Au6A Au3 105.18(3) 5_666 . ?
S1 Au6A Au3C 84.71(13) . . ?
Au1 Au6A Au3C 114.48(3) . . ?
Au5 Au6A Au3C 65.22(3) 5_666 . ?
Au2A Au6A Au3C 172.27(4) 5_666 . ?
Au7 Au6A Au3C 64.12(3) . . ?
Au4 Au6A Au3C 120.74(3) 5_666 . ?
Au3 Au6A Au3C 117.20(3) . . ?
S1 Au6A Au10 48.13(12) . . ?
Au1 Au6A Au10 110.47(3) . . ?
Au5 Au6A Au10 171.13(4) 5_666 . ?
Au2A Au6A Au10 61.51(3) 5_666 . ?
Au7 Au6A Au10 115.95(3) . . ?
Au4 Au6A Au10 114.34(3) 5_666 . ?
Au3 Au6A Au10 62.01(3) . . ?
Au3C Au6A Au10 121.31(3) . . ?
S1 Au6A Au13 85.03(12) . 5_666 ?
Au1 Au6A Au13 110.18(3) . 5_666 ?
Au5 Au6A Au13 62.21(3) 5_666 5_666 ?
Au2A Au6A Au13 114.19(3) 5_666 5_666 ?
Au7 Au6A Au13 117.05(3) . 5_666 ?
Au4 Au6A Au13 61.87(3) 5_666 5_666 ?
Au3 Au6A Au13 166.70(4) . 5_666 ?
Au3C Au6A Au13 70.81(3) . 5_666 ?
Au10 Au6A Au13 124.48(3) . 5_666 ?
S6 Au3C S3 171.9(2) 5_666 . ?
S6 Au3C Au6A 84.79(14) 5_666 . ?
S3 Au3C Au6A 100.17(13) . . ?
S6 Au3C Au5 91.19(14) 5_666 5_666 ?
S3 Au3C Au5 96.93(14) . 5_666 ?
Au6A Au3C Au5 53.94(2) . 5_666 ?
S6 Au3C Au7 138.11(14) 5_666 . ?
S3 Au3C Au7 49.06(13) . . ?
Au6A Au3C Au7 56.71(2) . . ?
Au5 Au3C Au7 54.27(2) 5_666 . ?
Au10 Au2B Au6B 85.9(18) 5_666 5_666 ?
Au10 Au2B S8 103.2(17) 5_666 . ?
Au6B Au2B S8 101.2(17) 5_666 . ?
Au10 Au2B Au3 81.7(14) 5_666 5_666 ?
S8 Au2B Au3 160.0(19) . 5_666 ?
Au10 Au2B Au9 84.3(12) 5_666 5_666 ?
S8 Au2B Au9 95.2(12) . 5_666 ?
Au3 Au2B Au9 65.7(9) 5_666 5_666 ?
Au10 Au2B Au1 128.1(16) 5_666 . ?
Au6B Au2B Au1 71.9(13) 5_666 . ?
S8 Au2B Au1 126.4(17) . . ?
Au3 Au2B Au1 57.3(8) 5_666 . ?
Au9 Au2B Au1 103.2(13) 5_666 . ?
Au10 Au2B Au4 134.6(17) 5_666 . ?
Au6B Au2B Au4 49.1(11) 5_666 . ?
S8 Au2B Au4 83.2(11) . . ?
Au3 Au2B Au4 107.3(13) 5_666 . ?
Au9 Au2B Au4 140.6(17) 5_666 . ?
Au1 Au2B Au4 51.4(7) . . ?
S1 Au6B Au13 107.7(14) . 5_666 ?
S1 Au6B Au2B 89.1(17) . 5_666 ?
Au13 Au6B Au2B 158(2) 5_666 5_666 ?
S1 Au6B Au4 166(2) . 5_666 ?
Au13 Au6B Au4 78.7(11) 5_666 5_666 ?
S1 Au6B Au3D 87.6(16) . . ?
Au13 Au6B Au3D 71.6(13) 5_666 . ?
Au2B Au6B Au3D 125(2) 5_666 . ?
Au4 Au6B Au3D 106.5(16) 5_666 . ?
S1 Au6B Au5 131.3(17) . 5_666 ?
Au13 Au6B Au5 65.8(8) 5_666 5_666 ?
Au4 Au6B Au5 62.7(8) 5_666 5_666 ?
S1 Au6B Au10 46.2(7) . . ?
Au13 Au6B Au10 152.4(14) 5_666 . ?
Au2B Au6B Au10 43.0(12) 5_666 . ?
Au4 Au6B Au10 124.7(13) 5_666 . ?
Au3D Au6B Au10 109.8(15) . . ?
Au5 Au6B Au10 135.0(14) 5_666 . ?
S1 Au6B Au1 129.8(16) . . ?
Au13 Au6B Au1 112.7(12) 5_666 . ?
Au2B Au6B Au1 62.5(13) 5_666 . ?
Au4 Au6B Au1 54.6(7) 5_666 . ?
Au3D Au6B Au1 78.4(13) . . ?
Au5 Au6B Au1 51.3(6) 5_666 . ?
Au10 Au6B Au1 94.1(10) . . ?
Au5 Au3D S6 111.6(17) 5_666 5_666 ?
Au5 Au3D Au7 73.0(12) 5_666 . ?
S6 Au3D Au7 173.2(19) 5_666 . ?
Au5 Au3D S3 115.1(16) 5_666 . ?
S6 Au3D S3 124.7(17) 5_666 . ?
Au7 Au3D S3 54.6(8) . . ?
Au5 Au3D Au6B 77.4(15) 5_666 . ?
S6 Au3D Au6B 80.1(14) 5_666 . ?
Au7 Au3D Au6B 96.5(16) . . ?
S3 Au3D Au6B 137.3(18) . . ?
Au5 Au3D Au13 69.7(11) 5_666 5_666 ?
S6 Au3D Au13 47.3(7) 5_666 5_666 ?
Au7 Au3D Au13 133.9(16) . 5_666 ?
S3 Au3D Au13 171.1(17) . 5_666 ?
S2 Au3 Au2B 127.3(10) . 5_666 ?
S2 Au3 Au1 156.85(12) . . ?
Au2B Au3 Au1 71.6(10) 5_666 . ?
S2 Au3 Au2A 141.75(13) . 5_666 ?
Au1 Au3 Au2A 60.16(2) . 5_666 ?
S2 Au3 Au4 104.47(13) . . ?
Au2B Au3 Au4 128.2(10) 5_666 . ?
Au1 Au3 Au4 58.85(2) . . ?
Au2A Au3 Au4 111.91(3) 5_666 . ?
S2 Au3 Au5 130.21(14) . . ?
Au2B Au3 Au5 81.1(11) 5_666 . ?
Au1 Au3 Au5 59.41(2) . . ?
Au2A Au3 Au5 62.97(3) 5_666 . ?
Au4 Au3 Au5 62.04(3) . . ?
S2 Au3 Au6A 120.47(14) . . ?
Au1 Au3 Au6A 57.15(2) . . ?
Au2A Au3 Au6A 60.75(3) 5_666 . ?
Au4 Au3 Au6A 105.33(3) . . ?
Au5 Au3 Au6A 109.25(3) . . ?
S2 Au3 Au7 101.04(13) . . ?
Au2B Au3 Au7 108.3(9) 5_666 . ?
Au1 Au3 Au7 57.00(2) . . ?
Au2A Au3 Au7 108.38(3) 5_666 . ?
Au4 Au3 Au7 56.68(2) . . ?
Au5 Au3 Au7 106.92(3) . . ?
Au6A Au3 Au7 58.48(2) . . ?
S2 Au3 Au9 89.59(13) . . ?
Au2B Au3 Au9 65.7(9) 5_666 . ?
Au1 Au3 Au9 112.21(3) . . ?
Au2A Au3 Au9 62.94(3) 5_666 . ?
Au4 Au3 Au9 118.96(3) . . ?
Au5 Au3 Au9 63.93(3) . . ?
Au6A Au3 Au9 117.55(3) . . ?
Au7 Au3 Au9 169.20(4) . . ?
S2 Au3 Au8 47.77(12) . . ?
Au2B Au3 Au8 156.8(11) 5_666 . ?
Au1 Au3 Au8 109.33(3) . . ?
Au2A Au3 Au8 166.99(3) 5_666 . ?
Au4 Au3 Au8 63.60(3) . . ?
Au5 Au3 Au8 120.00(3) . . ?
Au6A Au3 Au8 107.68(3) . . ?
Au7 Au3 Au8 58.70(2) . . ?
Au9 Au3 Au8 130.07(3) . . ?
S2 Au3 Au10 84.76(13) . . ?
Au2B Au3 Au10 44.2(11) 5_666 . ?
Au1 Au3 Au10 108.99(3) . . ?
Au2A Au3 Au10 62.18(3) 5_666 . ?
Au4 Au3 Au10 165.79(3) . . ?
Au5 Au3 Au10 120.06(3) . . ?
Au6A Au3 Au10 60.47(2) . . ?
Au7 Au3 Au10 111.46(3) . . ?
Au9 Au3 Au10 71.13(3) . . ?
Au8 Au3 Au10 118.98(3) . . ?
S9 Au4 Au6B 88.5(9) . 5_666 ?
S9 Au4 Au1 154.82(13) . . ?
Au6B Au4 Au1 78.1(9) 5_666 . ?
S9 Au4 Au7 143.74(14) . . ?
Au6B Au4 Au7 122.1(9) 5_666 . ?
Au1 Au4 Au7 59.69(2) . . ?
S9 Au4 Au3 116.34(14) . . ?
Au6B Au4 Au3 124.2(10) 5_666 . ?
Au1 Au4 Au3 58.19(2) . . ?
Au7 Au4 Au3 64.78(3) . . ?
S9 Au4 Au2A 133.59(14) . . ?
Au1 Au4 Au2A 58.25(2) . . ?
Au7 Au4 Au2A 60.31(3) . . ?
Au3 Au4 Au2A 110.06(3) . . ?
S9 Au4 Au6A 106.36(14) . 5_666 ?
Au1 Au4 Au6A 57.19(2) . 5_666 ?
Au7 Au4 Au6A 108.09(3) . 5_666 ?
Au3 Au4 Au6A 104.69(3) . 5_666 ?
Au2A Au4 Au6A 59.47(3) . 5_666 ?
S9 Au4 Au5 97.22(13) . . ?
Au6B Au4 Au5 69.1(9) 5_666 . ?
Au1 Au4 Au5 58.19(2) . . ?
Au7 Au4 Au5 111.06(3) . . ?
Au3 Au4 Au5 59.21(3) . . ?
Au2A Au4 Au5 105.92(3) . . ?
Au6A Au4 Au5 56.36(2) 5_666 . ?
S9 Au4 Au11 91.78(13) . . ?
Au6B Au4 Au11 105.7(9) 5_666 . ?
Au1 Au4 Au11 112.20(3) . . ?
Au7 Au4 Au11 63.19(3) . . ?
Au3 Au4 Au11 121.27(3) . . ?
Au2A Au4 Au11 63.59(3) . . ?
Au6A Au4 Au11 115.61(3) 5_666 . ?
Au5 Au4 Au11 169.39(4) . . ?
S9 Au4 Au13 46.99(14) . . ?
Au6B Au4 Au13 50.1(8) 5_666 . ?
Au1 Au4 Au13 109.67(3) . . ?
Au7 Au4 Au13 169.25(4) . . ?
Au3 Au4 Au13 112.03(3) . . ?
Au2A Au4 Au13 113.90(3) . . ?
Au6A Au4 Au13 62.08(3) 5_666 . ?
Au5 Au4 Au13 60.53(2) . . ?
Au11 Au4 Au13 123.85(3) . . ?
S9 Au4 Au8 87.45(14) . . ?
Au6B Au4 Au8 174.0(10) 5_666 . ?
Au1 Au4 Au8 107.34(3) . . ?
Au7 Au4 Au8 60.33(3) . . ?
Au3 Au4 Au8 61.71(3) . . ?
Au2A Au4 Au8 115.93(3) . . ?
Au6A Au4 Au8 164.42(3) 5_666 . ?
Au5 Au4 Au8 115.78(3) . . ?
Au11 Au4 Au8 70.09(3) . . ?
Au13 Au4 Au8 128.31(3) . . ?
S9 Au4 Au2B 123.8(8) . . ?
Au6B Au4 Au2B 49.0(12) 5_666 . ?
Au1 Au4 Au2B 61.1(7) . . ?
Au7 Au4 Au2B 75.4(8) . . ?
Au3 Au4 Au2B 118.0(8) . . ?
Au5 Au4 Au2B 98.1(7) . . ?
Au11 Au4 Au2B 72.1(7) . . ?
Au13 Au4 Au2B 98.5(8) . . ?
Au8 Au4 Au2B 131.0(8) . . ?
Au3D Au5 S4 97.2(11) 5_666 . ?
Au3D Au5 Au1 99.8(11) 5_666 . ?
S4 Au5 Au1 151.86(14) . . ?
S4 Au5 Au6A 145.82(14) . 5_666 ?
Au1 Au5 Au6A 58.65(2) . 5_666 ?
S4 Au5 Au7 113.52(14) . 5_666 ?
Au1 Au5 Au7 58.65(2) . 5_666 ?
Au6A Au5 Au7 62.44(3) 5_666 5_666 ?
Au3D Au5 Au3 157.0(11) 5_666 . ?
S4 Au5 Au3 105.26(13) . . ?
Au1 Au5 Au3 57.69(2) . . ?
Au6A Au5 Au3 108.37(3) 5_666 . ?
Au7 Au5 Au3 105.96(3) 5_666 . ?
S4 Au5 Au2A 94.74(14) . 5_666 ?
Au1 Au5 Au2A 57.48(2) . 5_666 ?
Au6A Au5 Au2A 108.49(3) 5_666 5_666 ?
Au7 Au5 Au2A 59.24(3) 5_666 5_666 ?
Au3 Au5 Au2A 56.96(3) . 5_666 ?
Au3D Au5 Au4 107.0(11) 5_666 . ?
S4 Au5 Au4 136.99(14) . . ?
Au1 Au5 Au4 57.17(2) . . ?
Au6A Au5 Au4 61.38(3) 5_666 . ?
Au7 Au5 Au4 109.38(3) 5_666 . ?
Au3 Au5 Au4 58.75(3) . . ?
Au2A Au5 Au4 104.54(3) 5_666 . ?
Au3D Au5 Au13 67.9(11) 5_666 . ?
S4 Au5 Au13 96.77(14) . . ?
Au1 Au5 Au13 110.35(3) . . ?
Au6A Au5 Au13 64.39(3) 5_666 . ?
Au7 Au5 Au13 121.09(3) 5_666 . ?
Au3 Au5 Au13 113.20(3) . . ?
Au2A Au5 Au13 166.71(3) 5_666 . ?
Au4 Au5 Au13 62.34(3) . . ?
S4 Au5 Au6B 140.2(7) . 5_666 ?
Au1 Au5 Au6B 67.9(7) . 5_666 ?
Au6A Au5 Au6B 20.5(7) 5_666 5_666 ?
Au7 Au5 Au6B 82.9(7) 5_666 5_666 ?
Au3 Au5 Au6B 104.2(7) . 5_666 ?
Au2A Au5 Au6B 123.9(7) 5_666 5_666 ?
Au4 Au5 Au6B 48.2(7) . 5_666 ?
Au13 Au5 Au6B 46.5(7) . 5_666 ?
S4 Au5 Au3C 86.47(13) . 5_666 ?
Au1 Au5 Au3C 109.29(3) . 5_666 ?
Au6A Au5 Au3C 60.84(3) 5_666 5_666 ?
Au7 Au5 Au3C 63.30(3) 5_666 5_666 ?
Au3 Au5 Au3C 166.98(3) . 5_666 ?
Au2A Au5 Au3C 117.41(3) 5_666 5_666 ?
Au4 Au5 Au3C 116.11(3) . 5_666 ?
Au13 Au5 Au3C 70.04(3) . 5_666 ?
Au3D Au5 Au9 138.6(11) 5_666 . ?
S4 Au5 Au9 46.25(13) . . ?
Au1 Au5 Au9 108.52(3) . . ?
Au6A Au5 Au9 167.16(4) 5_666 . ?
Au7 Au5 Au9 111.63(3) 5_666 . ?
Au3 Au5 Au9 61.12(3) . . ?
Au2A Au5 Au9 60.17(2) 5_666 . ?
Au4 Au5 Au9 113.61(3) . . ?
Au13 Au5 Au9 125.27(3) . . ?
Au6B Au5 Au9 161.1(7) 5_666 . ?
Au3C Au5 Au9 128.34(3) 5_666 . ?
S3 Au7 Au3D 63.9(10) . . ?
S3 Au7 Au1 155.36(14) . . ?
Au3D Au7 Au1 91.7(10) . . ?
S3 Au7 Au4 144.68(14) . . ?
Au3D Au7 Au4 150.6(10) . . ?
Au1 Au7 Au4 59.19(2) . . ?
S3 Au7 Au5 102.01(13) . 5_666 ?
Au1 Au7 Au5 59.24(2) . 5_666 ?
Au4 Au7 Au5 111.21(3) . 5_666 ?
S3 Au7 Au2A 129.88(13) . . ?
Au1 Au7 Au2A 58.62(2) . . ?
Au4 Au7 Au2A 61.83(3) . . ?
Au5 Au7 Au2A 62.02(3) 5_666 . ?
S3 Au7 Au6A 100.08(14) . . ?
Au1 Au7 Au6A 57.14(2) . . ?
Au4 Au7 Au6A 107.56(3) . . ?
Au5 Au7 Au6A 57.45(3) 5_666 . ?
Au2A Au7 Au6A 106.78(3) . . ?
S3 Au7 Au8 84.63(13) . . ?
Au3D Au7 Au8 129.7(9) . . ?
Au1 Au7 Au8 110.93(3) . . ?
Au4 Au7 Au8 65.41(3) . . ?
Au5 Au7 Au8 167.05(4) 5_666 . ?
Au2A Au7 Au8 121.89(3) . . ?
Au6A Au7 Au8 110.73(3) . . ?
S3 Au7 Au3 123.61(13) . . ?
Au3D Au7 Au3 103.4(9) . . ?
Au1 Au7 Au3 55.94(2) . . ?
Au4 Au7 Au3 58.54(3) . . ?
Au5 Au7 Au3 105.75(3) 5_666 . ?
Au2A Au7 Au3 106.49(3) . . ?
Au6A Au7 Au3 59.32(2) . . ?
Au8 Au7 Au3 61.54(3) . . ?
S3 Au7 Au11 91.47(14) . . ?
Au3D Au7 Au11 141.4(9) . . ?
Au1 Au7 Au11 111.21(3) . . ?
Au4 Au7 Au11 62.48(3) . . ?
Au5 Au7 Au11 118.73(3) 5_666 . ?
Au2A Au7 Au11 63.81(3) . . ?
Au6A Au7 Au11 168.35(4) . . ?
Au8 Au7 Au11 71.68(3) . . ?
Au3 Au7 Au11 115.17(3) . . ?
S3 Au7 Au3C 46.43(13) . . ?
Au1 Au7 Au3C 109.06(3) . . ?
Au4 Au7 Au3C 166.72(4) . . ?
Au5 Au7 Au3C 62.43(3) 5_666 . ?
Au2A Au7 Au3C 119.13(3) . . ?
Au6A Au7 Au3C 59.17(3) . . ?
Au8 Au7 Au3C 117.90(3) . . ?
Au3 Au7 Au3C 110.58(3) . . ?
Au11 Au7 Au3C 130.62(3) . . ?
S5 Au8 S2 170.04(19) . . ?
S5 Au8 Au7 83.91(13) . . ?
S2 Au8 Au7 103.98(13) . . ?
S5 Au8 Au3 139.78(14) . . ?
S2 Au8 Au3 49.97(12) . . ?
Au7 Au8 Au3 59.77(2) . . ?
S5 Au8 Au4 91.18(14) . . ?
S2 Au8 Au4 98.36(13) . . ?
Au7 Au8 Au4 54.25(2) . . ?
Au3 Au8 Au4 54.69(2) . . ?
S7 Au9 S4 175.69(18) . . ?
S7 Au9 Au2A 90.26(13) . 5_666 ?
S4 Au9 Au2A 93.55(13) . 5_666 ?
S7 Au9 Au3 82.47(13) . . ?
S4 Au9 Au3 101.42(13) . . ?
Au2A Au9 Au3 53.83(2) 5_666 . ?
S7 Au9 Au2B 74.2(9) . 5_666 ?
S4 Au9 Au2B 109.8(9) . 5_666 ?
Au2A Au9 Au2B 16.7(9) 5_666 5_666 ?
Au3 Au9 Au2B 48.5(7) . 5_666 ?
S7 Au9 Au5 135.76(13) . . ?
S4 Au9 Au5 48.48(12) . . ?
Au2A Au9 Au5 56.68(2) 5_666 . ?
Au3 Au9 Au5 54.95(2) . . ?
Au2B Au9 Au5 68.8(9) 5_666 . ?
Au2B Au10 S7 95.4(11) 5_666 . ?
Au2B Au10 S1 95.1(11) 5_666 . ?
S7 Au10 S1 169.43(19) . . ?
S7 Au10 Au2A 91.03(14) . 5_666 ?
S1 Au10 Au2A 99.54(13) . 5_666 ?
S7 Au10 Au6A 138.02(14) . . ?
S1 Au10 Au6A 50.72(12) . . ?
Au2A Au10 Au6A 56.96(2) 5_666 . ?
Au2B Au10 Au3 54.1(10) 5_666 . ?
S7 Au10 Au3 82.28(14) . . ?
S1 Au10 Au3 103.92(12) . . ?
Au2A Au10 Au3 53.95(2) 5_666 . ?
Au6A Au10 Au3 57.52(2) . . ?
Au2B Au10 Au6B 51.0(12) 5_666 . ?
S7 Au10 Au6B 146.2(7) . . ?
S1 Au10 Au6B 44.3(7) . . ?
Au3 Au10 Au6B 74.5(7) . . ?
S8 Au11 S5 174.76(19) . . ?
S8 Au11 Au4 91.40(14) . . ?
S5 Au11 Au4 93.42(13) . . ?
S8 Au11 Au7 102.28(14) . . ?
S5 Au11 Au7 82.24(13) . . ?
Au4 Au11 Au7 54.32(2) . . ?
S8 Au11 Au2A 48.79(13) . . ?
S5 Au11 Au2A 136.20(13) . . ?
Au4 Au11 Au2A 56.01(2) . . ?
Au7 Au11 Au2A 54.94(2) . . ?
S6 Au13 S9 171.35(19) . . ?
S6 Au13 Au6B 91.3(9) . 5_666 ?
S9 Au13 Au6B 91.0(9) . 5_666 ?
S6 Au13 Au3D 54.2(8) . 5_666 ?
S9 Au13 Au3D 133.5(8) . 5_666 ?
S6 Au13 Au5 92.80(14) . . ?
S9 Au13 Au5 95.79(14) . . ?
Au6B Au13 Au5 67.7(9) 5_666 . ?
Au3D Au13 Au5 42.5(8) 5_666 . ?
S6 Au13 Au4 137.29(14) . . ?
S9 Au13 Au4 48.83(14) . . ?
Au6B Au13 Au4 51.2(8) 5_666 . ?
Au3D Au13 Au4 85.5(8) 5_666 . ?
Au5 Au13 Au4 57.13(2) . . ?
S6 Au13 Au6A 82.08(14) . 5_666 ?
S9 Au13 Au6A 102.30(14) . 5_666 ?
Au5 Au13 Au6A 53.40(2) . 5_666 ?
Au4 Au13 Au6A 56.04(2) . 5_666 ?
C24 S1 Au6B 131.2(13) . . ?
C24 S1 Au10 103.3(8) . . ?
Au6B S1 Au10 89.5(10) . . ?
C24 S1 Au6A 107.9(8) . . ?
Au10 S1 Au6A 81.16(16) . . ?
C47 S2 Au8 104.1(8) . . ?
C47 S2 Au3 114.1(8) . . ?
Au8 S2 Au3 82.26(16) . . ?
C13 S3 Au3C 105.0(9) . . ?
C13 S3 Au7 113.5(8) . . ?
Au3C S3 Au7 84.51(18) . . ?
C13 S3 Au3D 111.0(13) . . ?
Au7 S3 Au3D 61.5(9) . . ?
C40 S4 Au9 109.6(8) . . ?
C40 S4 Au5 112.5(8) . . ?
Au9 S4 Au5 85.27(17) . . ?
C1 S5 Au11 107.7(8) . . ?
C1 S5 Au8 108.0(7) . . ?
Au11 S5 Au8 102.1(2) . . ?
C41 S6 Au13 107.3(7) . . ?
C41 S6 Au3C 108.9(7) . 5_666 ?
Au13 S6 Au3C 102.8(2) . 5_666 ?
C41 S6 Au3D 120.1(12) . 5_666 ?
Au13 S6 Au3D 78.5(10) . 5_666 ?
Au3C S6 Au3D 24.6(10) 5_666 5_666 ?
C30 S7 Au10 107.9(7) . . ?
C30 S7 Au9 109.1(7) . . ?
Au10 S7 Au9 104.0(2) . . ?
C19 S8 Au11 107.4(7) . . ?
C19 S8 Au2A 113.0(8) . . ?
Au11 S8 Au2A 85.47(17) . . ?
C19 S8 Au2B 117.3(12) . . ?
Au11 S8 Au2B 102.9(11) . . ?
C7 S9 Au13 103.1(7) . . ?
C7 S9 Au4 108.9(8) . . ?
Au13 S9 Au4 84.17(18) . . ?
C2 C1 C6 113(2) . . ?
C2 C1 S5 120.3(18) . . ?
C6 C1 S5 126.4(17) . . ?
C3 C2 C1 126(3) . . ?
C2 C3 C4 116(2) . . ?
C5 C4 F6 116(2) . . ?
C5 C4 C3 124(2) . . ?
F6 C4 C3 119(2) . . ?
C4 C5 C6 115(2) . . ?
C5 C6 C1 124(2) . . ?
C8 C7 C12 119(2) . . ?
C8 C7 S9 125.3(18) . . ?
C12 C7 S9 116(2) . . ?
C7 C8 C9 126(3) . . ?
C10 C9 C8 112(3) . . ?
C9 C10 F5 115(3) . . ?
C9 C10 C11 128(3) . . ?
F5 C10 C11 117(3) . . ?
C10 C11 C12 115(3) . . ?
C7 C12 C11 120(3) . . ?
C14 C13 C18 120(2) . . ?
C14 C13 S3 122(2) . . ?
C18 C13 S3 117.8(19) . . ?
C15 C14 C13 120(2) . . ?
C14 C15 C16 121(2) . . ?
F7 C16 C17 117(2) . . ?
F7 C16 C15 123(2) . . ?
C17 C16 C15 120(2) . . ?
C16 C17 C18 119(3) . . ?
C13 C18 C17 120(2) . . ?
C21 C19 C20 121(2) . . ?
C21 C19 S8 118.1(17) . . ?
C20 C19 S8 120.6(18) . . ?
C54 C20 C19 119(2) . . ?
C19 C21 C22 119(2) . . ?
C23 C22 C21 119(2) . . ?
F8 C23 C22 116(2) . . ?
F8 C23 C54 121(3) . . ?
C22 C23 C54 123(2) . . ?
C29 C24 C25 117(2) . . ?
C29 C24 S1 119(2) . . ?
C25 C24 S1 124.0(19) . . ?
C26 C25 C24 117(3) . . ?
C27 C26 C25 122(3) . . ?
C28 C27 C26 123(3) . . ?
C28 C27 F9 120(3) . . ?
C26 C27 F9 117(3) . . ?
C27 C28 C29 121(3) . . ?
C28 C29 C24 121(3) . . ?
C34 C30 C31 116.2(18) . . ?
C34 C30 S7 123.7(16) . . ?
C31 C30 S7 119.7(15) . . ?
C32 C31 C30 122(2) . . ?
C31 C32 C33 119(2) . . ?
C32 C33 C53 121(2) . . ?
C32 C33 F1 121(2) . . ?
C53 C33 F1 118(3) . . ?
C53 C34 C30 121(2) . . ?
C36 C35 C40 121(2) . . ?
C35 C36 C37 118(2) . . ?
C36 C37 C38 125(3) . . ?
C36 C37 F3 119(3) . . ?
C38 C37 F3 117(2) . . ?
C39 C38 C37 117(2) . . ?
C38 C39 C40 122(2) . . ?
C39 C40 C35 117(2) . . ?
C39 C40 S4 121(2) . . ?
C35 C40 S4 121.2(17) . . ?
C42 C41 C46 114(2) . . ?
C42 C41 S6 124.0(17) . . ?
C46 C41 S6 121.4(16) . . ?
C43 C42 C41 125(2) . . ?
C42 C43 C44 116(2) . . ?
C45 C44 F2 116(2) . . ?
C45 C44 C43 124(2) . . ?
F2 C44 C43 119(2) . . ?
C44 C45 C46 120(3) . . ?
C45 C46 C41 120(2) . . ?
C48 C47 C52 119(2) . . ?
C48 C47 S2 122.5(18) . . ?
C52 C47 S2 118.1(19) . . ?
C49 C48 C47 122(2) . . ?
C48 C49 C50 115(2) . . ?
C51 C50 C49 127(3) . . ?
C51 C50 F4 117(2) . . ?
C49 C50 F4 117(3) . . ?
C50 C51 C52 118(2) . . ?
C51 C52 C47 119(2) . . ?
C34 C53 C33 120(3) . . ?
C23 C54 C20 118(2) . . ?
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 Au6A 2.7534(8) . ?
Au1 Au6A 2.7534(8) 5_666 ?
Au1 Au3 2.7596(7) . ?
Au1 Au3 2.7596(7) 5_666 ?
Au1 Au4 2.7790(8) . ?
Au1 Au4 2.7790(8) 5_666 ?
Au1 Au2A 2.7923(7) . ?
Au1 Au2A 2.7923(7) 5_666 ?
Au1 Au7 2.7934(8) 5_666 ?
Au1 Au7 2.7934(8) . ?
Au1 Au5 2.8106(7) . ?
Au1 Au5 2.8107(7) 5_666 ?
Au2A S8 2.405(5) . ?
Au2A Au3 2.8113(11) 5_666 ?
Au2A Au7 2.9068(12) . ?
Au2A Au6A 2.9334(11) 5_666 ?
Au2A Au4 2.9498(11) . ?
Au2A Au5 2.9873(11) 5_666 ?
Au2A Au10 3.0754(12) 5_666 ?
Au2A Au9 3.1011(11) 5_666 ?
Au2A Au11 3.1864(11) . ?
Au6A S1 2.410(5) . ?
Au6A Au5 2.8110(10) 5_666 ?
Au6A Au7 2.9563(11) . ?
Au6A Au4 2.9639(11) 5_666 ?
Au6A Au3 2.9825(11) . ?
Au6A Au3C 3.0368(11) . ?
Au6A Au10 3.0762(11) . ?
Au6A Au13 3.1576(11) 5_666 ?
Au3C S6 2.298(6) 5_666 ?
Au3C S3 2.316(6) . ?
Au3C Au5 3.1574(11) 5_666 ?
Au3C Au7 3.1819(11) . ?
Au2B Au10 2.20(5) 5_666 ?
Au2B Au6B 2.50(5) 5_666 ?
Au2B S8 2.51(4) . ?
Au2B Au3 2.55(4) 5_666 ?
Au2B Au9 3.11(4) 5_666 ?
Au2B Au4 3.29(4) . ?
Au6B S1 2.24(4) . ?
Au6B Au13 2.46(4) 5_666 ?
Au6B Au4 2.51(4) 5_666 ?
Au6B Au3D 2.75(6) . ?
Au6B Au5 3.14(4) 5_666 ?
Au6B Au10 3.21(4) . ?
Au3D Au5 2.23(4) 5_666 ?
Au3D S6 2.53(4) 5_666 ?
Au3D Au7 2.60(4) . ?
Au3D S3 2.66(4) . ?
Au3D Au13 3.06(4) 5_666 ?
Au3 S2 2.412(5) . ?
Au3 Au4 2.8924(11) . ?
Au3 Au5 2.9065(11) . ?
Au3 Au7 3.0674(11) . ?
Au3 Au9 3.1089(11) . ?
Au3 Au8 3.1211(11) . ?
Au3 Au10 3.1220(11) . ?
Au4 S9 2.385(5) . ?
Au4 Au7 2.8334(11) . ?
Au4 Au5 2.9886(11) . ?
Au4 Au11 3.0933(11) . ?
Au4 Au13 3.1515(11) . ?
Au4 Au8 3.1746(11) . ?
Au5 S4 2.396(5) . ?
Au5 Au7 2.8910(11) 5_666 ?
Au5 Au13 3.0976(11) . ?
Au5 Au9 3.1894(11) . ?
Au7 S3 2.415(5) . ?
Au7 Au8 3.0335(11) . ?
Au7 Au11 3.1132(11) . ?
Au8 S5 2.319(5) . ?
Au8 S2 2.332(5) . ?
Au9 S7 2.304(6) . ?
Au9 S4 2.312(6) . ?
Au10 S7 2.297(5) . ?
Au10 S1 2.318(5) . ?
Au11 S8 2.289(6) . ?
Au11 S5 2.311(5) . ?
Au13 S6 2.294(6) . ?
Au13 S9 2.317(6) . ?
S1 C24 1.75(2) . ?
S2 C47 1.81(2) . ?
S3 C13 1.81(2) . ?
S4 C40 1.77(3) . ?
S5 C1 1.75(2) . ?
S6 C41 1.75(2) . ?
S7 C30 1.759(18) . ?
S8 C19 1.79(2) . ?
S9 C7 1.80(2) . ?
F1 C33 1.39(3) . ?
F2 C44 1.37(3) . ?
F3 C37 1.39(3) . ?
F4 C50 1.42(3) . ?
F5 C10 1.38(3) . ?
F6 C4 1.36(3) . ?
F7 C16 1.32(3) . ?
F8 C23 1.36(3) . ?
F9 C27 1.41(3) . ?
C1 C2 1.40(3) . ?
C1 C6 1.42(3) . ?
C2 C3 1.27(4) . ?
C3 C4 1.46(4) . ?
C4 C5 1.31(4) . ?
C5 C6 1.38(3) . ?
C7 C8 1.36(3) . ?
C7 C12 1.38(4) . ?
C8 C9 1.38(4) . ?
C9 C10 1.36(5) . ?
C10 C11 1.40(5) . ?
C11 C12 1.43(4) . ?
C13 C14 1.38(3) . ?
C13 C18 1.40(3) . ?
C14 C15 1.37(3) . ?
C15 C16 1.39(4) . ?
C16 C17 1.37(4) . ?
C17 C18 1.40(4) . ?
C19 C21 1.38(3) . ?
C19 C20 1.40(3) . ?
C20 C54 1.40(3) . ?
C21 C22 1.41(3) . ?
C22 C23 1.37(4) . ?
C23 C54 1.38(4) . ?
C24 C29 1.40(3) . ?
C24 C25 1.49(4) . ?
C25 C26 1.34(4) . ?
C26 C27 1.33(4) . ?
C27 C28 1.33(5) . ?
C28 C29 1.35(4) . ?
C30 C34 1.40(3) . ?
C30 C31 1.40(3) . ?
C31 C32 1.33(3) . ?
C32 C33 1.34(4) . ?
C33 C53 1.37(4) . ?
C34 C53 1.30(3) . ?
C35 C36 1.35(3) . ?
C35 C40 1.45(4) . ?
C36 C37 1.35(4) . ?
C37 C38 1.38(4) . ?
C38 C39 1.38(3) . ?
C39 C40 1.38(3) . ?
C41 C42 1.38(3) . ?
C41 C46 1.47(4) . ?
C42 C43 1.38(3) . ?
C43 C44 1.39(4) . ?
C44 C45 1.31(4) . ?
C45 C46 1.38(3) . ?
C47 C48 1.38(3) . ?
C47 C52 1.40(3) . ?
C48 C49 1.37(3) . ?
C49 C50 1.39(4) . ?
C50 C51 1.31(4) . ?
C51 C52 1.39(4) . ?
