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#$Date: 2023-07-05 12:36:10 +0300 (Wed, 05 Jul 2023) $
#$Revision: 284885 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/92/1569241.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_1569241
loop_
_publ_author_name
'Yu, Jiu-Hong'
'Yuan, Zhi-Rui'
'Xu, Jing'
'Wang, Jin-Gui'
'Azam, Mohammad'
'Li, Tian-Duo'
'Li, Ying-Zhou'
'Sun, Di'
_publ_section_title
;
 Monoarsine-protected icosahedral cluster
 [Au₁₃(AsPh₃)₈Cl₄]⁺:
 comparative studies on ligand effect and surface reactivity with its
 stibine analogue.
;
_journal_issue                   24
_journal_name_full               'Chemical science'
_journal_page_first              6564
_journal_page_last               6571
_journal_paper_doi               10.1039/d3sc01311a
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C54 H45 As3 Au Cl'
_chemical_formula_sum            'C54 H45 As3 Au Cl'
_chemical_formula_weight         1151.07
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2023-02-26 deposited with the CCDC.	2023-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                83.702(2)
_cell_angle_beta                 75.517(3)
_cell_angle_gamma                86.706(2)
_cell_formula_units_Z            2
_cell_length_a                   13.2861(4)
_cell_length_b                   13.9323(4)
_cell_length_c                   14.0077(4)
_cell_measurement_reflns_used    16388
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.0410
_cell_measurement_theta_min      3.2220
_cell_volume                     2494.14(13)
_computing_cell_refinement       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.68a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0404463000
_diffrn_orient_matrix_UB_12      0.0600775000
_diffrn_orient_matrix_UB_13      0.0886321000
_diffrn_orient_matrix_UB_21      -0.0864937000
_diffrn_orient_matrix_UB_22      0.0453307000
_diffrn_orient_matrix_UB_23      -0.0476720000
_diffrn_orient_matrix_UB_31      -0.0723794000
_diffrn_orient_matrix_UB_32      -0.0819973000
_diffrn_orient_matrix_UB_33      0.0538615000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0431
_diffrn_reflns_av_unetI/netI     0.0441
_diffrn_reflns_Laue_measured_fraction_full 0.987
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            25646
_diffrn_reflns_point_group_measured_fraction_full 0.987
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        67.075
_diffrn_reflns_theta_max         67.075
_diffrn_reflns_theta_min         3.275
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    8.491
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.82453
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.68a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light yellow'
_exptl_crystal_density_diffrn    1.533
_exptl_crystal_description       block
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.922
_refine_diff_density_min         -1.012
_refine_diff_density_rms         0.098
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     532
_refine_ls_number_reflns         8779
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0267
_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)+(0.0298P)²+0.1107P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0650
_refine_ls_wR_factor_ref         0.0660
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8151
_reflns_number_total             8779
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc01311a2.cif
_cod_data_source_block           200714D
_cod_depositor_comments
'Adding full bibliography for 1569240--1569241.cif.'
_cod_original_cell_volume        2494.16(13)
_cod_database_code               1569241
_shelx_shelxl_version_number     2014/7
_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   0.484
_shelx_estimated_absorpt_t_max   0.550
_diffrn_oxdiff_digest_frames
;
01aac56151b0fa998a1ea58fa61bb0571f015485d7e
;
_diffrn_oxdiff_digest_hkl
;
010e19e1494a99ce048ff23ecb9277fefbbf58
;
_reflns_odcompleteness_completeness 98.66
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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
Au2 Au 0.28059(2) 0.76655(2) 0.31923(2) 0.01778(5) Uani 1 1 d . . . . .
As2 As 0.33508(3) 0.93836(2) 0.29628(2) 0.01682(8) Uani 1 1 d . . . . .
As0A As 0.35898(3) 0.66413(2) 0.18317(2) 0.01756(8) Uani 1 1 d . . . . .
As3 As 0.24998(3) 0.68853(2) 0.49196(2) 0.01761(8) Uani 1 1 d . . . . .
Cl1 Cl 0.09368(7) 0.79857(9) 0.28673(9) 0.0534(3) Uani 1 1 d . . . . .
C0AA C 0.1625(3) 0.7550(2) 0.6005(2) 0.0218(7) Uani 1 1 d . . . . .
C1AA C 0.2545(2) 1.0212(2) 0.3926(2) 0.0185(7) Uani 1 1 d . . . . .
C2AA C 0.1850(2) 0.5636(2) 0.5262(2) 0.0208(7) Uani 1 1 d . . . . .
C3AA C 0.3259(2) 1.0210(2) 0.1768(2) 0.0195(7) Uani 1 1 d . . . . .
C4AA C 0.0596(3) 0.7746(2) 0.5993(3) 0.0245(7) Uani 1 1 d . . . . .
H4AA H 0.0338 0.7558 0.5470 0.029 Uiso 1 1 calc R U . . .
C5AA C 0.1683(3) 0.5150(2) 0.4504(3) 0.0245(7) Uani 1 1 d . . . . .
H5AA H 0.1933 0.5403 0.3833 0.029 Uiso 1 1 calc R U . . .
C6AA C 0.6584(3) 0.9051(3) 0.2405(3) 0.0327(9) Uani 1 1 d . . . . .
H6AA H 0.7104 0.8704 0.1967 0.039 Uiso 1 1 calc R U . . .
C9 C 0.4523(3) 0.7429(2) 0.4978(2) 0.0233(7) Uani 1 1 d . . . . .
H9 H 0.4340 0.8004 0.4619 0.028 Uiso 1 1 calc R U . . .
C10 C 0.3083(3) 0.5348(2) 0.1853(2) 0.0226(7) Uani 1 1 d . . . . .
C11 C 0.5463(3) 0.6547(2) 0.2509(2) 0.0245(7) Uani 1 1 d . . . . .
H11 H 0.5006 0.6768 0.3085 0.029 Uiso 1 1 calc R U . . .
C12 C 0.3715(3) 0.7035(3) -0.1235(3) 0.0296(8) Uani 1 1 d . . . . .
H12 H 0.3850 0.6652 -0.1777 0.035 Uiso 1 1 calc R U . . .
C13 C 0.4791(2) 0.9534(2) 0.3009(2) 0.0202(7) Uani 1 1 d . . . . .
C14 C 0.5075(3) 1.0074(3) 0.3673(2) 0.0243(7) Uani 1 1 d . . . . .
H14 H 0.4560 1.0428 0.4109 0.029 Uiso 1 1 calc R U . . .
C15 C 0.3521(2) 0.7168(2) 0.0499(2) 0.0205(7) Uani 1 1 d . . . . .
C16 C 0.5554(3) 0.9022(3) 0.2374(3) 0.0278(8) Uani 1 1 d . . . . .
H16 H 0.5367 0.8652 0.1917 0.033 Uiso 1 1 calc R U . . .
C17 C 0.1735(3) 0.9825(3) 0.4660(2) 0.0249(7) Uani 1 1 d . . . . .
H17 H 0.1586 0.9162 0.4688 0.030 Uiso 1 1 calc R U . . .
C18 C 0.2141(3) 1.1757(3) 0.4573(3) 0.0286(8) Uani 1 1 d . . . . .
H18 H 0.2276 1.2424 0.4539 0.034 Uiso 1 1 calc R U . . .
C19 C 0.3715(3) 0.4519(2) 0.1867(2) 0.0255(8) Uani 1 1 d . . . . .
H19 H 0.4430 0.4568 0.1848 0.031 Uiso 1 1 calc R U . . .
C20 C 0.3296(3) 0.3614(3) 0.1910(3) 0.0316(8) Uani 1 1 d . . . . .
H20 H 0.3730 0.3048 0.1910 0.038 Uiso 1 1 calc R U . . .
C21 C 0.2983(3) 1.1479(3) 0.0181(3) 0.0303(8) Uani 1 1 d . . . . .
H21 H 0.2886 1.1919 -0.0359 0.036 Uiso 1 1 calc R U . . .
C22 C 0.2746(3) 1.1193(3) 0.3871(3) 0.0255(7) Uani 1 1 d . . . . .
H22 H 0.3291 1.1472 0.3358 0.031 Uiso 1 1 calc R U . . .
C23 C 0.5754(3) 0.6090(2) 0.0854(2) 0.0254(7) Uani 1 1 d . . . . .
H23 H 0.5499 0.6000 0.0295 0.031 Uiso 1 1 calc R U . . .
C24 C 0.3806(2) 0.6693(2) 0.5301(2) 0.0195(7) Uani 1 1 d . . . . .
C25 C -0.0055(3) 0.8213(3) 0.6740(3) 0.0297(8) Uani 1 1 d . . . . .
H25 H -0.0762 0.8344 0.6729 0.036 Uiso 1 1 calc R U . . .
C26 C 0.5497(3) 0.7329(3) 0.5176(2) 0.0257(8) Uani 1 1 d . . . . .
H26 H 0.5980 0.7831 0.4952 0.031 Uiso 1 1 calc R U . . .
C27 C 0.3287(3) 0.8151(2) 0.0352(2) 0.0231(7) Uani 1 1 d . . . . .
H27 H 0.3125 0.8532 0.0896 0.028 Uiso 1 1 calc R U . . .
C28 C 0.4058(3) 1.0784(3) 0.1230(3) 0.0307(8) Uani 1 1 d . . . . .
H28 H 0.4708 1.0742 0.1403 0.037 Uiso 1 1 calc R U . . .
C29 C 0.3521(3) 0.8019(3) -0.1388(3) 0.0290(8) Uani 1 1 d . . . . .
H29 H 0.3543 0.8315 -0.2037 0.035 Uiso 1 1 calc R U . . .
C30 C 0.2186(3) 1.0900(3) 0.0704(3) 0.0304(8) Uani 1 1 d . . . . .
H30 H 0.1546 1.0934 0.0515 0.037 Uiso 1 1 calc R U . . .
C31 C 0.2010(3) 0.7825(3) 0.6768(3) 0.0343(9) Uani 1 1 d . . . . .
H31 H 0.2716 0.7690 0.6778 0.041 Uiso 1 1 calc R U . . .
C32 C 0.7180(3) 0.6059(3) 0.1637(3) 0.0298(8) Uani 1 1 d . . . . .
H32 H 0.7896 0.5938 0.1615 0.036 Uiso 1 1 calc R U . . .
C33 C 0.3920(3) 1.1423(3) 0.0439(3) 0.0368(10) Uani 1 1 d . . . . .
H33 H 0.4472 1.1822 0.0075 0.044 Uiso 1 1 calc R U . . .
C34 C 0.1135(3) 1.0392(3) 0.5360(3) 0.0283(8) Uani 1 1 d . . . . .
H34 H 0.0580 1.0118 0.5866 0.034 Uiso 1 1 calc R U . . .
C35 C 0.6859(3) 0.9585(3) 0.3074(3) 0.0295(8) Uani 1 1 d . . . . .
H35 H 0.7565 0.9597 0.3100 0.035 Uiso 1 1 calc R U . . .
C36 C 0.2312(3) 1.0263(3) 0.1511(3) 0.0258(8) Uani 1 1 d . . . . .
H36 H 0.1757 0.9872 0.1880 0.031 Uiso 1 1 calc R U . . .
C37 C 0.5078(3) 0.6396(2) 0.1705(2) 0.0196(7) Uani 1 1 d . . . . .
C38 C 0.1349(3) 1.1357(3) 0.5318(3) 0.0280(8) Uani 1 1 d . . . . .
H38 H 0.0948 1.1745 0.5802 0.034 Uiso 1 1 calc R U . . .
C39 C 0.2255(3) 0.3538(3) 0.1952(3) 0.0392(10) Uani 1 1 d . . . . .
H39 H 0.1973 0.2921 0.1980 0.047 Uiso 1 1 calc R U . . .
C40 C 0.3293(3) 0.8571(3) -0.0590(3) 0.0285(8) Uani 1 1 d . . . . .
H40 H 0.3139 0.9243 -0.0693 0.034 Uiso 1 1 calc R U . . .
C41 C 0.2027(3) 0.5269(3) 0.1903(3) 0.0326(9) Uani 1 1 d . . . . .
H41 H 0.1587 0.5831 0.1903 0.039 Uiso 1 1 calc R U . . .
C42 C 0.6511(3) 0.6378(3) 0.2477(3) 0.0285(8) Uani 1 1 d . . . . .
H42 H 0.6769 0.6480 0.3031 0.034 Uiso 1 1 calc R U . . .
C43 C 0.5764(3) 0.6491(3) 0.5704(3) 0.0326(9) Uani 1 1 d . . . . .
H43 H 0.6429 0.6419 0.5844 0.039 Uiso 1 1 calc R U . . .
C44 C 0.4085(3) 0.5859(3) 0.5834(3) 0.0292(8) Uani 1 1 d . . . . .
H44 H 0.3605 0.5356 0.6067 0.035 Uiso 1 1 calc R U . . .
C45 C 0.1626(3) 0.4362(3) 0.1954(3) 0.0409(10) Uani 1 1 d . . . . .
H45 H 0.0908 0.4307 0.1990 0.049 Uiso 1 1 calc R U . . .
C46 C 0.6108(3) 1.0096(3) 0.3697(3) 0.0299(8) Uani 1 1 d . . . . .
H46 H 0.6300 1.0468 0.4150 0.036 Uiso 1 1 calc R U . . .
C47 C 0.0779(3) 0.3929(3) 0.5706(3) 0.0311(9) Uani 1 1 d . . . . .
H47 H 0.0403 0.3349 0.5858 0.037 Uiso 1 1 calc R U . . .
C48 C 0.6802(3) 0.5916(3) 0.0826(3) 0.0318(8) Uani 1 1 d . . . . .
H48 H 0.7261 0.5698 0.0249 0.038 Uiso 1 1 calc R U . . .
C49 C 0.0956(3) 0.4407(3) 0.6464(3) 0.0307(8) Uani 1 1 d . . . . .
H49 H 0.0714 0.4146 0.7133 0.037 Uiso 1 1 calc R U . . .
C50 C 0.1148(3) 0.4294(3) 0.4731(3) 0.0309(8) Uani 1 1 d . . . . .
H50 H 0.1036 0.3959 0.4214 0.037 Uiso 1 1 calc R U . . .
C51 C 0.1485(3) 0.5266(3) 0.6246(3) 0.0287(8) Uani 1 1 d . . . . .
H51 H 0.1598 0.5599 0.6765 0.034 Uiso 1 1 calc R U . . .
C52 C 0.3714(3) 0.6602(3) -0.0289(2) 0.0265(8) Uani 1 1 d . . . . .
H52 H 0.3845 0.5926 -0.0184 0.032 Uiso 1 1 calc R U . . .
C53 C 0.5061(3) 0.5763(3) 0.6025(3) 0.0375(9) Uani 1 1 d . . . . .
H53 H 0.5249 0.5189 0.6382 0.045 Uiso 1 1 calc R U . . .
C54 C 0.0312(3) 0.8494(4) 0.7509(3) 0.0458(11) Uani 1 1 d . . . . .
H54 H -0.0140 0.8814 0.8024 0.055 Uiso 1 1 calc R U . . .
C55 C 0.1345(3) 0.8302(4) 0.7515(3) 0.0526(13) Uani 1 1 d . . . . .
H55 H 0.1603 0.8497 0.8036 0.063 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 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
As As -0.9300 1.0051 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
As3 Au2 As0A 117.366(12) . . ?
As3 Au2 As2 114.995(12) . . ?
As0A Au2 As2 117.168(12) . . ?
As3 Au2 Cl1 105.15(2) . . ?
As0A Au2 Cl1 99.49(3) . . ?
As2 Au2 Cl1 98.04(3) . . ?
C1AA As2 C3AA 97.75(13) . . ?
C1AA As2 C13 104.33(14) . . ?
C3AA As2 C13 102.24(13) . . ?
C1AA As2 Au2 115.54(9) . . ?
C3AA As2 Au2 120.29(10) . . ?
C13 As2 Au2 114.18(10) . . ?
C15 As0A C10 99.82(14) . . ?
C15 As0A C37 103.34(13) . . ?
C10 As0A C37 102.62(14) . . ?
C15 As0A Au2 116.47(10) . . ?
C10 As0A Au2 120.41(9) . . ?
C37 As0A Au2 111.89(10) . . ?
C24 As3 C2AA 104.75(13) . . ?
C24 As3 C0AA 102.61(14) . . ?
C2AA As3 C0AA 97.83(14) . . ?
C24 As3 Au2 109.88(9) . . ?
C2AA As3 Au2 119.86(10) . . ?
C0AA As3 Au2 119.62(10) . . ?
C4AA C0AA C31 120.3(3) . . ?
C4AA C0AA As3 117.6(3) . . ?
C31 C0AA As3 122.1(3) . . ?
C17 C1AA C22 119.5(3) . . ?
C17 C1AA As2 118.8(2) . . ?
C22 C1AA As2 121.6(2) . . ?
C5AA C2AA C51 120.1(3) . . ?
C5AA C2AA As3 118.4(2) . . ?
C51 C2AA As3 121.3(3) . . ?
C28 C3AA C36 120.0(3) . . ?
C28 C3AA As2 122.7(3) . . ?
C36 C3AA As2 117.1(2) . . ?
C25 C4AA C0AA 120.0(3) . . ?
C2AA C5AA C50 119.8(3) . . ?
C16 C6AA C35 120.1(4) . . ?
C26 C9 C24 120.7(3) . . ?
C19 C10 C41 119.7(3) . . ?
C19 C10 As0A 122.8(3) . . ?
C41 C10 As0A 117.4(3) . . ?
C37 C11 C42 120.5(3) . . ?
C29 C12 C52 120.3(3) . . ?
C16 C13 C14 119.4(3) . . ?
C16 C13 As2 116.9(3) . . ?
C14 C13 As2 123.6(3) . . ?
C46 C14 C13 120.0(3) . . ?
C52 C15 C27 120.2(3) . . ?
C52 C15 As0A 122.4(3) . . ?
C27 C15 As0A 117.4(2) . . ?
C6AA C16 C13 120.1(3) . . ?
C1AA C17 C34 120.7(3) . . ?
C38 C18 C22 120.5(3) . . ?
C10 C19 C20 119.8(3) . . ?
C39 C20 C19 120.4(4) . . ?
C30 C21 C33 120.1(3) . . ?
C18 C22 C1AA 119.5(3) . . ?
C48 C23 C37 119.8(3) . . ?
C44 C24 C9 118.8(3) . . ?
C44 C24 As3 124.2(2) . . ?
C9 C24 As3 116.9(2) . . ?
C4AA C25 C54 120.7(3) . . ?
C9 C26 C43 119.7(3) . . ?
C40 C27 C15 119.7(3) . . ?
C3AA C28 C33 120.4(3) . . ?
C12 C29 C40 119.7(3) . . ?
C21 C30 C36 120.5(3) . . ?
C0AA C31 C55 119.1(3) . . ?
C42 C32 C48 119.9(3) . . ?
C21 C33 C28 119.9(3) . . ?
C38 C34 C17 119.7(3) . . ?
C46 C35 C6AA 119.9(3) . . ?
C3AA C36 C30 119.1(3) . . ?
C11 C37 C23 119.6(3) . . ?
C11 C37 As0A 117.3(2) . . ?
C23 C37 As0A 123.2(3) . . ?
C18 C38 C34 120.1(3) . . ?
C20 C39 C45 119.6(4) . . ?
C27 C40 C29 120.6(3) . . ?
C45 C41 C10 119.4(4) . . ?
C32 C42 C11 119.9(3) . . ?
C53 C43 C26 119.9(3) . . ?
C53 C44 C24 120.1(3) . . ?
C39 C45 C41 121.0(4) . . ?
C35 C46 C14 120.6(3) . . ?
C50 C47 C49 120.1(3) . . ?
C32 C48 C23 120.3(3) . . ?
C47 C49 C51 120.2(3) . . ?
C47 C50 C5AA 120.3(4) . . ?
C49 C51 C2AA 119.6(3) . . ?
C15 C52 C12 119.5(3) . . ?
C43 C53 C44 120.8(4) . . ?
C55 C54 C25 119.1(4) . . ?
C54 C55 C31 120.7(4) . . ?
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
Au2 As3 2.4865(3) . ?
Au2 As0A 2.4873(4) . ?
Au2 As2 2.5043(4) . ?
Au2 Cl1 2.6394(10) . ?
As2 C1AA 1.943(3) . ?
As2 C3AA 1.951(3) . ?
As2 C13 1.955(3) . ?
As0A C15 1.952(3) . ?
As0A C10 1.954(3) . ?
As0A C37 1.954(3) . ?
As3 C24 1.936(3) . ?
As3 C2AA 1.946(3) . ?
As3 C0AA 1.955(3) . ?
C0AA C4AA 1.383(5) . ?
C0AA C31 1.390(5) . ?
C1AA C17 1.377(5) . ?
C1AA C22 1.398(5) . ?
C2AA C5AA 1.388(5) . ?
C2AA C51 1.393(5) . ?
C3AA C28 1.379(5) . ?
C3AA C36 1.387(5) . ?
C4AA C25 1.378(5) . ?
C5AA C50 1.390(5) . ?
C6AA C16 1.383(5) . ?
C6AA C35 1.386(5) . ?
C9 C26 1.387(5) . ?
C9 C24 1.400(5) . ?
C10 C19 1.389(5) . ?
C10 C41 1.398(5) . ?
C11 C37 1.387(5) . ?
C11 C42 1.390(5) . ?
C12 C29 1.384(5) . ?
C12 C52 1.394(5) . ?
C13 C16 1.390(5) . ?
C13 C14 1.392(5) . ?
C14 C46 1.384(5) . ?
C15 C52 1.389(5) . ?
C15 C27 1.392(5) . ?
C17 C34 1.389(5) . ?
C18 C38 1.378(5) . ?
C18 C22 1.390(5) . ?
C19 C20 1.397(5) . ?
C20 C39 1.378(6) . ?
C21 C30 1.374(5) . ?
C21 C33 1.377(6) . ?
C23 C48 1.391(5) . ?
C23 C37 1.394(5) . ?
C24 C44 1.394(5) . ?
C25 C54 1.388(6) . ?
C26 C43 1.389(5) . ?
C27 C40 1.382(5) . ?
C28 C33 1.386(5) . ?
C29 C40 1.387(5) . ?
C30 C36 1.397(5) . ?
C31 C55 1.393(5) . ?
C32 C42 1.385(5) . ?
C32 C48 1.389(5) . ?
C34 C38 1.381(5) . ?
C35 C46 1.372(6) . ?
C39 C45 1.381(6) . ?
C41 C45 1.387(5) . ?
C43 C53 1.378(5) . ?
C44 C53 1.384(5) . ?
C47 C50 1.380(6) . ?
C47 C49 1.387(6) . ?
C49 C51 1.389(5) . ?
C54 C55 1.386(6) . ?
