#------------------------------------------------------------------------------
#$Date: 2020-11-06 14:09:45 +0200 (Fri, 06 Nov 2020) $
#$Revision: 258821 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/55/7705502.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_7705502
loop_
_publ_author_name
'Velho, Mariana F. G.'
'Silva, Rafaela A. L.'
'Brotas, Graça'
'Lopes, Elsa B.'
'Santos, Isabel C.'
'Charas, Ana'
'Belo, Dulce'
'Almeida, Manuel'
_publ_section_title
;
 Conducting neutral gold bisdithiolene complex
 [Au(dspdt)₂]˙.
;
_journal_issue                   39
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13737
_journal_page_last               13743
_journal_paper_doi               10.1039/d0dt02931a
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         '5(C8 H8 Au S4 Se2)'
_chemical_formula_sum            'C40 H40 Au5 S20 Se10'
_chemical_formula_weight         2936.35
_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-2014/7
_audit_update_record
;
2020-07-13 deposited with the CCDC.	2020-09-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 125.8850(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   40.7970(14)
_cell_length_b                   6.4600(2)
_cell_length_c                   29.1807(9)
_cell_measurement_reflns_used    2935
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      23.65
_cell_measurement_theta_min      3.03
_cell_volume                     6230.8(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Mercury Macrae et al,2008)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_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  0.0993
_diffrn_reflns_av_unetI/netI     0.1056
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       50
_diffrn_reflns_limit_h_min       -50
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            24508
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.419
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    18.278
_exptl_absorpt_correction_T_max  0.711
_exptl_absorpt_correction_T_min  0.184
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    3.130
_exptl_crystal_description       needle
_exptl_crystal_F_000             5340
_exptl_crystal_size_max          0.140
_exptl_crystal_size_mid          0.020
_exptl_crystal_size_min          0.020
_refine_diff_density_max         1.218
_refine_diff_density_min         -1.128
_refine_diff_density_rms         0.246
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.969
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     381
_refine_ls_number_reflns         6326
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      0.967
_refine_ls_R_factor_all          0.1136
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.033
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0273P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0914
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3795
_reflns_number_total             6326
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt02931a2.cif
_cod_data_source_block           '[Au(a-scpdt)2]'
_cod_depositor_comments
'Adding full bibliography for 7705500--7705502.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7705502
_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   0.184
_shelx_estimated_absorpt_t_max   0.711
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 0.46011(2) 0.92219(7) 0.50512(2) 0.02992(13) Uani 1 1 d . . . . .
S1 S 0.51014(10) 0.7550(4) 0.58714(12) 0.0374(8) Uani 1 1 d . . . . .
S2 S 0.46970(11) 1.2183(4) 0.55565(13) 0.0420(9) Uani 1 1 d . . . . .
S3 S 0.45069(10) 0.6257(4) 0.45462(12) 0.0357(8) Uani 1 1 d . . . . .
S4 S 0.40928(10) 1.0863(5) 0.42313(13) 0.0411(8) Uani 1 1 d . . . . .
C1 C 0.5229(3) 0.9481(17) 0.6362(5) 0.033(3) Uani 1 1 d . U . . .
C2 C 0.5060(4) 1.1377(17) 0.6229(5) 0.037(3) Uani 1 1 d . . . . .
C3A C 0.5566(11) 0.909(6) 0.6971(12) 0.033(3) Uani 0.547(4) 1 d . . P A 1
H3A1 H 0.5827 0.9088 0.7034 0.040 Uiso 0.547(4) 1 calc R U P A 1
H3A2 H 0.5529 0.7782 0.7100 0.040 Uiso 0.547(4) 1 calc R U P A 1
Se1A Se 0.52440(14) 1.3192(6) 0.68481(17) 0.0536(12) Uani 0.547(4) 1 d . . P A
1
Se1B Se 0.56292(15) 0.8833(7) 0.71402(13) 0.0514(13) Uani 0.453(4) 1 d . . P A
2
C3B C 0.5263(16) 1.275(7) 0.6749(19) 0.037(3) Uani 0.453(4) 1 d . . P A 2
H3B1 H 0.5063 1.3519 0.6757 0.044 Uiso 0.453(4) 1 calc R U P A 2
H3B2 H 0.5446 1.3716 0.6751 0.044 Uiso 0.453(4) 1 calc R U P A 2
C4 C 0.5516(5) 1.116(2) 0.7298(6) 0.0813(14) Uani 1 1 d . U . . .
H4A H 0.5385 1.0699 0.7469 0.098 Uiso 1 1 calc R U . A 1
H4B H 0.5784 1.1655 0.7600 0.098 Uiso 1 1 calc R U . A 1
C5 C 0.3940(4) 0.8909(17) 0.3748(5) 0.0352(17) Uani 1 1 d . U . . .
C6 C 0.4115(3) 0.7012(15) 0.3876(4) 0.0286(17) Uani 1 1 d D U . . .
Se2A Se 0.38950(8) 0.5076(4) 0.32688(10) 0.0490(8) Uani 0.633(4) 1 d . U P B 1
C7A C 0.3477(9) 0.921(4) 0.3057(11) 0.029(7) Uani 0.633(4) 1 d . U P B 1
H7A1 H 0.3239 0.9086 0.3054 0.035 Uiso 0.633(4) 1 calc R U P B 1
H7A2 H 0.3467 1.0472 0.2871 0.035 Uiso 0.633(4) 1 calc R U P B 1
Se2B Se 0.3524(2) 0.9491(10) 0.3003(3) 0.056(2) Uani 0.367(4) 1 d . . P B 2
C7B C 0.3833(12) 0.563(4) 0.3330(9) 0.056(2) Uani 0.367(4) 1 d D U P B 2
H7B1 H 0.3997 0.4751 0.3270 0.067 Uiso 0.367(4) 1 calc R U P B 2
H7B2 H 0.3664 0.4753 0.3381 0.067 Uiso 0.367(4) 1 calc R U P B 2
C8 C 0.3561(5) 0.709(2) 0.2804(6) 0.0813(14) Uani 1 1 d D U . . .
H8A H 0.3662 0.7566 0.2593 0.098 Uiso 1 1 calc R U . B 1
H8B H 0.3300 0.6454 0.2533 0.098 Uiso 1 1 calc R U . B 1
Au2 Au 0.31859(2) 0.90687(7) 0.64598(2) 0.03317(14) Uani 1 1 d . . . . .
S5 S 0.35553(10) 1.0735(5) 0.62008(14) 0.0412(8) Uani 1 1 d . . . . .
S6 S 0.35670(11) 0.6102(5) 0.66708(15) 0.0448(9) Uani 1 1 d . . . . .
S7 S 0.28114(10) 1.2062(5) 0.62560(14) 0.0398(8) Uani 1 1 d . . . . .
S8 S 0.28336(11) 0.7453(5) 0.67540(15) 0.0488(9) Uani 1 1 d . . . . .
C10 C 0.3900(4) 0.8812(18) 0.6346(5) 0.042(3) Uani 1 1 d D . . . .
Se3 Se 0.43309(10) 0.5148(4) 0.67030(14) 0.0559(9) Uani 0.613(4) 1 d . . P C 1
C11 C 0.4212(10) 0.920(6) 0.6247(18) 0.058(2) Uani 0.613(4) 1 d D U P C 1
H11A H 0.4352 1.0490 0.6419 0.069 Uiso 0.613(4) 1 calc R U P C 1
H11B H 0.4091 0.9246 0.5846 0.069 Uiso 0.613(4) 1 calc R U P C 1
C11A C 0.4253(16) 0.579(10) 0.662(3) 0.102(2) Uani 0.387(4) 1 d D U P C 2
H11C H 0.4147 0.4688 0.6345 0.122 Uiso 0.387(4) 1 calc R U P C 2
H11D H 0.4416 0.5168 0.6995 0.122 Uiso 0.387(4) 1 calc R U P C 2
Se3A Se 0.43132(17) 0.9533(9) 0.6264(3) 0.0554(16) Uani 0.387(4) 1 d . . P C 2
C12 C 0.4525(5) 0.722(3) 0.6549(8) 0.106(7) Uani 1 1 d . . . . .
H12A H 0.4773 0.7685 0.6896 0.127 Uiso 1 1 calc R U . C 1
H12B H 0.4593 0.6734 0.6299 0.127 Uiso 1 1 calc R U . C 1
C13 C 0.2517(4) 1.1337(19) 0.6469(5) 0.045(3) Uani 1 1 d . U . . .
C14 C 0.2521(4) 0.9450(18) 0.6681(5) 0.043(3) Uani 1 1 d . U . . .
Se4 Se 0.21588(11) 1.3283(4) 0.64583(16) 0.0635(10) Uani 0.667(4) 1 d . . P D 1
C15 C 0.2272(10) 0.927(5) 0.7009(14) 0.0769(19) Uani 0.667(4) 1 d . U P D 1
H15A H 0.2454 0.9415 0.7417 0.092 Uiso 0.667(4) 1 calc R U P D 1
H15B H 0.2112 0.8023 0.6908 0.092 Uiso 0.667(4) 1 calc R U P D 1
C15A C 0.222(2) 1.262(9) 0.647(3) 0.045(3) Uani 0.333(4) 1 d . . P D 2
H15C H 0.2013 1.3108 0.6093 0.054 Uiso 0.333(4) 1 calc R U P D 2
H15D H 0.2352 1.3818 0.6714 0.054 Uiso 0.333(4) 1 calc R U P D 2
Se4A Se 0.2169(2) 0.8973(11) 0.6855(3) 0.0769(19) Uani 0.333(4) 1 d . . P D 2
C16 C 0.2002(5) 1.128(2) 0.6707(7) 0.0769(19) Uani 1 1 d . U . . .
H16A H 0.1959 1.1914 0.6969 0.092 Uiso 1 1 calc R U . D 1
H16B H 0.1740 1.0810 0.6385 0.092 Uiso 1 1 calc R U . D 1
Au3 Au 0.2500 0.7500 0.5000 0.02946(17) Uani 1 2 d S . P . .
S9 S 0.21225(10) 1.0465(4) 0.48019(14) 0.0372(8) Uani 1 1 d . . . . .
S10 S 0.21340(10) 0.5873(5) 0.52691(13) 0.0390(8) Uani 1 1 d . . . . .
C17 C 0.1805(3) 0.9698(16) 0.4964(4) 0.0281(16) Uani 1 1 d . U . . .
C18 C 0.1806(4) 0.7798(18) 0.5169(5) 0.041(3) Uani 1 1 d . U . . .
Se5 Se 0.14127(14) 1.1629(4) 0.48738(19) 0.0516(11) Uani 0.538(4) 1 d . . P E 1
C19 C 0.1482(13) 0.757(6) 0.5269(18) 0.041(3) Uani 0.538(4) 1 d . . P E 1
H19A H 0.1605 0.7305 0.5666 0.050 Uiso 0.538(4) 1 calc R U P E 1
H19B H 0.1303 0.6434 0.5048 0.050 Uiso 0.538(4) 1 calc R U P E 1
C19A C 0.1427(13) 1.105(5) 0.4803(17) 0.0281(16) Uani 0.462(4) 1 d . U P E 2
H19C H 0.1233 1.1175 0.4396 0.034 Uiso 0.462(4) 1 calc R U P E 2
H19D H 0.1509 1.2418 0.4969 0.034 Uiso 0.462(4) 1 calc R U P E 2
Se5A Se 0.14377(16) 0.7169(7) 0.5334(2) 0.0498(13) Uani 0.462(4) 1 d . . P E 2
C20 C 0.1239(5) 0.966(2) 0.5084(7) 0.083(5) Uani 1 1 d . U . . .
H20A H 0.1240 1.0163 0.5397 0.099 Uiso 1 1 calc R U . E 1
H20B H 0.0961 0.9366 0.4773 0.099 Uiso 1 1 calc R U . E 1
C9 C 0.3910(4) 0.6938(17) 0.6555(5) 0.038(3) Uani 1 1 d 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'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 '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'
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 S3 179.84(12) . . ?
S2 Au1 S4 89.67(11) . . ?
S3 Au1 S4 90.42(11) . . ?
S2 Au1 S1 90.55(11) . . ?
S3 Au1 S1 89.36(10) . . ?
S4 Au1 S1 179.05(13) . . ?
C1 S1 Au1 100.0(4) . . ?
C2 S2 Au1 100.9(4) . . ?
C6 S3 Au1 100.8(4) . . ?
C5 S4 Au1 100.8(4) . . ?
C2 C1 C3A 117.0(18) . . ?
C2 C1 S1 124.2(9) . . ?
C3A C1 S1 118.7(17) . . ?
C2 C1 Se1B 118.6(9) . . ?
S1 C1 Se1B 117.2(6) . . ?
C1 C2 C3B 111(2) . . ?
C1 C2 S2 124.2(9) . . ?
C3B C2 S2 125(2) . . ?
C1 C2 Se1A 115.9(9) . . ?
S2 C2 Se1A 119.9(7) . . ?
C1 C3A C4 102(2) . . ?
C1 C3A H3A1 111.4 . . ?
C4 C3A H3A1 111.4 . . ?
C1 C3A H3A2 111.4 . . ?
C4 C3A H3A2 111.4 . . ?
H3A1 C3A H3A2 109.3 . . ?
C4 Se1A C2 88.6(6) . . ?
C4 Se1B C1 87.2(6) . . ?
C2 C3B C4 106(3) . . ?
C2 C3B H3B1 110.6 . . ?
C4 C3B H3B1 110.6 . . ?
C2 C3B H3B2 110.6 . . ?
C4 C3B H3B2 110.6 . . ?
H3B1 C3B H3B2 108.7 . . ?
C3B C4 Se1B 113.3(16) . . ?
Se1A C4 C3A 113.7(13) . . ?
Se1A C4 H4A 108.8 . . ?
C3A C4 H4A 108.8 . . ?
Se1A C4 H4B 108.8 . . ?
C3A C4 H4B 108.8 . . ?
H4A C4 H4B 107.7 . . ?
C6 C5 S4 124.1(9) . . ?
C6 C5 C7A 116.4(12) . . ?
S4 C5 C7A 118.9(11) . . ?
C6 C5 Se2B 118.6(9) . . ?
S4 C5 Se2B 117.2(7) . . ?
C5 C6 C7B 106.1(14) . . ?
C5 C6 S3 123.9(9) . . ?
C7B C6 S3 128.9(11) . . ?
C5 C6 Se2A 116.8(8) . . ?
S3 C6 Se2A 119.2(6) . . ?
C8 Se2A C6 87.8(6) . . ?
C8 C7A C5 93.2(15) . . ?
C8 C7A H7A1 113.1 . . ?
C5 C7A H7A1 113.1 . . ?
C8 C7A H7A2 113.1 . . ?
C5 C7A H7A2 113.1 . . ?
H7A1 C7A H7A2 110.5 . . ?
C8 Se2B C5 90.7(7) . . ?
C8 C7B C6 108.9(17) . . ?
C8 C7B H7B1 109.9 . . ?
C6 C7B H7B1 109.9 . . ?
C8 C7B H7B2 109.9 . . ?
C6 C7B H7B2 109.9 . . ?
H7B1 C7B H7B2 108.3 . . ?
C7B C8 Se2B 111.5(14) . . ?
C7A C8 Se2A 121.1(13) . . ?
C7A C8 H8A 107.0 . . ?
Se2A C8 H8A 107.0 . . ?
C7A C8 H8B 107.0 . . ?
Se2A C8 H8B 107.0 . . ?
H8A C8 H8B 106.8 . . ?
S5 Au2 S6 90.42(12) . . ?
S5 Au2 S8 177.77(12) . . ?
S6 Au2 S8 89.68(12) . . ?
S5 Au2 S7 89.19(11) . . ?
S6 Au2 S7 179.31(14) . . ?
S8 Au2 S7 90.69(12) . . ?
C10 S5 Au2 100.3(4) . . ?
C9 S6 Au2 100.7(4) . . ?
C13 S7 Au2 100.2(4) . . ?
C14 S8 Au2 101.0(4) . . ?
C9 C10 C11 116(2) . . ?
C9 C10 S5 124.1(11) . . ?
C11 C10 S5 120.0(19) . . ?
C9 C10 Se3A 119.0(10) . . ?
S5 C10 Se3A 116.6(7) . . ?
C12 Se3 C9 87.8(7) . . ?
C10 C11 C12 105(2) . . ?
C10 C11 H11A 110.8 . . ?
C12 C11 H11A 110.8 . . ?
C10 C11 H11B 110.8 . . ?
C12 C11 H11B 110.8 . . ?
H11A C11 H11B 108.9 . . ?
C9 C11A C12 112(4) . . ?
C9 C11A H11C 109.1 . . ?
C12 C11A H11C 109.1 . . ?
C9 C11A H11D 109.1 . . ?
C12 C11A H11D 109.1 . . ?
H11C C11A H11D 107.9 . . ?
C12 Se3A C10 87.5(7) . . ?
C11A C12 Se3A 113.2(18) . . ?
C11 C12 Se3 113.8(13) . . ?
C11 C12 H12A 108.8 . . ?
Se3 C12 H12A 108.8 . . ?
C11 C12 H12B 108.8 . . ?
Se3 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C14 C13 C15A 107(3) . . ?
C14 C13 S7 125.9(11) . . ?
C15A C13 S7 127(3) . . ?
C14 C13 Se4 113.6(10) . . ?
S7 C13 Se4 120.4(7) . . ?
C13 C14 C15 116.6(14) . . ?
C13 C14 S8 122.1(11) . . ?
C15 C14 S8 120.1(12) . . ?
C13 C14 Se4A 118.7(10) . . ?
S8 C14 Se4A 119.1(7) . . ?
C16 Se4 C13 88.2(6) . . ?
C14 C15 C16 94.5(18) . . ?
C14 C15 H15A 112.8 . . ?
C16 C15 H15A 112.8 . . ?
C14 C15 H15B 112.8 . . ?
C16 C15 H15B 112.8 . . ?
H15A C15 H15B 110.3 . . ?
C13 C15A C16 111(4) . . ?
C13 C15A H15C 109.5 . . ?
C16 C15A H15C 109.5 . . ?
C13 C15A H15D 109.5 . . ?
C16 C15A H15D 109.5 . . ?
H15C C15A H15D 108.1 . . ?
C16 Se4A C14 92.8(8) . . ?
C15A C16 Se4A 111(2) . . ?
C15 C16 Se4 121.5(16) . . ?
C15 C16 H16A 106.9 . . ?
Se4 C16 H16A 106.9 . . ?
C15 C16 H16B 106.9 . . ?
Se4 C16 H16B 106.9 . . ?
H16A C16 H16B 106.7 . . ?
S10 Au3 S10 180.00(10) 7_566 . ?
S10 Au3 S9 90.38(11) 7_566 . ?
S10 Au3 S9 89.62(11) . . ?
S10 Au3 S9 89.62(11) 7_566 7_566 ?
S10 Au3 S9 90.38(11) . 7_566 ?
S9 Au3 S9 180.0 . 7_566 ?
C17 S9 Au3 101.2(4) . . ?
C18 S10 Au3 101.9(5) . . ?
C18 C17 C19A 112.3(18) . . ?
C18 C17 S9 125.4(10) . . ?
C19A C17 S9 121.8(17) . . ?
C18 C17 Se5 115.7(9) . . ?
S9 C17 Se5 118.9(6) . . ?
C17 C18 C19 112.9(18) . . ?
C17 C18 S10 121.8(10) . . ?
C19 C18 S10 125.2(17) . . ?
C17 C18 Se5A 120.7(10) . . ?
S10 C18 Se5A 117.4(7) . . ?
C20 Se5 C17 87.4(6) . . ?
C18 C19 C20 107(2) . . ?
C18 C19 H19A 110.3 . . ?
C20 C19 H19A 110.3 . . ?
C18 C19 H19B 110.3 . . ?
C20 C19 H19B 110.3 . . ?
H19A C19 H19B 108.5 . . ?
C17 C19A C20 102(2) . . ?
C17 C19A H19C 111.4 . . ?
C20 C19A H19C 111.4 . . ?
C17 C19A H19D 111.4 . . ?
C20 C19A H19D 111.4 . . ?
H19C C19A H19D 109.3 . . ?
C20 Se5A C18 86.4(7) . . ?
C19 C20 Se5 116.6(17) . . ?
C19A C20 Se5A 117.6(17) . . ?
C19 C20 H20A 108.2 . . ?
Se5 C20 H20A 108.2 . . ?
C19 C20 H20B 108.2 . . ?
Se5 C20 H20B 108.2 . . ?
H20A C20 H20B 107.3 . . ?
C10 C9 C11A 106(3) . . ?
C10 C9 S6 124.3(10) . . ?
C11A C9 S6 129(3) . . ?
C10 C9 Se3 115.8(10) . . ?
S6 C9 Se3 119.9(6) . . ?
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 2.304(3) . ?
Au1 S3 2.308(3) . ?
Au1 S4 2.309(3) . ?
Au1 S1 2.309(3) . ?
S1 C1 1.732(11) . ?
S2 C2 1.705(12) . ?
S3 C6 1.719(11) . ?
S4 C5 1.715(11) . ?
C1 C2 1.346(15) . ?
C1 C3A 1.50(3) . ?
C1 Se1B 1.911(11) . ?
C2 C3B 1.52(4) . ?
C2 Se1A 1.901(12) . ?
C3A C4 1.73(4) . ?
C3A H3A1 0.9700 . ?
C3A H3A2 0.9700 . ?
Se1A C4 1.723(15) . ?
Se1B C4 1.715(16) . ?
C3B C4 1.66(5) . ?
C3B H3B1 0.9700 . ?
C3B H3B2 0.9700 . ?
C4 H4A 0.9700 . ?
C4 H4B 0.9700 . ?
C5 C6 1.357(14) . ?
C5 C7A 1.79(3) . ?
C5 Se2B 1.849(13) . ?
C6 C7B 1.583(19) . ?
C6 Se2A 1.908(11) . ?
Se2A C8 1.795(15) . ?
C7A C8 1.68(3) . ?
C7A H7A1 0.9700 . ?
C7A H7A2 0.9700 . ?
Se2B C8 1.694(16) . ?
C7B C8 1.575(19) . ?
C7B H7B1 0.9700 . ?
C7B H7B2 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
Au2 S5 2.310(3) . ?
Au2 S6 2.313(3) . ?
Au2 S8 2.311(3) . ?
Au2 S7 2.316(3) . ?
S5 C10 1.733(12) . ?
S6 C9 1.710(13) . ?
S7 C13 1.709(14) . ?
S8 C14 1.737(13) . ?
C10 C9 1.345(15) . ?
C10 C11 1.479(18) . ?
C10 Se3A 1.894(14) . ?
Se3 C12 1.74(2) . ?
Se3 C9 1.897(13) . ?
C11 C12 1.65(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11A C9 1.49(2) . ?
C11A C12 1.55(6) . ?
C11A H11C 0.9700 . ?
C11A H11D 0.9700 . ?
Se3A C12 1.684(19) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C14 1.363(16) . ?
C13 C15A 1.48(6) . ?
C13 Se4 1.914(14) . ?
C14 C15 1.76(4) . ?
C14 Se4A 1.806(15) . ?
Se4 C16 1.775(16) . ?
C15 C16 1.59(3) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C15A C16 1.64(7) . ?
C15A H15C 0.9700 . ?
C15A H15D 0.9700 . ?
Se4A C16 1.591(16) . ?
C16 H16A 0.9700 . ?
C16 H16B 0.9700 . ?
Au3 S10 2.308(3) 7_566 ?
Au3 S10 2.308(3) . ?
Au3 S9 2.309(3) . ?
Au3 S9 2.309(3) 7_566 ?
S9 C17 1.693(12) . ?
S10 C18 1.721(13) . ?
C17 C18 1.364(15) . ?
C17 C19A 1.58(4) . ?
C17 Se5 1.922(12) . ?
C18 C19 1.52(4) . ?
C18 Se5A 1.872(14) . ?
Se5 C20 1.733(16) . ?
C19 C20 1.57(4) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C19A C20 1.67(4) . ?
C19A H19C 0.9700 . ?
C19A H19D 0.9700 . ?
Se5A C20 1.756(16) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
