#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:56:05 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180456 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/25/7212503.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_7212503
loop_
_publ_author_name
'Gallego, M. Luz'
'Guijarro, Alejandro'
'Castillo, Oscar'
'Parella, Teodor'
'Mas-Balleste, Ruben'
'Zamora, Felix'
_publ_section_title
;
 Nuclearity control in gold dithiocarboxylato compounds
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              2332
_journal_paper_doi               10.1039/c001150a
_journal_volume                  12
_journal_year                    2010
_chemical_formula_iupac          '[Au2(mu-C5H9S2)2]'
_chemical_formula_moiety         'C10 H18 Au2 S4'
_chemical_formula_sum            'C10 H18 Au2 S4'
_chemical_formula_weight         660.42
_chemical_name_common            bis(mu-dithioisopentanoato)digold(I)
_chemical_name_systematic        bis(mu-dithioisopentanoato)digold(I)
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                113.203(5)
_cell_angle_beta                 100.270(4)
_cell_angle_gamma                95.062(4)
_cell_formula_units_Z            9
_cell_length_a                   15.3128(6)
_cell_length_b                   16.0078(9)
_cell_length_c                   16.1656(8)
_cell_measurement_reflns_used    29111
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      2.99
_cell_volume                     3528.3(3)
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'Sir92 (Altamore et al., 1993)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  Xcalibur
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0990
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            29111
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         2.99
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    19.196
_exptl_absorpt_correction_T_max  0.229
_exptl_absorpt_correction_T_min  0.022
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.41 (release 06-05-2009 CrysAlis171 .NET)
(compiled May 6 2009,17:20:42)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2700
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_refine_diff_density_max         4.738
_refine_diff_density_min         -2.266
_refine_diff_density_rms         0.407
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         16916
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0457P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1011
_refine_ls_wR_factor_ref         0.1069
_reflns_number_gt                11084
_reflns_number_total             16916
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c001150a.txt
_cod_data_source_block           Compound_2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_database_code               7212503
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.09001(3) 0.03302(3) 0.00702(3) 0.01132(10) Uani 1 1 d .
Au2 Au 0.23148(3) -0.00819(3) -0.09705(3) 0.01162(10) Uani 1 1 d .
Au3 Au 0.19502(3) -0.00153(3) -0.27047(3) 0.01615(11) Uani 1 1 d .
Au4 Au 0.05803(3) -0.03998(3) -0.45424(3) 0.01827(12) Uani 1 1 d .
Au5 Au 0.20808(3) -0.01111(3) -0.69336(3) 0.01307(11) Uani 1 1 d .
Au6 Au 0.01724(3) -0.02840(3) -0.73131(3) 0.01239(11) Uani 1 1 d .
Au7 Au 0.40100(3) -0.02989(3) -0.69610(3) 0.01505(11) Uani 1 1 d .
Au8 Au 0.58305(3) -0.01103(3) -0.71147(3) 0.01669(12) Uani 1 1 d .
Au9 Au 0.40842(3) -0.03671(3) -0.02034(3) 0.01457(11) Uani 1 1 d .
S1 S 0.14686(18) -0.0728(2) 0.0559(2) 0.0139(6) Uani 1 1 d .
S2 S -0.05000(19) -0.1527(2) 0.0278(2) 0.0143(6) Uani 1 1 d .
S3 S 0.27693(19) 0.1493(2) -0.0161(2) 0.0150(7) Uani 1 1 d .
S4 S 0.2273(2) 0.1575(2) -0.2037(2) 0.0172(7) Uani 1 1 d .
S5 S 0.18915(19) -0.1670(2) -0.1625(2) 0.0142(6) Uani 1 1 d .
S6 S 0.1673(2) -0.1603(2) -0.3509(2) 0.0201(7) Uani 1 1 d .
S7 S 0.1841(2) 0.0563(2) -0.4444(2) 0.0209(7) Uani 1 1 d .
S8 S 0.0563(2) 0.1561(2) -0.5239(2) 0.0223(8) Uani 1 1 d .
S9 S 0.20446(19) -0.1416(2) -0.6679(2) 0.0171(7) Uani 1 1 d .
S10 S 0.00038(18) -0.1560(2) -0.6986(2) 0.0152(7) Uani 1 1 d .
S11 S 0.22839(18) 0.1251(2) -0.7081(2) 0.0160(7) Uani 1 1 d .
S12 S 0.02360(18) 0.0941(2) -0.7727(2) 0.0152(7) Uani 1 1 d .
S13 S 0.43677(19) 0.0877(2) -0.5498(2) 0.0195(7) Uani 1 1 d .
S14 S 0.63394(19) 0.0991(2) -0.5626(2) 0.0216(8) Uani 1 1 d .
S15 S 0.35334(19) -0.1565(2) -0.8366(2) 0.0201(7) Uani 1 1 d .
S16 S 0.5445(2) -0.1220(2) -0.8609(2) 0.0205(7) Uani 1 1 d .
S17 S 0.4144(2) -0.1438(2) -0.1638(2) 0.0208(8) Uani 1 1 d .
S18 S 0.61179(19) -0.0569(2) -0.1232(2) 0.0181(7) Uani 1 1 d .
C11 C 0.0626(7) -0.1518(8) 0.0493(8) 0.014(3) Uani 1 1 d .
C12 C 0.0910(8) -0.2304(8) 0.0686(8) 0.015(3) Uani 1 1 d .
H12A H 0.0403 -0.2623 0.0792 0.018 Uiso 1 1 calc R
H12B H 0.1384 -0.2061 0.1248 0.018 Uiso 1 1 calc R
C13 C 0.1251(7) -0.2997(8) -0.0103(8) 0.014(3) Uani 1 1 d .
H13 H 0.1808 -0.2687 -0.0152 0.017 Uiso 1 1 calc R
C14 C 0.0566(8) -0.3336(9) -0.1026(9) 0.023(3) Uani 1 1 d .
H14A H 0.0798 -0.3767 -0.1504 0.034 Uiso 1 1 calc R
H14B H 0.0457 -0.2820 -0.1168 0.034 Uiso 1 1 calc R
H14C H 0.0013 -0.3633 -0.0987 0.034 Uiso 1 1 calc R
C15 C 0.1472(9) -0.3795(9) 0.0142(10) 0.027(3) Uani 1 1 d .
H15A H 0.1903 -0.3559 0.0725 0.040 Uiso 1 1 calc R
H15B H 0.1719 -0.4216 -0.0330 0.040 Uiso 1 1 calc R
H15C H 0.0931 -0.4113 0.0185 0.040 Uiso 1 1 calc R
C21 C 0.2635(7) 0.2029(8) -0.0872(8) 0.013(3) Uani 1 1 d .
C22 C 0.2904(7) 0.3065(8) -0.0391(8) 0.015(3) Uani 1 1 d .
H22A H 0.3030 0.3294 -0.0839 0.017 Uiso 1 1 calc R
H22B H 0.3457 0.3219 0.0079 0.017 Uiso 1 1 calc R
C23 C 0.2185(8) 0.3565(8) 0.0068(8) 0.018(3) Uani 1 1 d .
H23 H 0.1949 0.3230 0.0397 0.022 Uiso 1 1 calc R
C24 C 0.2618(9) 0.4532(9) 0.0763(9) 0.027(3) Uani 1 1 d .
H24A H 0.3105 0.4505 0.1212 0.040 Uiso 1 1 calc R
H24B H 0.2178 0.4835 0.1069 0.040 Uiso 1 1 calc R
H24C H 0.2847 0.4872 0.0450 0.040 Uiso 1 1 calc R
C25 C 0.1402(8) 0.3580(9) -0.0660(9) 0.026(3) Uani 1 1 d .
H25A H 0.1134 0.2958 -0.1088 0.039 Uiso 1 1 calc R
H25B H 0.1623 0.3908 -0.0987 0.039 Uiso 1 1 calc R
H25C H 0.0958 0.3882 -0.0360 0.039 Uiso 1 1 calc R
C31 C 0.1688(7) -0.2125(8) -0.2792(8) 0.009(2) Uani 1 1 d U
C32 C 0.1501(7) -0.3163(8) -0.3246(8) 0.018(3) Uani 1 1 d .
H32A H 0.1151 -0.3366 -0.3874 0.022 Uiso 1 1 calc R
H32B H 0.1139 -0.3386 -0.2915 0.022 Uiso 1 1 calc R
C33 C 0.2366(8) -0.3603(9) -0.3271(9) 0.024(3) Uani 1 1 d .
H33 H 0.2804 -0.3270 -0.2676 0.029 Uiso 1 1 calc R
C34 C 0.2780(9) -0.3539(10) -0.4049(10) 0.033(4) Uani 1 1 d .
H34A H 0.2940 -0.2902 -0.3932 0.049 Uiso 1 1 calc R
H34B H 0.2349 -0.3855 -0.4631 0.049 Uiso 1 1 calc R
H34C H 0.3310 -0.3819 -0.4070 0.049 Uiso 1 1 calc R
C35 C 0.2114(9) -0.4602(10) -0.3434(10) 0.032(4) Uani 1 1 d .
H35A H 0.1860 -0.4628 -0.2942 0.048 Uiso 1 1 calc R
H35B H 0.2643 -0.4883 -0.3451 0.048 Uiso 1 1 calc R
H35C H 0.1680 -0.4927 -0.4013 0.048 Uiso 1 1 calc R
C41 C 0.1566(8) 0.1409(9) -0.4774(8) 0.019(3) Uani 1 1 d U
C42 C 0.2354(9) 0.2124(9) -0.4598(9) 0.025(3) Uani 1 1 d .
H42A H 0.2154 0.2530 -0.4880 0.030 Uiso 1 1 calc R
H42B H 0.2797 0.1817 -0.4909 0.030 Uiso 1 1 calc R
C43 C 0.2819(8) 0.2718(9) -0.3584(9) 0.026(3) Uani 1 1 d .
H43 H 0.3037 0.2311 -0.3302 0.031 Uiso 1 1 calc R
C44 C 0.2156(8) 0.3234(9) -0.3059(9) 0.029(4) Uani 1 1 d .
H44A H 0.2461 0.3603 -0.2424 0.044 Uiso 1 1 calc R
H44B H 0.1668 0.2797 -0.3087 0.044 Uiso 1 1 calc R
H44C H 0.1924 0.3625 -0.3335 0.044 Uiso 1 1 calc R
C45 C 0.3641(9) 0.3385(10) -0.3537(12) 0.037(4) Uani 1 1 d .
H45A H 0.4040 0.3036 -0.3875 0.056 Uiso 1 1 calc R
H45B H 0.3956 0.3739 -0.2903 0.056 Uiso 1 1 calc R
H45C H 0.3439 0.3794 -0.3803 0.056 Uiso 1 1 calc R
C51 C 0.1006(7) -0.1851(8) -0.6678(8) 0.011(3) Uani 1 1 d .
C52 C 0.0979(8) -0.2606(8) -0.6349(8) 0.017(3) Uani 1 1 d .
H52A H 0.0847 -0.2361 -0.5742 0.020 Uiso 1 1 calc R
H52B H 0.1579 -0.2759 -0.6272 0.020 Uiso 1 1 calc R
C53 C 0.0312(8) -0.3504(9) -0.6952(9) 0.020(3) Uani 1 1 d .
H53 H -0.0289 -0.3349 -0.7069 0.025 Uiso 1 1 calc R
C54 C 0.0288(9) -0.4112(10) -0.6443(10) 0.029(3) Uani 1 1 d .
H54A H -0.0127 -0.4677 -0.6827 0.043 Uiso 1 1 calc R
H54B H 0.0095 -0.3800 -0.5883 0.043 Uiso 1 1 calc R
H54C H 0.0879 -0.4247 -0.6295 0.043 Uiso 1 1 calc R
C55 C 0.0560(10) -0.3975(9) -0.7878(9) 0.032(4) Uani 1 1 d .
H55A H 0.0574 -0.3558 -0.8172 0.048 Uiso 1 1 calc R
H55B H 0.0120 -0.4518 -0.8267 0.048 Uiso 1 1 calc R
H55C H 0.1143 -0.4144 -0.7779 0.048 Uiso 1 1 calc R
C61 C 0.1286(7) 0.1483(7) -0.7505(7) 0.008(2) Uani 1 1 d U
C62 C 0.1375(7) 0.2320(8) -0.7727(8) 0.016(3) Uani 1 1 d .
H62A H 0.1774 0.2234 -0.8146 0.019 Uiso 1 1 calc R
H62B H 0.0788 0.2349 -0.8049 0.019 Uiso 1 1 calc R
C63 C 0.1732(8) 0.3235(9) -0.6898(9) 0.022(3) Uani 1 1 d .
H63 H 0.2291 0.3178 -0.6536 0.026 Uiso 1 1 calc R
C64 C 0.1072(9) 0.3488(10) -0.6278(10) 0.033(4) Uani 1 1 d .
H64A H 0.1317 0.4072 -0.5762 0.049 Uiso 1 1 calc R
H64B H 0.0968 0.3022 -0.6056 0.049 Uiso 1 1 calc R
H64C H 0.0512 0.3532 -0.6623 0.049 Uiso 1 1 calc R
C65 C 0.1953(9) 0.3983(9) -0.7214(9) 0.026(3) Uani 1 1 d .
H65A H 0.2179 0.4560 -0.6684 0.040 Uiso 1 1 calc R
H65B H 0.1418 0.4035 -0.7590 0.040 Uiso 1 1 calc R
H65C H 0.2402 0.3829 -0.7568 0.040 Uiso 1 1 calc R
C71 C 0.5487(7) 0.1281(8) -0.5104(8) 0.012(3) Uani 1 1 d .
C72 C 0.5757(8) 0.1959(9) -0.4113(8) 0.019(3) Uani 1 1 d .
H72A H 0.6088 0.1672 -0.3758 0.023 Uiso 1 1 calc R
H72B H 0.5215 0.2089 -0.3890 0.023 Uiso 1 1 calc R
C73 C 0.6335(8) 0.2876(9) -0.3917(9) 0.019(3) Uani 1 1 d .
H73 H 0.6885 0.2736 -0.4134 0.023 Uiso 1 1 calc R
C74 C 0.5883(9) 0.3390(9) -0.4416(10) 0.026(3) Uani 1 1 d .
H74A H 0.6275 0.3956 -0.4270 0.040 Uiso 1 1 calc R
H74B H 0.5332 0.3524 -0.4229 0.040 Uiso 1 1 calc R
H74C H 0.5752 0.3018 -0.5071 0.040 Uiso 1 1 calc R
C75 C 0.6615(9) 0.3467(10) -0.2880(9) 0.030(4) Uani 1 1 d .
H75A H 0.6901 0.3120 -0.2576 0.045 Uiso 1 1 calc R
H75B H 0.6092 0.3642 -0.2650 0.045 Uiso 1 1 calc R
H75C H 0.7029 0.4010 -0.2758 0.045 Uiso 1 1 calc R
C81 C 0.4366(8) -0.1767(9) -0.8928(8) 0.018(3) Uani 1 1 d .
C82 C 0.4125(9) -0.2567(9) -0.9860(9) 0.026(3) Uani 1 1 d .
H82A H 0.4616 -0.2560 -1.0163 0.032 Uiso 1 1 calc R
H82B H 0.3598 -0.2480 -1.0230 0.032 Uiso 1 1 calc R
C83 C 0.3930(10) -0.3510(10) -0.9853(10) 0.033(4) Uani 1 1 d .
H83 H 0.3413 -0.3520 -0.9573 0.040 Uiso 1 1 calc R
C84 C 0.4723(8) -0.3697(10) -0.9269(11) 0.036(4) Uani 1 1 d .
H84A H 0.4579 -0.4301 -0.9288 0.053 Uiso 1 1 calc R
H84B H 0.4842 -0.3243 -0.8640 0.053 Uiso 1 1 calc R
H84C H 0.5247 -0.3664 -0.9511 0.053 Uiso 1 1 calc R
C85 C 0.3660(11) -0.4241(11) -1.0840(10) 0.049(5) Uani 1 1 d .
H85A H 0.3547 -0.4840 -1.0838 0.074 Uiso 1 1 calc R
H85B H 0.4138 -0.4216 -1.1145 0.074 Uiso 1 1 calc R
H85C H 0.3123 -0.4131 -1.1162 0.074 Uiso 1 1 calc R
C91 C 0.5183(7) -0.1320(8) -0.1844(8) 0.015(3) Uani 1 1 d .
C92 C 0.5244(7) -0.2075(8) -0.2776(8) 0.014(3) Uani 1 1 d .
H92A H 0.5538 -0.1787 -0.3105 0.017 Uiso 1 1 calc R
H92B H 0.4638 -0.2365 -0.3146 0.017 Uiso 1 1 calc R
C93 C 0.5763(8) -0.2830(9) -0.2683(9) 0.021(3) Uani 1 1 d .
H93 H 0.6391 -0.2539 -0.2364 0.025 Uiso 1 1 calc R
C94 C 0.5391(9) -0.3277(10) -0.2126(10) 0.029(3) Uani 1 1 d .
H94A H 0.5734 -0.3740 -0.2090 0.044 Uiso 1 1 calc R
H94B H 0.4772 -0.3557 -0.2419 0.044 Uiso 1 1 calc R
H94C H 0.5430 -0.2818 -0.1514 0.044 Uiso 1 1 calc R
C95 C 0.5756(8) -0.3535(10) -0.3655(9) 0.028(4) Uani 1 1 d .
H95A H 0.6000 -0.3225 -0.3987 0.042 Uiso 1 1 calc R
H95B H 0.5148 -0.3837 -0.3978 0.042 Uiso 1 1 calc R
H95C H 0.6115 -0.3984 -0.3612 0.042 Uiso 1 1 calc R
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
S2 Au1 S1 172.27(10) 2 .
S2 Au1 Au1 91.46(7) 2 2
S1 Au1 Au1 94.60(7) . 2
S2 Au1 Au2 97.54(8) 2 .
S1 Au1 Au2 80.77(7) . .
Au1 Au1 Au2 140.50(3) 2 .
S3 Au2 S5 173.63(12) . .
S3 Au2 Au3 94.12(8) . .
S5 Au2 Au3 92.25(8) . .
S3 Au2 Au9 89.99(7) . .
S5 Au2 Au9 86.77(7) . .
Au3 Au2 Au9 120.51(2) . .
S3 Au2 Au1 80.79(7) . .
S5 Au2 Au1 96.38(7) . .
Au3 Au2 Au1 116.21(2) . .
Au9 Au2 Au1 123.01(2) . .
S4 Au3 S6 173.94(12) . .
S4 Au3 Au2 91.88(8) . .
S6 Au3 Au2 93.48(9) . .
S4 Au3 Au4 101.28(8) . .
S6 Au3 Au4 75.35(8) . .
Au2 Au3 Au4 149.38(2) . .
S4 Au3 Au6 84.45(7) . 2_554
S6 Au3 Au6 97.93(8) . 2_554
Au2 Au3 Au6 94.577(18) . 2_554
Au4 Au3 Au6 59.895(15) . 2_554
S7 Au4 S8 170.53(11) . 2_554
S7 Au4 Au4 92.58(9) . 2_554
S8 Au4 Au4 92.81(8) 2_554 2_554
S7 Au4 Au3 72.52(8) . .
S8 Au4 Au3 107.00(9) 2_554 .
Au4 Au4 Au3 144.16(3) 2_554 .
S7 Au4 Au6 113.69(8) . 2_554
S8 Au4 Au6 73.47(8) 2_554 2_554
Au4 Au4 Au6 95.78(2) 2_554 2_554
Au3 Au4 Au6 63.346(15) . 2_554
S9 Au5 S11 173.30(10) . .
S9 Au5 Au6 92.69(7) . .
S11 Au5 Au6 93.40(7) . .
S9 Au5 Au7 83.42(7) . .
S11 Au5 Au7 91.23(7) . .
Au6 Au5 Au7 166.77(2) . .
S12 Au6 S10 175.50(10) . .
S12 Au6 Au5 91.35(7) . .
S10 Au6 Au5 92.39(7) . .
S12 Au6 Au4 105.61(7) . 2_554
S10 Au6 Au4 75.23(7) . 2_554
Au5 Au6 Au4 112.507(19) . 2_554
S12 Au6 Au3 83.44(7) . 2_554
S10 Au6 Au3 93.49(7) . 2_554
Au5 Au6 Au3 165.668(19) . 2_554
Au4 Au6 Au3 56.759(14) 2_554 2_554
S13 Au7 S15 173.17(12) . .
S13 Au7 Au8 91.92(8) . .
S15 Au7 Au8 93.46(7) . .
S13 Au7 Au5 86.20(7) . .
S15 Au7 Au5 89.58(7) . .
Au8 Au7 Au5 165.97(3) . .
S14 Au8 S16 175.21(10) . .
S14 Au8 Au7 93.31(8) . .
S16 Au8 Au7 91.39(8) . .
S17 Au9 S18 172.72(12) . 2_655
S17 Au9 Au9 91.78(8) . 2_655
S18 Au9 Au9 94.49(8) 2_655 2_655
S17 Au9 Au2 90.76(8) . .
S18 Au9 Au2 86.74(8) 2_655 .
Au9 Au9 Au2 140.51(3) 2_655 .
C11 S1 Au1 110.5(4) . .
C11 S2 Au1 113.6(5) . 2
C21 S3 Au2 111.2(4) . .
C21 S4 Au3 113.1(5) . .
C31 S5 Au2 112.1(4) . .
C31 S6 Au3 111.3(4) . .
C41 S7 Au4 111.8(4) . .
C41 S8 Au4 111.9(5) . 2_554
C51 S9 Au5 112.7(4) . .
C51 S10 Au6 112.0(4) . .
C61 S11 Au5 110.9(4) . .
C61 S12 Au6 112.5(4) . .
C71 S13 Au7 112.5(4) . .
C71 S14 Au8 111.6(4) . .
C81 S15 Au7 110.9(4) . .
C81 S16 Au8 113.0(4) . .
C91 S17 Au9 111.8(4) . .
C91 S18 Au9 109.6(4) . 2_655
C12 C11 S1 115.6(8) . .
C12 C11 S2 115.3(9) . .
S1 C11 S2 129.1(8) . .
C11 C12 C13 113.2(10) . .
C11 C12 H12A 108.9 . .
C13 C12 H12A 108.9 . .
C11 C12 H12B 108.9 . .
C13 C12 H12B 108.9 . .
H12A C12 H12B 107.8 . .
C14 C13 C15 111.6(10) . .
C14 C13 C12 111.4(9) . .
C15 C13 C12 108.8(11) . .
C14 C13 H13 108.3 . .
C15 C13 H13 108.3 . .
C12 C13 H13 108.3 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C22 C21 S3 114.3(9) . .
C22 C21 S4 116.1(9) . .
S3 C21 S4 129.5(8) . .
C21 C22 C23 114.1(10) . .
C21 C22 H22A 108.7 . .
C23 C22 H22A 108.7 . .
C21 C22 H22B 108.7 . .
C23 C22 H22B 108.7 . .
H22A C22 H22B 107.6 . .
C24 C23 C25 111.0(11) . .
C24 C23 C22 109.4(10) . .
C25 C23 C22 110.9(10) . .
C24 C23 H23 108.5 . .
C25 C23 H23 108.5 . .
C22 C23 H23 108.5 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C23 C25 H25A 109.5 . .
C23 C25 H25B 109.5 . .
H25A C25 H25B 109.5 . .
C23 C25 H25C 109.5 . .
H25A C25 H25C 109.5 . .
H25B C25 H25C 109.5 . .
C32 C31 S6 115.7(8) . .
C32 C31 S5 114.1(9) . .
S6 C31 S5 130.2(7) . .
C31 C32 C33 113.6(9) . .
C31 C32 H32A 108.8 . .
C33 C32 H32A 108.8 . .
C31 C32 H32B 108.8 . .
C33 C32 H32B 108.8 . .
H32A C32 H32B 107.7 . .
C35 C33 C34 110.6(11) . .
C35 C33 C32 108.5(11) . .
C34 C33 C32 109.6(12) . .
C35 C33 H33 109.4 . .
C34 C33 H33 109.4 . .
C32 C33 H33 109.4 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C33 C35 H35A 109.5 . .
C33 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C33 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
C42 C41 S8 116.4(10) . .
C42 C41 S7 113.6(9) . .
S8 C41 S7 130.0(8) . .
C41 C42 C43 116.2(11) . .
C41 C42 H42A 108.2 . .
C43 C42 H42A 108.2 . .
C41 C42 H42B 108.2 . .
C43 C42 H42B 108.2 . .
H42A C42 H42B 107.4 . .
C42 C43 C44 110.7(10) . .
C42 C43 C45 109.0(12) . .
C44 C43 C45 112.0(11) . .
C42 C43 H43 108.4 . .
C44 C43 H43 108.4 . .
C45 C43 H43 108.4 . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C43 C45 H45A 109.5 . .
C43 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C43 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 109.5 . .
C52 C51 S9 114.2(8) . .
C52 C51 S10 116.2(8) . .
S9 C51 S10 129.7(8) . .
C51 C52 C53 117.9(11) . .
C51 C52 H52A 107.8 . .
C53 C52 H52A 107.8 . .
C51 C52 H52B 107.8 . .
C53 C52 H52B 107.8 . .
H52A C52 H52B 107.2 . .
C54 C53 C55 112.6(11) . .
C54 C53 C52 109.8(11) . .
C55 C53 C52 109.8(11) . .
C54 C53 H53 108.2 . .
C55 C53 H53 108.2 . .
C52 C53 H53 108.2 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C53 C55 H55A 109.5 . .
C53 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C53 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C62 C61 S12 115.4(8) . .
C62 C61 S11 113.9(8) . .
S12 C61 S11 130.7(8) . .
C63 C62 C61 115.1(11) . .
C63 C62 H62A 108.5 . .
C61 C62 H62A 108.5 . .
C63 C62 H62B 108.5 . .
C61 C62 H62B 108.5 . .
H62A C62 H62B 107.5 . .
C65 C63 C62 110.1(11) . .
C65 C63 C64 110.9(11) . .
C62 C63 C64 111.7(11) . .
C65 C63 H63 108.0 . .
C62 C63 H63 108.0 . .
C64 C63 H63 108.0 . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C63 C65 H65A 109.5 . .
C63 C65 H65B 109.5 . .
H65A C65 H65B 109.5 . .
C63 C65 H65C 109.5 . .
H65A C65 H65C 109.5 . .
H65B C65 H65C 109.5 . .
C72 C71 S14 115.5(8) . .
C72 C71 S13 114.0(8) . .
S14 C71 S13 130.3(7) . .
C71 C72 C73 115.7(11) . .
C71 C72 H72A 108.4 . .
C73 C72 H72A 108.4 . .
C71 C72 H72B 108.4 . .
C73 C72 H72B 108.4 . .
H72A C72 H72B 107.4 . .
C74 C73 C75 111.2(11) . .
C74 C73 C72 113.1(10) . .
C75 C73 C72 109.9(12) . .
C74 C73 H73 107.4 . .
C75 C73 H73 107.4 . .
C72 C73 H73 107.4 . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C73 C75 H75A 109.5 . .
C73 C75 H75B 109.5 . .
H75A C75 H75B 109.5 . .
C73 C75 H75C 109.5 . .
H75A C75 H75C 109.5 . .
H75B C75 H75C 109.5 . .
C82 C81 S15 115.4(9) . .
C82 C81 S16 114.2(9) . .
S15 C81 S16 130.4(8) . .
C81 C82 C83 115.3(12) . .
C81 C82 H82A 108.5 . .
C83 C82 H82A 108.5 . .
C81 C82 H82B 108.5 . .
C83 C82 H82B 108.5 . .
H82A C82 H82B 107.5 . .
C85 C83 C82 109.2(13) . .
C85 C83 C84 112.4(13) . .
C82 C83 C84 111.9(11) . .
C85 C83 H83 107.7 . .
C82 C83 H83 107.7 . .
C84 C83 H83 107.7 . .
C83 C84 H84A 109.5 . .
C83 C84 H84B 109.5 . .
H84A C84 H84B 109.5 . .
C83 C84 H84C 109.5 . .
H84A C84 H84C 109.5 . .
H84B C84 H84C 109.5 . .
C83 C85 H85A 109.5 . .
C83 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C83 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
C92 C91 S18 116.0(9) . .
C92 C91 S17 112.0(8) . .
S18 C91 S17 132.0(7) . .
C91 C92 C93 114.0(10) . .
C91 C92 H92A 108.8 . .
C93 C92 H92A 108.8 . .
C91 C92 H92B 108.8 . .
C93 C92 H92B 108.8 . .
H92A C92 H92B 107.7 . .
C94 C93 C95 111.9(11) . .
C94 C93 C92 112.6(10) . .
C95 C93 C92 108.2(11) . .
C94 C93 H93 108.0 . .
C95 C93 H93 108.0 . .
C92 C93 H93 108.0 . .
C93 C94 H94A 109.5 . .
C93 C94 H94B 109.5 . .
H94A C94 H94B 109.5 . .
C93 C94 H94C 109.5 . .
H94A C94 H94C 109.5 . .
H94B C94 H94C 109.5 . .
C93 C95 H95A 109.5 . .
C93 C95 H95B 109.5 . .
H95A C95 H95B 109.5 . .
C93 C95 H95C 109.5 . .
H95A C95 H95C 109.5 . .
H95B C95 H95C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 S2 2.302(3) 2
Au1 S1 2.306(3) .
Au1 Au1 2.8003(9) 2
Au1 Au2 2.9387(6) .
Au2 S3 2.306(3) .
Au2 S5 2.313(3) .
Au2 Au3 2.8054(7) .
Au2 Au9 2.9246(6) .
Au3 S4 2.305(3) .
Au3 S6 2.311(3) .
Au3 Au4 3.1167(7) .
Au3 Au6 3.3304(6) 2_554
Au4 S7 2.303(4) .
Au4 S8 2.310(4) 2_554
Au4 Au4 2.8180(10) 2_554
Au4 Au6 3.2238(7) 2_554
Au5 S9 2.281(3) .
Au5 S11 2.286(3) .
Au5 Au6 2.8420(6) .
Au5 Au7 3.0021(6) .
Au6 S12 2.307(3) .
Au6 S10 2.308(3) .
Au7 S13 2.299(3) .
Au7 S15 2.307(3) .
Au7 Au8 2.8427(6) .
Au8 S14 2.292(3) .
Au8 S16 2.295(3) .
Au9 S17 2.302(3) .
Au9 S18 2.307(3) 2_655
Au9 Au9 2.7986(9) 2_655
S1 C11 1.684(13) .
S2 C11 1.694(11) .
S2 Au1 2.302(3) 2
S3 C21 1.682(13) .
S4 C21 1.691(12) .
S5 C31 1.689(11) .
S6 C31 1.672(12) .
S7 C41 1.698(14) .
S8 C41 1.668(12) .
S9 C51 1.679(12) .
S10 C51 1.690(11) .
S11 C61 1.695(11) .
S12 C61 1.664(11) .
S13 C71 1.689(11) .
S14 C71 1.680(11) .
S15 C81 1.676(12) .
S16 C81 1.687(12) .
S17 C91 1.692(12) .
S18 C91 1.651(11) .
C11 C12 1.491(17) .
C12 C13 1.535(15) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.525(16) .
C13 C15 1.526(18) .
C13 H13 0.9800 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 H15A 0.9600 .
C15 H15B 0.9600 .
C15 H15C 0.9600 .
C21 C22 1.508(16) .
C22 C23 1.543(16) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.511(17) .
C23 C25 1.533(17) .
C23 H23 0.9800 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C25 H25A 0.9600 .
C25 H25B 0.9600 .
C25 H25C 0.9600 .
C31 C32 1.505(16) .
C32 C33 1.553(16) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C35 1.516(19) .
C33 C34 1.539(19) .
C33 H33 0.9800 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C35 H35A 0.9600 .
C35 H35B 0.9600 .
C35 H35C 0.9600 .
C41 C42 1.492(18) .
C42 C43 1.528(18) .
C42 H42A 0.9700 .
C42 H42B 0.9700 .
C43 C44 1.528(16) .
C43 C45 1.548(19) .
C43 H43 0.9800 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C51 C52 1.502(18) .
C52 C53 1.530(17) .
C52 H52A 0.9700 .
C52 H52B 0.9700 .
C53 C54 1.504(19) .
C53 C55 1.522(17) .
C53 H53 0.9800 .
C54 H54A 0.9600 .
C54 H54B 0.9600 .
C54 H54C 0.9600 .
C55 H55A 0.9600 .
C55 H55B 0.9600 .
C55 H55C 0.9600 .
C61 C62 1.518(17) .
C62 C63 1.514(16) .
C62 H62A 0.9700 .
C62 H62B 0.9700 .
C63 C65 1.51(2) .
C63 C64 1.518(17) .
C63 H63 0.9800 .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C65 H65A 0.9600 .
C65 H65B 0.9600 .
C65 H65C 0.9600 .
C71 C72 1.493(15) .
C72 C73 1.531(18) .
C72 H72A 0.9700 .
C72 H72B 0.9700 .
C73 C74 1.493(18) .
C73 C75 1.520(16) .
C73 H73 0.9800 .
C74 H74A 0.9600 .
C74 H74B 0.9600 .
C74 H74C 0.9600 .
C75 H75A 0.9600 .
C75 H75B 0.9600 .
C75 H75C 0.9600 .
C81 C82 1.498(17) .
C82 C83 1.52(2) .
C82 H82A 0.9700 .
C82 H82B 0.9700 .
C83 C85 1.515(18) .
C83 C84 1.53(2) .
C83 H83 0.9800 .
C84 H84A 0.9600 .
C84 H84B 0.9600 .
C84 H84C 0.9600 .
C85 H85A 0.9600 .
C85 H85B 0.9600 .
C85 H85C 0.9600 .
C91 C92 1.541(15) .
C92 C93 1.544(17) .
C92 H92A 0.9700 .
C92 H92B 0.9700 .
C93 C94 1.505(19) .
C93 C95 1.529(16) .
C93 H93 0.9800 .
C94 H94A 0.9600 .
C94 H94B 0.9600 .
C94 H94C 0.9600 .
C95 H95A 0.9600 .
C95 H95B 0.9600 .
C95 H95C 0.9600 .
