# Supplementary Material (ESI) for CrystEngComm
# This journal is (c) The Royal Society of Chemistry 2010

data_global
_journal_name_full               CrystEngComm

_journal_coden_Cambridge         1350

_publ_contact_author_name        'Felix Zamora'
_publ_contact_author_email       FELIX.ZAMORA@UAM.ES

_publ_section_title              
;
Nuclearity control on gold dithiocarboxylato compounds
;
loop_
_publ_author_name
'Felix Zamora'
'Oscar Castillo'
'M. Luz Gallego'
'Alejandro Guijarro'
'Ruben Mas-Balleste'
;
T.Parella
;
#END

data_Compound_2
_database_code_depnum_ccdc_archive 'CCDC 758808'
#TrackingRef 'CIFs.cif'

_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;
"bis(mu-dithioisopentanoato)digold(I)"
;
_chemical_formula_moiety         'C10 H18 Au2 S4'
_chemical_formula_sum            'C10 H18 Au2 S4'
_chemical_formula_iupac          '[Au2(mu-C5H9S2)2]'
_chemical_formula_weight         660.42

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'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   15.3128(6)
_cell_length_b                   16.0078(9)
_cell_length_c                   16.1656(8)
_cell_angle_alpha                113.203(5)
_cell_angle_beta                 100.270(4)
_cell_angle_gamma                95.062(4)
_cell_volume                     3528.3(3)
_cell_formula_units_Z            9
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    29111
_cell_measurement_theta_min      2.99
_cell_measurement_theta_max      28.00

_exptl_crystal_description       plate
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.797
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2700
_exptl_absorpt_coefficient_mu    19.196
_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_absorpt_correction_T_min  0.022
_exptl_absorpt_correction_T_max  0.229

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Xcalibur
_diffrn_measurement_method       \w
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            29111
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_sigmaI/netI    0.0990
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.99
_diffrn_reflns_theta_max         28.00
_reflns_number_total             16916
_reflns_number_gt                11084
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_structure_solution    'Sir92 (Altamore et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0457P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         16916
_refine_ls_number_parameters     649
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0454
_refine_ls_wR_factor_ref         0.1069
_refine_ls_wR_factor_gt          0.1011
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
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_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.0090(2) 0.0127(2) 0.0143(2) 0.00612(19) 0.00603(17) 0.00327(17)
Au2 0.0105(2) 0.0154(2) 0.0118(2) 0.00664(19) 0.00585(17) 0.00507(17)
Au3 0.0222(2) 0.0166(3) 0.0112(2) 0.00705(19) 0.00348(19) 0.00576(19)
Au4 0.0260(3) 0.0180(3) 0.0114(2) 0.0059(2) 0.0031(2) 0.0102(2)
Au5 0.0076(2) 0.0158(2) 0.0154(2) 0.00536(19) 0.00384(18) 0.00336(17)
Au6 0.0083(2) 0.0157(2) 0.0131(2) 0.00482(19) 0.00429(17) 0.00377(17)
Au7 0.0089(2) 0.0176(3) 0.0192(3) 0.0067(2) 0.00625(18) 0.00316(18)
Au8 0.0096(2) 0.0203(3) 0.0194(3) 0.0059(2) 0.00685(19) 0.00374(18)
Au9 0.0087(2) 0.0182(3) 0.0163(2) 0.0061(2) 0.00395(18) 0.00312(18)
S1 0.0102(14) 0.0156(16) 0.0199(16) 0.0099(13) 0.0063(12) 0.0044(12)
S2 0.0118(14) 0.0177(16) 0.0168(16) 0.0099(13) 0.0051(12) 0.0030(12)
S3 0.0164(15) 0.0186(16) 0.0149(16) 0.0100(13) 0.0073(12) 0.0061(12)
S4 0.0185(15) 0.0183(17) 0.0164(16) 0.0089(13) 0.0033(12) 0.0046(13)
S5 0.0143(14) 0.0162(16) 0.0144(15) 0.0077(13) 0.0057(12) 0.0028(12)
S6 0.0253(17) 0.0212(18) 0.0133(16) 0.0074(13) 0.0021(13) 0.0051(13)
S7 0.0280(17) 0.0216(18) 0.0157(16) 0.0086(14) 0.0056(13) 0.0121(14)
S8 0.0272(17) 0.0272(19) 0.0183(17) 0.0129(14) 0.0077(14) 0.0131(14)
S9 0.0106(14) 0.0210(17) 0.0214(17) 0.0097(14) 0.0040(12) 0.0067(12)
S10 0.0100(14) 0.0192(17) 0.0164(16) 0.0075(13) 0.0026(12) 0.0039(12)
S11 0.0077(13) 0.0157(16) 0.0229(17) 0.0072(13) 0.0019(12) 0.0017(11)
S12 0.0085(13) 0.0196(17) 0.0161(16) 0.0059(13) 0.0019(11) 0.0047(12)
S13 0.0144(15) 0.0222(18) 0.0190(17) 0.0042(14) 0.0071(12) 0.0041(13)
S14 0.0118(15) 0.0281(19) 0.0187(17) 0.0020(14) 0.0070(12) 0.0032(13)
S15 0.0121(14) 0.0250(18) 0.0204(17) 0.0055(14) 0.0076(12) 0.0007(13)
S16 0.0145(15) 0.0250(18) 0.0212(17) 0.0060(14) 0.0104(13) 0.0034(13)
S17 0.0144(15) 0.0273(19) 0.0171(17) 0.0046(14) 0.0051(12) 0.0062(13)
S18 0.0129(14) 0.0236(18) 0.0176(16) 0.0069(14) 0.0069(12) 0.0042(12)
C11 0.013(6) 0.021(7) 0.005(6) 0.000(5) 0.003(5) 0.010(5)
C12 0.014(6) 0.015(6) 0.018(7) 0.010(5) 0.006(5) 0.003(5)
C13 0.012(6) 0.008(6) 0.019(7) 0.005(5) 0.003(5) 0.001(5)
C14 0.030(7) 0.023(7) 0.022(7) 0.012(6) 0.016(6) 0.005(6)
C15 0.026(7) 0.019(7) 0.039(9) 0.012(6) 0.014(6) 0.013(6)
C21 0.004(5) 0.022(7) 0.018(6) 0.012(5) 0.007(5) 0.003(5)
C22 0.016(6) 0.015(6) 0.016(6) 0.011(5) 0.002(5) 0.001(5)
C23 0.024(7) 0.017(7) 0.012(6) 0.006(5) 0.005(5) 0.002(5)
C24 0.032(8) 0.026(8) 0.028(8) 0.013(6) 0.014(6) 0.013(6)
C25 0.013(6) 0.027(8) 0.034(8) 0.008(6) 0.007(6) 0.005(5)
C31 0.004(4) 0.011(5) 0.013(5) 0.006(4) 0.001(4) -0.002(4)
C32 0.015(6) 0.016(7) 0.011(6) -0.002(5) -0.003(5) -0.010(5)
C33 0.024(7) 0.029(8) 0.028(8) 0.014(6) 0.016(6) 0.013(6)
C34 0.035(8) 0.034(9) 0.038(9) 0.016(7) 0.023(7) 0.013(7)
C35 0.039(8) 0.032(9) 0.038(9) 0.020(7) 0.022(7) 0.015(7)
C41 0.021(5) 0.025(5) 0.012(5) 0.003(4) 0.010(4) 0.009(4)
C42 0.033(8) 0.028(8) 0.026(8) 0.015(6) 0.020(6) 0.016(6)
C43 0.021(7) 0.026(8) 0.035(8) 0.010(6) 0.014(6) 0.016(6)
C44 0.028(7) 0.022(8) 0.028(8) -0.003(6) 0.017(6) -0.002(6)
C45 0.021(7) 0.032(9) 0.062(11) 0.021(8) 0.015(7) 0.005(6)
C51 0.012(6) 0.013(6) 0.008(6) 0.002(5) 0.004(4) 0.004(5)
C52 0.019(6) 0.019(7) 0.021(7) 0.012(6) 0.012(5) 0.011(5)
C53 0.016(6) 0.023(7) 0.030(8) 0.017(6) 0.009(6) 0.005(5)
C54 0.038(8) 0.027(8) 0.037(9) 0.026(7) 0.014(7) 0.009(6)
C55 0.053(9) 0.016(7) 0.023(8) 0.004(6) 0.008(7) 0.006(7)
C61 0.011(4) 0.007(5) 0.004(4) -0.001(4) 0.004(4) 0.003(4)
C62 0.009(6) 0.018(7) 0.016(6) 0.003(5) 0.004(5) -0.001(5)
C63 0.017(6) 0.027(8) 0.021(7) 0.010(6) 0.005(5) 0.005(5)
C64 0.042(9) 0.023(8) 0.043(9) 0.016(7) 0.025(7) 0.017(7)
C65 0.026(7) 0.028(8) 0.028(8) 0.016(6) 0.005(6) 0.004(6)
C71 0.011(6) 0.015(6) 0.008(6) 0.004(5) -0.001(4) 0.001(5)
C72 0.012(6) 0.030(8) 0.018(7) 0.008(6) 0.010(5) 0.010(5)
C73 0.016(6) 0.020(7) 0.022(7) 0.008(6) 0.004(5) 0.004(5)
C74 0.030(7) 0.027(8) 0.034(8) 0.019(7) 0.016(6) 0.010(6)
C75 0.026(7) 0.035(9) 0.015(7) 0.000(6) -0.002(6) 0.004(6)
C81 0.015(6) 0.023(7) 0.019(7) 0.013(6) 0.006(5) 0.002(5)
C82 0.020(7) 0.034(8) 0.022(7) 0.006(6) 0.011(6) 0.001(6)
C83 0.041(9) 0.030(9) 0.027(8) 0.008(7) 0.018(7) -0.004(7)
C84 0.018(7) 0.029(8) 0.067(12) 0.023(8) 0.018(7) 0.004(6)
C85 0.071(12) 0.033(10) 0.031(9) 0.001(8) 0.020(9) -0.011(8)
C91 0.017(6) 0.015(6) 0.010(6) 0.006(5) -0.003(5) 0.000(5)
C92 0.015(6) 0.024(7) 0.010(6) 0.014(5) 0.001(5) 0.007(5)
C93 0.018(6) 0.022(7) 0.024(7) 0.006(6) 0.011(5) 0.009(5)
C94 0.038(8) 0.027(8) 0.033(8) 0.018(7) 0.016(7) 0.012(6)
C95 0.020(7) 0.035(9) 0.028(8) 0.009(7) 0.004(6) 0.016(6)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 2.302(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 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
S2 Au1 S1 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 . . ?

_diffrn_measured_fraction_theta_max 0.992
_diffrn_reflns_theta_full        28.00
_diffrn_measured_fraction_theta_full 0.992
_refine_diff_density_max         4.738
_refine_diff_density_min         -2.266
_refine_diff_density_rms         0.407
_chemical_name_common            'bis(mu-dithioisopentanoato)digold(i)'

# Attachment 'CIFs.cif'

data_Compound_1
_database_code_depnum_ccdc_archive 'CCDC 758809'
#TrackingRef 'CIFs.cif'

_audit_creation_method           SHELXL-97

_chemical_name_systematic        
;
"catena-((mu-dithioisopentanoato)gold(I)) bis(mu-dithioisopentanoato)digold(I)"
;
_chemical_formula_moiety         'C25 H45 Au5 S10, C10 H18 Au2 S4'
_chemical_formula_sum            'C35 H63 Au7 S14'
_chemical_formula_weight         2311.46

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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.2796(5)
_cell_length_b                   15.4914(9)
_cell_length_c                   18.8044(11)
_cell_angle_alpha                85.919(5)
_cell_angle_beta                 81.923(4)
_cell_angle_gamma                87.427(4)
_cell_volume                     2667.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    100(2)
_cell_measurement_reflns_used    19995
_cell_measurement_theta_min      2.79
_cell_measurement_theta_max      27.14

_exptl_crystal_description       trapezoid
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.1564
_exptl_crystal_size_mid          0.0928
_exptl_crystal_size_min          0.0283
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.877
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2100
_exptl_absorpt_coefficient_mu    19.745
_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_absorpt_correction_T_min  0.131
_exptl_absorpt_correction_T_max  0.570

_diffrn_ambient_temperature      100(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  Xcalibur
_diffrn_measurement_method       \w
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_number            19995
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_sigmaI/netI    0.1348
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.79
_diffrn_reflns_theta_max         27.14
_reflns_number_total             11428
_reflns_number_gt                6685
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_cell_refinement       'CrysAlis CCD (Oxford Diffraction, 2003)'
_computing_data_reduction        'CrysAlis RED (Oxford Diffraction, 2003)'
_computing_structure_solution    'Sir92 (Altamore et al., 1993)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Ortep-3 (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0246P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11428
_refine_ls_number_parameters     522
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0802
_refine_ls_R_factor_gt           0.0385
_refine_ls_wR_factor_ref         0.0727
_refine_ls_wR_factor_gt          0.0686
_refine_ls_goodness_of_fit_ref   0.806
_refine_ls_restrained_S_all      0.801
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 1.0000 0.0000 0.5000 0.01880(16) Uani 1 2 d S . .
Au2 Au 0.87685(4) -0.04771(3) 0.64815(2) 0.01906(12) Uani 1 1 d . . .
Au3 Au 0.59059(4) -0.05393(3) 0.74073(2) 0.01718(11) Uani 1 1 d . . .
Au4 Au 0.81773(4) -0.02582(3) 0.83726(2) 0.01979(12) Uani 1 1 d . . .
Au5 Au 1.12880(4) 0.02741(3) 0.84351(2) 0.01711(11) Uani 1 1 d . . .
Au6 Au 1.0000 0.0000 1.0000 0.01870(16) Uani 1 2 d S . .
Au7 Au 0.52518(5) -0.01109(3) 0.57409(2) 0.02172(12) Uani 1 1 d . . .
Au8 Au 1.38242(5) 0.00600(4) 0.95746(3) 0.04026(18) Uani 1 1 d . . .
S1 S 1.1750(3) 0.0721(2) 0.54542(15) 0.0226(7) Uani 1 1 d . . .
S2 S 0.9592(3) 0.0790(2) 0.68276(14) 0.0209(7) Uani 1 1 d . . .
S3 S 0.8389(3) -0.1828(2) 0.61316(15) 0.0239(7) Uani 1 1 d . . .
S4 S 0.5866(3) -0.2017(2) 0.73382(14) 0.0188(7) Uani 1 1 d . . .
S5 S 0.5171(3) 0.0892(2) 0.74673(15) 0.0211(7) Uani 1 1 d . . .
S6 S 0.7081(3) 0.1061(2) 0.86456(15) 0.0225(7) Uani 1 1 d . . .
S7 S 0.9109(3) -0.1610(2) 0.80906(16) 0.0250(8) Uani 1 1 d . . .
S8 S 1.2198(3) -0.0965(2) 0.79172(15) 0.0217(7) Uani 1 1 d . . .
S9 S 1.0811(3) 0.1728(2) 0.85309(14) 0.0213(7) Uani 1 1 d . . .
S10 S 0.9255(3) 0.1424(2) 1.00593(14) 0.0198(7) Uani 1 1 d . . .
S11 S 0.3916(3) -0.1340(2) 0.59307(15) 0.0282(8) Uani 1 1 d . . .
S12 S 0.3460(3) -0.1132(2) 0.43417(15) 0.0260(8) Uani 1 1 d . . .
S13 S 1.3151(3) 0.1432(3) 0.98876(19) 0.0440(11) Uani 1 1 d . . .
S14 S 1.5575(3) 0.1286(3) 1.08401(17) 0.0458(11) Uani 1 1 d . . .
C11 C 1.1102(11) 0.1086(8) 0.6270(6) 0.022(3) Uani 1 1 d U . .
C12 C 1.1992(11) 0.1789(7) 0.6534(5) 0.017(3) Uani 1 1 d U . .
H12A H 1.2160 0.1632 0.7025 0.020 Uiso 1 1 calc R . .
H12B H 1.2931 0.1827 0.6235 0.020 Uiso 1 1 calc R . .
C13 C 1.1200(11) 0.2642(8) 0.6502(6) 0.023(3) Uani 1 1 d U . .
H13 H 1.0272 0.2592 0.6821 0.027 Uiso 1 1 calc R . .
C14 C 1.0875(13) 0.2983(9) 0.5764(7) 0.042(4) Uani 1 1 d U . .
H14A H 1.1773 0.3060 0.5448 0.063 Uiso 1 1 calc R . .
H14B H 1.0346 0.3528 0.5802 0.063 Uiso 1 1 calc R . .
H14C H 1.0301 0.2576 0.5575 0.063 Uiso 1 1 calc R . .
C15 C 1.2090(12) 0.3294(8) 0.6795(6) 0.034(3) Uani 1 1 d U . .
H15A H 1.2271 0.3095 0.7270 0.051 Uiso 1 1 calc R . .
H15B H 1.1564 0.3842 0.6813 0.051 Uiso 1 1 calc R . .
H15C H 1.3000 0.3359 0.6486 0.051 Uiso 1 1 calc R . .
C21 C 0.7055(11) -0.2355(8) 0.6645(5) 0.017(3) Uani 1 1 d U . .
C22 C 0.6826(12) -0.3283(8) 0.6442(6) 0.027(3) Uani 1 1 d U . .
H22A H 0.6068 -0.3535 0.6794 0.033 Uiso 1 1 calc R . .
H22B H 0.6469 -0.3244 0.5979 0.033 Uiso 1 1 calc R . .
C23 C 0.8145(13) -0.3896(8) 0.6397(6) 0.028(3) Uani 1 1 d U . .
H23 H 0.8974 -0.3583 0.6136 0.033 Uiso 1 1 calc R . .
C24 C 0.8497(13) -0.4163(9) 0.7144(7) 0.040(4) Uani 1 1 d U . .
H24A H 0.7782 -0.4554 0.7382 0.060 Uiso 1 1 calc R . .
H24B H 0.8488 -0.3660 0.7414 0.060 Uiso 1 1 calc R . .
H24C H 0.9444 -0.4446 0.7110 0.060 Uiso 1 1 calc R . .
C25 C 0.7910(15) -0.4666(9) 0.5971(7) 0.046(4) Uani 1 1 d U . .
H25A H 0.8755 -0.5050 0.5949 0.069 Uiso 1 1 calc R . .
H25B H 0.7753 -0.4465 0.5493 0.069 Uiso 1 1 calc R . .
H25C H 0.7075 -0.4969 0.6205 0.069 Uiso 1 1 calc R . .
C31 C 0.5869(11) 0.1394(7) 0.8104(5) 0.017(3) Uani 1 1 d U . .
C32 C 0.5298(11) 0.2315(8) 0.8183(5) 0.021(3) Uani 1 1 d U . .
H32A H 0.4247 0.2311 0.8300 0.025 Uiso 1 1 calc R . .
H32B H 0.5679 0.2537 0.8587 0.025 Uiso 1 1 calc R . .
C33 C 0.5674(12) 0.2924(8) 0.7533(6) 0.030(3) Uani 1 1 d U . .
H33 H 0.5172 0.2741 0.7147 0.036 Uiso 1 1 calc R . .
C34 C 0.7277(12) 0.2946(9) 0.7259(7) 0.039(4) Uani 1 1 d U . .
H34A H 0.7781 0.3169 0.7615 0.058 Uiso 1 1 calc R . .
H34B H 0.7426 0.3314 0.6823 0.058 Uiso 1 1 calc R . .
H34C H 0.7645 0.2371 0.7163 0.058 Uiso 1 1 calc R . .
C35 C 0.5115(13) 0.3863(9) 0.7701(7) 0.041(4) Uani 1 1 d U . .
H35A H 0.4104 0.3857 0.7898 0.061 Uiso 1 1 calc R . .
H35B H 0.5234 0.4230 0.7265 0.061 Uiso 1 1 calc R . .
H35C H 0.5665 0.4078 0.8042 0.061 Uiso 1 1 calc R . .
C41 C 1.0915(11) -0.1671(7) 0.7849(5) 0.016(3) Uani 1 1 d U . .
C42 C 1.1490(12) -0.2512(8) 0.7507(6) 0.023(3) Uani 1 1 d U . .
H42A H 1.0685 -0.2793 0.7352 0.027 Uiso 1 1 calc R . .
H42B H 1.2182 -0.2370 0.7083 0.027 Uiso 1 1 calc R . .
C43 C 1.2215(12) -0.3137(8) 0.8005(6) 0.022(3) Uani 1 1 d U . .
H43 H 1.3068 -0.2863 0.8130 0.026 Uiso 1 1 calc R . .
C44 C 1.1229(12) -0.3371(8) 0.8689(6) 0.029(3) Uani 1 1 d U . .
H44A H 1.1006 -0.2866 0.8957 0.043 Uiso 1 1 calc R . .
H44B H 1.1706 -0.3806 0.8972 0.043 Uiso 1 1 calc R . .
H44C H 1.0344 -0.3592 0.8575 0.043 Uiso 1 1 calc R . .
C45 C 1.2731(12) -0.3934(8) 0.7617(6) 0.031(3) Uani 1 1 d U . .
H45A H 1.1905 -0.4236 0.7521 0.047 Uiso 1 1 calc R . .
H45B H 1.3296 -0.4306 0.7912 0.047 Uiso 1 1 calc R . .
H45C H 1.3321 -0.3769 0.7171 0.047 Uiso 1 1 calc R . .
C51 C 0.9809(11) 0.2031(8) 0.9286(6) 0.022(3) Uani 1 1 d U . .
C52 C 0.9150(11) 0.2932(8) 0.9274(6) 0.024(3) Uani 1 1 d U . .
H52A H 0.8876 0.3083 0.9768 0.029 Uiso 1 1 calc R . .
H52B H 0.8262 0.2929 0.9057 0.029 Uiso 1 1 calc R . .
C53 C 1.0087(11) 0.3636(7) 0.8881(6) 0.019(3) Uani 1 1 d U . .
H53 H 1.0432 0.3463 0.8393 0.023 Uiso 1 1 calc R . .
C54 C 0.9186(12) 0.4475(8) 0.8826(6) 0.032(3) Uani 1 1 d U . .
H54A H 0.8851 0.4657 0.9300 0.048 Uiso 1 1 calc R . .
H54B H 0.8364 0.4384 0.8585 0.048 Uiso 1 1 calc R . .
H54C H 0.9773 0.4913 0.8557 0.048 Uiso 1 1 calc R . .
C55 C 1.1371(12) 0.3749(8) 0.9249(7) 0.037(3) Uani 1 1 d U . .
H55A H 1.1894 0.4240 0.9026 0.055 Uiso 1 1 calc R . .
H55B H 1.1998 0.3239 0.9213 0.055 Uiso 1 1 calc R . .
H55C H 1.1054 0.3841 0.9747 0.055 Uiso 1 1 calc R . .
C61 C 0.3286(11) -0.1616(8) 0.5184(6) 0.023(3) Uani 1 1 d U . .
C62 C 0.2424(11) -0.2444(8) 0.5280(6) 0.025(3) Uani 1 1 d U . .
H62A H 0.1630 -0.2384 0.5670 0.030 Uiso 1 1 calc R . .
H62B H 0.2000 -0.2507 0.4844 0.030 Uiso 1 1 calc R . .
C63 C 0.3315(11) -0.3256(8) 0.5440(6) 0.022(3) Uani 1 1 d U . .
H63 H 0.3788 -0.3174 0.5863 0.027 Uiso 1 1 calc R . .
C64 C 0.4505(12) -0.3427(9) 0.4807(6) 0.032(3) Uani 1 1 d U . .
H64A H 0.4066 -0.3468 0.4379 0.049 Uiso 1 1 calc R . .
H64B H 0.5027 -0.3960 0.4911 0.049 Uiso 1 1 calc R . .
H64C H 0.5167 -0.2960 0.4737 0.049 Uiso 1 1 calc R . .
C65 C 0.2302(12) -0.4010(8) 0.5620(6) 0.033(3) Uani 1 1 d U . .
H65A H 0.1614 -0.3894 0.6036 0.049 Uiso 1 1 calc R . .
H65B H 0.2863 -0.4530 0.5718 0.049 Uiso 1 1 calc R . .
H65C H 0.1791 -0.4082 0.5219 0.049 Uiso 1 1 calc R . .
C71 C 1.4147(12) 0.1758(10) 1.0467(7) 0.038(4) Uani 1 1 d U . .
C72 C 1.3704(12) 0.2652(9) 1.0763(6) 0.031(3) Uani 1 1 d U . .
H72A H 1.2895 0.2891 1.0528 0.038 Uiso 1 1 calc R . .
H72B H 1.3348 0.2560 1.1272 0.038 Uiso 1 1 calc R . .
C73 C 1.4857(13) 0.3328(9) 1.0679(6) 0.034(3) Uani 1 1 d U . .
H73 H 1.5702 0.3068 1.0884 0.041 Uiso 1 1 calc R . .
C74 C 1.5351(13) 0.3584(9) 0.9891(6) 0.043(4) Uani 1 1 d U . .
H74A H 1.4545 0.3849 0.9678 0.065 Uiso 1 1 calc R . .
H74B H 1.5702 0.3078 0.9645 0.065 Uiso 1 1 calc R . .
H74C H 1.6118 0.3988 0.9853 0.065 Uiso 1 1 calc R . .
C75 C 1.4331(15) 0.4093(10) 1.1092(7) 0.055(4) Uani 1 1 d U . .
H75A H 1.5040 0.4534 1.0995 0.082 Uiso 1 1 calc R . .
H75B H 1.4190 0.3925 1.1597 0.082 Uiso 1 1 calc R . .
H75C H 1.3425 0.4314 1.0948 0.082 Uiso 1 1 calc R . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Au1 0.0184(3) 0.0224(4) 0.0145(3) -0.0015(3) 0.0022(3) -0.0014(3)
Au2 0.0176(2) 0.0202(3) 0.0173(2) 0.00197(19) 0.00329(18) -0.0009(2)
Au3 0.0141(2) 0.0193(3) 0.0175(2) -0.00271(19) 0.00064(18) 0.0001(2)
Au4 0.0124(2) 0.0249(3) 0.0207(2) 0.0042(2) -0.00063(18) -0.0004(2)
Au5 0.0152(2) 0.0194(3) 0.0162(2) -0.00139(19) -0.00012(18) -0.0004(2)
Au6 0.0214(3) 0.0165(4) 0.0167(3) 0.0018(3) 0.0018(3) -0.0024(3)
Au7 0.0239(2) 0.0259(3) 0.0154(2) -0.0017(2) -0.00361(19) 0.0021(2)
Au8 0.0205(2) 0.0623(5) 0.0376(3) 0.0287(3) -0.0143(2) -0.0163(3)
S1 0.0195(15) 0.027(2) 0.0196(16) -0.0046(13) 0.0050(12) -0.0013(14)
S2 0.0200(15) 0.024(2) 0.0163(15) -0.0005(13) 0.0041(12) -0.0014(14)
S3 0.0268(16) 0.0201(19) 0.0222(16) -0.0007(13) 0.0066(13) -0.0049(14)
S4 0.0157(14) 0.0210(19) 0.0197(15) -0.0031(13) -0.0011(12) -0.0007(13)
S5 0.0219(15) 0.024(2) 0.0177(15) -0.0016(13) -0.0040(12) 0.0030(14)
S6 0.0181(15) 0.029(2) 0.0211(16) -0.0062(13) -0.0050(12) -0.0005(14)
S7 0.0155(14) 0.024(2) 0.0345(18) 0.0051(14) -0.0054(13) 0.0029(14)
S8 0.0118(14) 0.026(2) 0.0271(17) -0.0070(14) 0.0010(12) -0.0007(13)
S9 0.0284(16) 0.0171(19) 0.0165(15) -0.0008(12) 0.0024(12) 0.0006(14)
S10 0.0201(15) 0.0199(19) 0.0171(15) 0.0015(13) 0.0028(12) 0.0019(13)
S11 0.0339(18) 0.033(2) 0.0188(16) 0.0031(14) -0.0085(14) -0.0066(16)
S12 0.0275(16) 0.030(2) 0.0204(16) 0.0005(14) -0.0060(13) 0.0031(15)
S13 0.0250(17) 0.060(3) 0.047(2) 0.027(2) -0.0161(16) -0.0140(18)
S14 0.0193(16) 0.089(4) 0.0275(19) 0.0102(19) -0.0064(14) 0.0057(19)
C11 0.019(5) 0.024(6) 0.023(5) 0.006(5) -0.008(4) 0.008(5)
C12 0.017(5) 0.017(6) 0.016(5) 0.003(4) -0.005(4) -0.002(5)
C13 0.020(5) 0.023(6) 0.023(6) -0.009(5) 0.006(4) -0.003(5)
C14 0.044(6) 0.038(7) 0.046(7) -0.009(6) -0.010(6) -0.002(6)
C15 0.032(6) 0.031(7) 0.039(6) -0.006(5) 0.002(5) -0.004(5)
C21 0.014(5) 0.020(6) 0.018(5) -0.001(4) -0.008(4) 0.006(5)
C22 0.023(5) 0.033(7) 0.027(6) -0.004(5) -0.007(5) -0.001(5)
C23 0.034(6) 0.020(6) 0.027(6) -0.001(5) 0.003(5) 0.001(5)
C24 0.031(6) 0.040(7) 0.048(7) 0.007(6) -0.013(5) 0.002(6)
C25 0.056(7) 0.036(7) 0.043(7) -0.005(6) 0.002(6) 0.008(6)
C31 0.019(5) 0.020(6) 0.011(5) 0.004(4) 0.005(4) -0.004(5)
C32 0.020(5) 0.028(7) 0.015(5) -0.009(5) 0.002(4) 0.003(5)
C33 0.023(5) 0.028(7) 0.040(6) -0.008(5) -0.001(5) -0.001(5)
C34 0.035(6) 0.033(7) 0.047(7) 0.000(6) -0.003(5) -0.001(6)
C35 0.034(6) 0.036(7) 0.048(7) 0.001(6) 0.005(5) 0.004(6)
C41 0.015(5) 0.019(6) 0.014(5) 0.000(4) -0.001(4) -0.004(5)
C42 0.021(5) 0.021(6) 0.025(6) 0.004(5) -0.002(5) 0.002(5)
C43 0.026(5) 0.018(6) 0.023(5) -0.002(5) -0.008(5) -0.003(5)
C44 0.041(6) 0.018(6) 0.025(6) 0.006(5) 0.000(5) 0.006(5)
C45 0.032(6) 0.027(7) 0.032(6) -0.001(5) 0.001(5) 0.003(5)
C51 0.019(5) 0.018(6) 0.031(6) 0.001(5) -0.012(5) -0.007(5)
C52 0.024(5) 0.020(6) 0.030(6) -0.006(5) -0.008(5) 0.007(5)
C53 0.026(5) 0.015(6) 0.018(5) -0.002(4) -0.004(4) -0.001(5)
C54 0.036(6) 0.033(7) 0.028(6) -0.004(5) -0.010(5) 0.003(5)
C55 0.037(6) 0.024(7) 0.047(7) 0.001(5) 0.001(5) -0.008(6)
C61 0.012(5) 0.032(7) 0.025(6) -0.001(5) -0.003(4) 0.006(5)
C62 0.016(5) 0.031(7) 0.026(6) -0.002(5) 0.000(5) -0.001(5)
C63 0.022(5) 0.023(6) 0.021(5) 0.000(5) -0.004(4) -0.002(5)
C64 0.023(5) 0.036(7) 0.038(6) -0.006(5) -0.001(5) 0.004(5)
C65 0.029(6) 0.032(7) 0.037(6) -0.002(5) -0.006(5) -0.004(5)
C71 0.025(6) 0.055(8) 0.032(6) 0.022(6) -0.001(5) -0.006(6)
C72 0.021(5) 0.050(8) 0.022(6) 0.014(5) -0.008(5) -0.004(5)
C73 0.026(6) 0.049(8) 0.030(6) -0.006(5) -0.011(5) 0.001(6)
C74 0.038(6) 0.059(8) 0.033(6) -0.004(6) -0.001(5) -0.012(6)
C75 0.052(7) 0.059(8) 0.051(7) -0.001(6) 0.000(6) 0.010(7)

_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;

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 S1 2.303(3) . ?
Au1 Au2 2.9157(4) . ?
Au2 S3 2.294(3) . ?
Au2 S2 2.306(3) . ?
Au2 Au3 2.9658(6) . ?
Au3 S5 2.296(3) . ?
Au3 S4 2.304(3) . ?
Au3 Au4 3.0327(6) . ?
Au3 Au7 3.2910(6) . ?
Au4 S7 2.298(3) . ?
Au4 S6 2.301(3) . ?
Au4 Au5 3.0576(6) . ?
Au5 S8 2.288(3) . ?
Au5 S9 2.291(3) . ?
Au5 Au6 3.0246(4) . ?
Au5 Au8 3.3892(6) . ?
Au6 S10 2.288(3) . ?
Au6 S10 2.288(3) 2_757 ?
Au7 S12 2.296(3) 2_656 ?
Au7 S11 2.297(3) . ?
Au7 Au7 2.8838(8) 2_656 ?
Au8 S13 2.282(4) . ?
Au8 S14 2.296(4) 2_857 ?
Au8 Au8 2.8737(9) 2_857 ?
S1 C11 1.693(12) . ?
S2 C11 1.688(11) . ?
S3 C21 1.666(11) . ?
S4 C21 1.684(11) . ?
S5 C31 1.690(12) . ?
S6 C31 1.663(10) . ?
S7 C41 1.674(10) . ?
S8 C41 1.677(11) . ?
S9 C51 1.669(12) . ?
S10 C51 1.703(11) . ?
S11 C61 1.683(12) . ?
S12 C61 1.694(11) . ?
S13 C71 1.644(14) . ?
S14 C71 1.698(12) . ?
C11 C12 1.546(16) . ?
C12 C13 1.484(15) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C13 C15 1.512(16) . ?
C13 C14 1.515(15) . ?
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 1.544(16) . ?
C22 C23 1.512(15) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 C24 1.512(15) . ?
C23 C25 1.523(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 1.509(15) . ?
C32 C33 1.502(15) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 C34 1.505(15) . ?
C33 C35 1.560(17) . ?
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 1.535(15) . ?
C42 C43 1.502(14) . ?
C42 H42A 0.9700 . ?
C42 H42B 0.9700 . ?
C43 C44 1.502(14) . ?
C43 C45 1.504(16) . ?
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 1.498(15) . ?
C52 C53 1.510(15) . ?
C52 H52A 0.9700 . ?
C52 H52B 0.9700 . ?
C53 C55 1.483(15) . ?
C53 C54 1.519(15) . ?
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 1.529(16) . ?
C62 C63 1.510(15) . ?
C62 H62A 0.9700 . ?
C62 H62B 0.9700 . ?
C63 C65 1.521(15) . ?
C63 C64 1.534(14) . ?
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 1.545(19) . ?
C72 C73 1.515(17) . ?
C72 H72A 0.9700 . ?
C72 H72B 0.9700 . ?
C73 C75 1.489(18) . ?
C73 C74 1.518(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 . ?

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
S1 Au1 S1 180.000(1) . 2_756 ?
S1 Au1 Au2 87.77(7) . . ?
S1 Au1 Au2 92.23(7) 2_756 . ?
S1 Au1 Au2 92.23(7) . 2_756 ?
S1 Au1 Au2 87.77(7) 2_756 2_756 ?
Au2 Au1 Au2 180.0 . 2_756 ?
S3 Au2 S2 169.37(10) . . ?
S3 Au2 Au1 88.48(7) . . ?
S2 Au2 Au1 89.25(7) . . ?
S3 Au2 Au3 88.77(7) . . ?
S2 Au2 Au3 99.61(7) . . ?
Au1 Au2 Au3 139.957(17) . . ?
S5 Au3 S4 161.76(10) . . ?
S5 Au3 Au2 103.58(7) . . ?
S4 Au3 Au2 91.03(7) . . ?
S5 Au3 Au4 89.36(7) . . ?
S4 Au3 Au4 105.58(7) . . ?
Au2 Au3 Au4 72.783(16) . . ?
S5 Au3 Au7 80.45(7) . . ?
S4 Au3 Au7 93.75(7) . . ?
Au2 Au3 Au7 72.968(15) . . ?
Au4 Au3 Au7 140.682(19) . . ?
S7 Au4 S6 175.85(10) . . ?
S7 Au4 Au3 86.24(7) . . ?
S6 Au4 Au3 90.20(7) . . ?
S7 Au4 Au5 88.23(7) . . ?
S6 Au4 Au5 95.91(7) . . ?
Au3 Au4 Au5 145.833(19) . . ?
S8 Au5 S9 157.66(10) . . ?
S8 Au5 Au6 114.17(7) . . ?
S9 Au5 Au6 87.98(7) . . ?
S8 Au5 Au4 90.57(7) . . ?
S9 Au5 Au4 97.96(7) . . ?
Au6 Au5 Au4 76.170(13) . . ?
S8 Au5 Au8 90.11(7) . . ?
S9 Au5 Au8 96.61(7) . . ?
Au6 Au5 Au8 66.511(12) . . ?
Au4 Au5 Au8 139.221(18) . . ?
S10 Au6 S10 180.000(1) . 2_757 ?
S10 Au6 Au5 87.79(7) . 2_757 ?
S10 Au6 Au5 92.21(7) 2_757 2_757 ?
S10 Au6 Au5 92.21(7) . . ?
S10 Au6 Au5 87.79(7) 2_757 . ?
Au5 Au6 Au5 180.0 2_757 . ?
S12 Au7 S11 174.94(11) 2_656 . ?
S12 Au7 Au7 92.86(7) 2_656 2_656 ?
S11 Au7 Au7 91.73(7) . 2_656 ?
S12 Au7 Au3 90.55(7) 2_656 . ?
S11 Au7 Au3 85.01(7) . . ?
Au7 Au7 Au3 175.06(3) 2_656 . ?
S13 Au8 S14 174.70(11) . 2_857 ?
S13 Au8 Au8 92.87(8) . 2_857 ?
S14 Au8 Au8 91.68(8) 2_857 2_857 ?
S13 Au8 Au5 87.31(8) . . ?
S14 Au8 Au5 87.90(8) 2_857 . ?
Au8 Au8 Au5 174.42(3) 2_857 . ?
C11 S1 Au1 111.2(4) . . ?
C11 S2 Au2 109.8(5) . . ?
C21 S3 Au2 114.8(4) . . ?
C21 S4 Au3 111.5(4) . . ?
C31 S5 Au3 113.6(4) . . ?
C31 S6 Au4 112.8(4) . . ?
C41 S7 Au4 114.9(4) . . ?
C41 S8 Au5 113.4(4) . . ?
C51 S9 Au5 117.1(4) . . ?
C51 S10 Au6 112.7(4) . . ?
C61 S11 Au7 112.9(4) . . ?
C61 S12 Au7 111.7(4) . 2_656 ?
C71 S13 Au8 111.6(5) . . ?
C71 S14 Au8 111.4(6) . 2_857 ?
C12 C11 S2 115.7(8) . . ?
C12 C11 S1 116.0(8) . . ?
S2 C11 S1 128.3(8) . . ?
C13 C12 C11 110.4(8) . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C12 C13 C15 108.0(9) . . ?
C12 C13 C14 115.8(10) . . ?
C15 C13 C14 108.7(10) . . ?
C12 C13 H13 108.0 . . ?
C15 C13 H13 108.0 . . ?
C14 C13 H13 108.0 . . ?
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 115.8(8) . . ?
C22 C21 S4 114.4(8) . . ?
S3 C21 S4 129.7(8) . . ?
C23 C22 C21 116.4(10) . . ?
C23 C22 H22A 108.2 . . ?
C21 C22 H22A 108.2 . . ?
C23 C22 H22B 108.2 . . ?
C21 C22 H22B 108.2 . . ?
H22A C22 H22B 107.3 . . ?
C22 C23 C24 110.0(10) . . ?
C22 C23 C25 110.4(10) . . ?
C24 C23 C25 112.7(11) . . ?
C22 C23 H23 107.8 . . ?
C24 C23 H23 107.8 . . ?
C25 C23 H23 107.8 . . ?
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 114.7(8) . . ?
C32 C31 S5 113.7(7) . . ?
S6 C31 S5 131.6(7) . . ?
C33 C32 C31 115.1(9) . . ?
C33 C32 H32A 108.5 . . ?
C31 C32 H32A 108.5 . . ?
C33 C32 H32B 108.5 . . ?
C31 C32 H32B 108.5 . . ?
H32A C32 H32B 107.5 . . ?
C32 C33 C34 114.2(10) . . ?
C32 C33 C35 110.1(10) . . ?
C34 C33 C35 108.3(10) . . ?
C32 C33 H33 108.0 . . ?
C34 C33 H33 108.0 . . ?
C35 C33 H33 108.0 . . ?
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 S7 114.6(8) . . ?
C42 C41 S8 114.7(7) . . ?
S7 C41 S8 130.7(7) . . ?
C43 C42 C41 113.6(9) . . ?
C43 C42 H42A 108.8 . . ?
C41 C42 H42A 108.8 . . ?
C43 C42 H42B 108.8 . . ?
C41 C42 H42B 108.8 . . ?
H42A C42 H42B 107.7 . . ?
C42 C43 C44 112.3(9) . . ?
C42 C43 C45 109.1(10) . . ?
C44 C43 C45 110.7(10) . . ?
C42 C43 H43 108.2 . . ?
C44 C43 H43 108.2 . . ?
C45 C43 H43 108.2 . . ?
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 117.1(8) . . ?
C52 C51 S10 113.4(8) . . ?
S9 C51 S10 129.1(7) . . ?
C51 C52 C53 116.7(9) . . ?
C51 C52 H52A 108.1 . . ?
C53 C52 H52A 108.1 . . ?
C51 C52 H52B 108.1 . . ?
C53 C52 H52B 108.1 . . ?
H52A C52 H52B 107.3 . . ?
C55 C53 C52 110.6(9) . . ?
C55 C53 C54 111.2(10) . . ?
C52 C53 C54 109.7(9) . . ?
C55 C53 H53 108.4 . . ?
C52 C53 H53 108.4 . . ?
C54 C53 H53 108.4 . . ?
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 S11 114.8(8) . . ?
C62 C61 S12 114.5(8) . . ?
S11 C61 S12 130.7(8) . . ?
C63 C62 C61 114.2(9) . . ?
C63 C62 H62A 108.7 . . ?
C61 C62 H62A 108.7 . . ?
C63 C62 H62B 108.7 . . ?
C61 C62 H62B 108.7 . . ?
H62A C62 H62B 107.6 . . ?
C62 C63 C65 109.0(9) . . ?
C62 C63 C64 110.9(9) . . ?
C65 C63 C64 112.1(11) . . ?
C62 C63 H63 108.3 . . ?
C65 C63 H63 108.3 . . ?
C64 C63 H63 108.3 . . ?
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 S13 115.9(8) . . ?
C72 C71 S14 111.7(9) . . ?
S13 C71 S14 132.4(10) . . ?
C73 C72 C71 117.7(10) . . ?
C73 C72 H72A 107.9 . . ?
C71 C72 H72A 107.9 . . ?
C73 C72 H72B 107.9 . . ?
C71 C72 H72B 107.9 . . ?
H72A C72 H72B 107.2 . . ?
C75 C73 C72 110.9(11) . . ?
C75 C73 C74 111.7(12) . . ?
C72 C73 C74 111.2(10) . . ?
C75 C73 H73 107.6 . . ?
C72 C73 H73 107.6 . . ?
C74 C73 H73 107.6 . . ?
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 . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        27.14
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max         2.579
_refine_diff_density_min         -1.602
_refine_diff_density_rms         0.310
_chemical_name_common            
;
''catena-((mu-dithioisopentanoato)gold(i)) bis(mu-
dithioisopentanoato)digold(i)''
;