#------------------------------------------------------------------------------
#$Date: 2016-03-24 14:02:21 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179649 $
#$URL: svn://www.crystallography.net/cod/cif/4/51/02/4510222.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_4510222
loop_
_publ_author_name
'Dainese, Tiziano'
'Antonello, Sabrina'
'Gascón, José A'
'Pan, Fangfang'
'Perera, Neranjan V.'
'Ruzzi, Marco'
'Venzo, Alfonso'
'Zoleo, Alfonso'
'Rissanen, Kari'
'Maran, Flavio'
_publ_section_title
;
 Au25(SEt)18, a Nearly Naked Thiolate-Protected Au25 Cluster: Structural
 Analysis by Single Crystal X-ray Crystallography and Electron Nuclear
 Double Resonance.
;
_journal_issue                   4
_journal_name_full               'ACS nano'
_journal_page_first              3904
_journal_page_last               3912
_journal_paper_doi               10.1021/nn500805n
_journal_volume                  8
_journal_year                    2014
_chemical_formula_moiety         'C36 H90 Au25 S18'
_chemical_formula_sum            'C36 H90 Au25 S18'
_chemical_formula_weight         6024.32
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-12-20
_audit_creation_method
;
Olex2 1.2
(compiled 2013.12.10 svn.r2850 for OlexSys, GUI svn.r4736)
;
_cell_angle_alpha                104.383(3)
_cell_angle_beta                 101.406(3)
_cell_angle_gamma                119.292(4)
_cell_formula_units_Z            1
_cell_length_a                   13.7727(6)
_cell_length_b                   13.8864(6)
_cell_length_c                   14.1519(5)
_cell_measurement_reflns_used    4938
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      76.4800
_cell_measurement_theta_min      4.1510
_cell_volume                     2116.9(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution
;
Superflip (Palatinus & Chapuis, 2007;Palatinus & van der Lee, 2008;
Palatinus et al., 2012)
;
_diffrn_ambient_temperature      123.0
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.947
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0475
_diffrn_reflns_av_unetI/netI     0.0635
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.947
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            13182
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.947
_diffrn_reflns_theta_full        68.000
_diffrn_reflns_theta_max         76.647
_diffrn_reflns_theta_min         3.706
_diffrn_source                   'SuperNova (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    83.388
_exptl_absorpt_correction_T_max  0.553
_exptl_absorpt_correction_T_min  0.342
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
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    4.726
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2569
_exptl_crystal_size_max          0.0738
_exptl_crystal_size_mid          0.0418
_exptl_crystal_size_min          0.0412
_refine_diff_density_max         2.671
_refine_diff_density_min         -2.557
_refine_diff_density_rms         0.438
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     365
_refine_ls_number_reflns         8455
_refine_ls_number_restraints     66
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0747
_refine_ls_R_factor_gt           0.0608
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1026P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1635
_refine_ls_wR_factor_ref         0.1800
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6681
_reflns_number_total             8455
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            nn500805n_si_002.cif
_cod_data_source_block           au25_131031_abs_ana
_cod_depositor_comments          'Adding full bibliography for 4510222.cif.'
_cod_original_cell_volume        2116.91(16)
_cod_database_code               4510222
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2013-4
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1-C2 \\sim C3-C4 \\sim C5-C6 \\sim C7-C8 \\sim C9-C10 \\sim C11-C12 \\sim
C13-C14 \\sim C15-C16 \\sim C17-C18
 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
C7 \\sim C8: within 1.7A with sigma of 0.04 and sigma for terminal atoms of 0.08
C7 \\sim C8: within 1.7A with sigma of 0.02 and sigma for terminal atoms of 0.04
Uanis(C5) \\sim Ueq, Uanis(C8) \\sim Ueq, Uanis(C14) \\sim Ueq, Uanis(C10)
\\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
4.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C3(H3A,H3B), C5(H5A,H5B), C7(H7A,H7B), C9(H9A,H9B), C11(H11A,
 H11B), C13(H13A,H13B), C15(H15A,H15B), C17(H17A,H17B)
4.b Me refined with riding coordinates:
 C6(H6A,H6B,H6C), C14(H14A,H14B,H14C)
4.c Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C4(H4A,H4B,H4C), C8(H8A,H8B,H8C), C10(H10A,H10B,H10C),
 C12(H12A,H12B,H12C), C16(H16A,H16B,H16C), C18(H18A,H18B,H18C)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C1 C 0.111(3) 1.368(3) 0.378(2) 0.097(9) Uani 1 1 d . . .
H1A H 0.0304 1.3492 0.3426 0.117 Uiso 1 1 calc R . .
H1B H 0.0996 1.2964 0.3900 0.117 Uiso 1 1 calc R . .
C2 C 0.174(5) 1.474(4) 0.483(3) 0.17(3) Uani 1 1 d . . .
H2A H 0.1830 1.5440 0.4712 0.254 Uiso 1 1 calc GR . .
H2B H 0.2537 1.4925 0.5179 0.254 Uiso 1 1 calc GR . .
H2C H 0.1268 1.4540 0.5267 0.254 Uiso 1 1 calc GR . .
C3 C 0.476(4) 1.304(3) 0.514(2) 0.118(15) Uani 1 1 d . . .
H3A H 0.5215 1.3899 0.5636 0.142 Uiso 1 1 calc R . .
H3B H 0.3946 1.2621 0.5163 0.142 Uiso 1 1 calc R . .
C4 C 0.538(4) 1.248(4) 0.548(3) 0.15(2) Uani 1 1 d . . .
H4A H 0.4834 1.1601 0.5124 0.232 Uiso 1 1 calc GR . .
H4B H 0.5630 1.2724 0.6244 0.232 Uiso 1 1 calc GR . .
H4C H 0.6096 1.2755 0.5295 0.232 Uiso 1 1 calc GR . .
C5 C 0.363(3) 0.873(4) 0.137(3) 0.118(14) Uani 1 1 d . U .
H5A H 0.3220 0.7919 0.0797 0.141 Uiso 1 1 calc R . .
H5B H 0.4059 0.9350 0.1110 0.141 Uiso 1 1 calc R . .
C6 C 0.448(6) 0.887(5) 0.233(4) 0.19(3) Uani 1 1 d . . .
H6A H 0.4930 0.8544 0.2108 0.288 Uiso 1 1 calc R . .
H6B H 0.4030 0.8438 0.2702 0.288 Uiso 1 1 calc R . .
H6C H 0.5049 0.9731 0.2791 0.288 Uiso 1 1 calc R . .
C7 C 0.164(4) 0.999(3) 0.429(3) 0.111(11) Uani 1 1 d . . .
H7A H 0.2383 1.0270 0.4142 0.133 Uiso 1 1 calc R . .
H7B H 0.1881 1.0281 0.5066 0.133 Uiso 1 1 calc R . .
C8 C 0.089(4) 0.864(3) 0.383(4) 0.152(17) Uani 1 1 d . U .
H8A H 0.1197 0.8342 0.3349 0.228 Uiso 1 1 calc GR . .
H8B H 0.0056 0.8331 0.3453 0.228 Uiso 1 1 calc GR . .
H8C H 0.0935 0.8359 0.4403 0.228 Uiso 1 1 calc GR . .
C9 C 0.206(4) 0.879(3) -0.323(3) 0.110(12) Uani 1 1 d . . .
H9A H 0.1178 0.8366 -0.3536 0.132 Uiso 1 1 calc R . .
H9B H 0.2431 0.9472 -0.3444 0.132 Uiso 1 1 calc R . .
C10 C 0.240(4) 0.793(4) -0.364(3) 0.123(15) Uani 1 1 d . U .
H10A H 0.2086 0.7603 -0.4412 0.184 Uiso 1 1 calc GR . .
H10B H 0.2052 0.7271 -0.3409 0.184 Uiso 1 1 calc GR . .
H10C H 0.3276 0.8365 -0.3367 0.184 Uiso 1 1 calc GR . .
C11 C -0.016(3) 0.473(2) -0.219(2) 0.098(10) Uani 1 1 d . . .
H11A H -0.0515 0.3998 -0.2035 0.118 Uiso 1 1 calc R . .
H11B H -0.0817 0.4795 -0.2516 0.118 Uiso 1 1 calc R . .
C12 C 0.047(3) 0.463(3) -0.292(3) 0.126(16) Uani 1 1 d . . .
H12A H -0.0132 0.4043 -0.3629 0.188 Uiso 1 1 calc GR . .
H12B H 0.0974 0.4370 -0.2674 0.188 Uiso 1 1 calc GR . .
H12C H 0.0968 0.5422 -0.2941 0.188 Uiso 1 1 calc GR . .
C13 C -0.301(3) 0.507(2) -0.010(2) 0.093(9) Uani 1 1 d . . .
H13A H -0.3139 0.4368 0.0067 0.112 Uiso 1 1 calc R . .
H13B H -0.3565 0.5253 0.0101 0.112 Uiso 1 1 calc R . .
C14 C -0.334(3) 0.469(5) -0.126(3) 0.18(3) Uani 1 1 d . U .
H14A H -0.3840 0.3809 -0.1609 0.273 Uiso 1 1 calc R . .
H14B H -0.2608 0.5014 -0.1414 0.273 Uiso 1 1 calc R . .
H14C H -0.3789 0.5008 -0.1511 0.273 Uiso 1 1 calc R . .
C15 C -0.329(3) 0.638(2) 0.237(2) 0.094(10) Uani 1 1 d . . .
H15A H -0.4154 0.5718 0.2088 0.113 Uiso 1 1 calc R . .
H15B H -0.2929 0.6140 0.1900 0.113 Uiso 1 1 calc R . .
C16 C -0.271(5) 0.647(4) 0.344(3) 0.15(2) Uani 1 1 d . . .
H16A H -0.2889 0.5684 0.3387 0.231 Uiso 1 1 calc GR . .
H16B H -0.3036 0.6738 0.3925 0.231 Uiso 1 1 calc GR . .
H16C H -0.1843 0.7061 0.3700 0.231 Uiso 1 1 calc GR . .
C17 C -0.551(2) 0.722(3) -0.144(3) 0.119(15) Uani 1 1 d . . .
H17A H -0.5751 0.7137 -0.2173 0.143 Uiso 1 1 calc R . .
H17B H -0.6237 0.6618 -0.1356 0.143 Uiso 1 1 calc R . .
C18 C -0.508(3) 0.846(3) -0.072(3) 0.123(14) Uani 1 1 d . . .
H18A H -0.5484 0.8754 -0.1087 0.184 Uiso 1 1 calc GR . .
H18B H -0.4213 0.9002 -0.0505 0.184 Uiso 1 1 calc GR . .
H18C H -0.5278 0.8427 -0.0091 0.184 Uiso 1 1 calc GR . .
S1 S 0.1968(5) 1.4001(5) 0.2946(5) 0.0732(16) Uani 1 1 d . . .
S2 S 0.4626(6) 1.2966(6) 0.3829(5) 0.0819(18) Uani 1 1 d . . .
S3 S 0.2547(6) 0.8902(7) 0.1824(5) 0.0825(19) Uani 1 1 d . . .
S4 S 0.0933(6) 1.0660(6) 0.3820(5) 0.0784(16) Uani 1 1 d . . .
S5 S 0.2584(6) 0.9349(6) -0.1808(5) 0.0718(14) Uani 1 1 d . . .
S6 S 0.0912(6) 0.6054(5) -0.0967(5) 0.0674(13) Uani 1 1 d . . .
S7 S -0.1508(6) 0.6327(5) 0.0723(5) 0.0703(14) Uani 1 1 d . . .
S8 S -0.3138(6) 0.7781(6) 0.2337(6) 0.0779(16) Uani 1 1 d . . .
S9 S -0.4406(5) 0.6866(6) -0.1195(6) 0.0784(17) Uani 1 1 d . . .
Au1 Au 0.0000 1.0000 0.0000 0.0453(2) Uani 1 2 d S T P
Au2 Au -0.14181(8) 1.00270(7) 0.11641(7) 0.0576(2) Uani 1 1 d . . .
Au3 Au 0.12930(7) 0.90301(7) 0.05074(7) 0.0572(2) Uani 1 1 d . . .
Au4 Au 0.10197(8) 1.05855(8) 0.21366(6) 0.0592(2) Uani 1 1 d . . .
Au5 Au 0.06960(8) 1.22518(7) 0.13656(7) 0.0604(2) Uani 1 1 d . . .
Au6 Au 0.24960(7) 1.15929(7) 0.10651(7) 0.0593(2) Uani 1 1 d . . .
Au7 Au -0.11350(8) 0.81328(7) 0.06491(8) 0.0607(2) Uani 1 1 d . . .
Au8 Au -0.10941(9) 0.91906(9) 0.29580(8) 0.0692(3) Uani 1 1 d . . .
Au9 Au 0.35195(9) 1.09441(9) 0.27494(8) 0.0714(3) Uani 1 1 d . . .
Au10 Au 0.15958(9) 0.76914(8) -0.14096(8) 0.0657(2) Uani 1 1 d . . .
Au11 Au 0.32131(9) 1.33746(9) 0.33142(9) 0.0775(3) Uani 1 1 d . . .
Au12 Au -0.02817(8) 0.62920(8) -0.01404(8) 0.0641(2) Uani 1 1 d . . .
Au13 Au -0.36608(9) 0.74155(9) 0.05945(10) 0.0733(3) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 '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
H1A C1 H1B 108.0 . .
C2 C1 H1A 109.5 . .
C2 C1 H1B 109.5 . .
C2 C1 S1 111(3) . .
S1 C1 H1A 109.5 . .
S1 C1 H1B 109.5 . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2B 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
H3A C3 H3B 107.9 . .
C4 C3 H3A 109.2 . .
C4 C3 H3B 109.2 . .
C4 C3 S2 112(3) . .
S2 C3 H3A 109.2 . .
S2 C3 H3B 109.2 . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4B 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
H5A C5 H5B 108.9 . .
C6 C5 H5A 110.8 . .
C6 C5 H5B 110.8 . .
C6 C5 S3 105(3) . .
S3 C5 H5A 110.8 . .
S3 C5 H5B 110.8 . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
H7A C7 H7B 107.4 . .
C8 C7 H7A 108.4 . .
C8 C7 H7B 108.4 . .
C8 C7 S4 116(3) . .
S4 C7 H7A 108.4 . .
S4 C7 H7B 108.4 . .
C7 C8 H8A 109.5 . .
C7 C8 H8B 109.5 . .
C7 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
H9A C9 H9B 108.2 . .
C10 C9 H9A 109.8 . .
C10 C9 H9B 109.8 . .
C10 C9 S5 110(3) . .
S5 C9 H9A 109.8 . .
S5 C9 H9B 109.8 . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
H11A C11 H11B 108.2 . .
C12 C11 H11A 109.8 . .
C12 C11 H11B 109.8 . .
C12 C11 S6 109(2) . .
S6 C11 H11A 109.8 . .
S6 C11 H11B 109.8 . .
C11 C12 H12A 109.5 . .
C11 C12 H12B 109.5 . .
C11 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
H13A C13 H13B 107.3 . .
C14 C13 H13A 108.1 . .
C14 C13 H13B 108.1 . .
C14 C13 S7 117(2) . .
S7 C13 H13A 108.1 . .
S7 C13 H13B 108.1 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
H15A C15 H15B 107.5 . .
C16 C15 H15A 108.4 . .
C16 C15 H15B 108.4 . .
C16 C15 S8 115(2) . .
S8 C15 H15A 108.4 . .
S8 C15 H15B 108.4 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
H17A C17 H17B 107.6 . .
C18 C17 H17A 108.7 . .
C18 C17 H17B 108.7 . .
C18 C17 S9 114.1(17) . .
S9 C17 H17A 108.7 . .
S9 C17 H17B 108.7 . .
C17 C18 H18A 109.5 . .
C17 C18 H18B 109.5 . .
C17 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C1 S1 Au5 102.5(9) . .
C1 S1 Au11 105.5(12) . .
Au11 S1 Au5 89.9(2) . .
C3 S2 Au9 105.9(10) . .
C3 S2 Au11 105.3(14) . .
Au9 S2 Au11 99.4(2) . .
C5 S3 Au3 110.3(13) . .
C5 S3 Au9 105.6(13) . .
Au9 S3 Au3 87.6(2) . .
C7 S4 Au4 108.6(13) . .
C7 S4 Au8 108.0(13) . .
Au8 S4 Au4 87.5(2) . .
C9 S5 Au2 111.1(11) . 2_575
C9 S5 Au10 106.6(14) . .
Au10 S5 Au2 86.9(2) . 2_575
C11 S6 Au10 106.3(11) . .
C11 S6 Au12 103.6(11) . .
Au12 S6 Au10 99.6(2) . .
C13 S7 Au7 112.7(12) . .
C13 S7 Au12 107.8(10) . .
Au12 S7 Au7 92.9(2) . .
C15 S8 Au8 104.3(9) . .
C15 S8 Au13 103.7(10) . .
Au13 S8 Au8 100.9(3) . .
C17 S9 Au6 112.8(13) . 2_575
C17 S9 Au13 105.9(12) . .
Au13 S9 Au6 89.95(19) . 2_575
Au2 Au1 Au2 180.00(6) 2_575 .
Au3 Au1 Au2 64.08(3) 2_575 .
Au3 Au1 Au2 64.08(3) . 2_575
Au3 Au1 Au2 115.92(3) 2_575 2_575
Au3 Au1 Au2 115.92(3) . .
Au3 Au1 Au3 180.0 . 2_575
Au3 Au1 Au6 62.18(3) 2_575 2_575
Au3 Au1 Au6 117.82(3) . 2_575
Au3 Au1 Au6 117.82(3) 2_575 .
Au3 Au1 Au6 62.18(3) . .
Au4 Au1 Au2 64.41(3) 2_575 2_575
Au4 Au1 Au2 115.59(3) . 2_575
Au4 Au1 Au2 64.41(3) . .
Au4 Au1 Au2 115.59(3) 2_575 .
Au4 Au1 Au3 115.85(3) . 2_575
Au4 Au1 Au3 64.15(3) 2_575 2_575
Au4 Au1 Au3 64.15(3) . .
Au4 Au1 Au3 115.85(3) 2_575 .
Au4 Au1 Au4 180.0 . 2_575
Au4 Au1 Au5 64.40(3) . .
Au4 Au1 Au5 115.60(3) 2_575 .
Au4 Au1 Au5 115.60(3) . 2_575
Au4 Au1 Au5 64.40(3) 2_575 2_575
Au4 Au1 Au6 60.35(3) . .
Au4 Au1 Au6 119.64(3) 2_575 .
Au4 Au1 Au6 119.64(3) . 2_575
Au4 Au1 Au6 60.36(3) 2_575 2_575
Au4 Au1 Au7 64.73(3) . .
Au4 Au1 Au7 64.73(3) 2_575 2_575
Au4 Au1 Au7 115.27(3) . 2_575
Au4 Au1 Au7 115.27(3) 2_575 .
Au5 Au1 Au2 116.94(3) 2_575 .
Au5 Au1 Au2 63.06(3) 2_575 2_575
Au5 Au1 Au2 63.06(3) . .
Au5 Au1 Au2 116.94(3) . 2_575
Au5 Au1 Au3 120.35(2) . .
Au5 Au1 Au3 120.34(2) 2_575 2_575
Au5 Au1 Au3 59.65(2) . 2_575
Au5 Au1 Au3 59.65(2) 2_575 .
Au5 Au1 Au5 180.0 2_575 .
Au5 Au1 Au6 67.41(3) . .
Au5 Au1 Au6 112.59(3) 2_575 .
Au5 Au1 Au6 112.59(3) . 2_575
Au5 Au1 Au6 67.41(3) 2_575 2_575
Au5 Au1 Au7 114.85(3) . .
Au5 Au1 Au7 114.85(3) 2_575 2_575
Au5 Au1 Au7 65.16(3) . 2_575
Au5 Au1 Au7 65.15(3) 2_575 .
Au6 Au1 Au2 116.96(3) . .
Au6 Au1 Au2 63.04(3) . 2_575
Au6 Au1 Au2 116.96(3) 2_575 2_575
Au6 Au1 Au2 63.04(3) 2_575 .
Au6 Au1 Au6 180.0 . 2_575
Au7 Au1 Au2 120.23(3) 2_575 .
Au7 Au1 Au2 59.77(3) . .
Au7 Au1 Au2 59.77(3) 2_575 2_575
Au7 Au1 Au2 120.23(3) . 2_575
Au7 Au1 Au3 65.28(3) 2_575 2_575
Au7 Au1 Au3 65.28(3) . .
Au7 Au1 Au3 114.72(3) 2_575 .
Au7 Au1 Au3 114.72(3) . 2_575
Au7 Au1 Au6 115.50(3) 2_575 2_575
Au7 Au1 Au6 64.50(3) . 2_575
Au7 Au1 Au6 64.50(3) 2_575 .
Au7 Au1 Au6 115.50(3) . .
Au7 Au1 Au7 180.00(3) . 2_575
S5 Au2 Au1 154.48(18) 2_575 .
S5 Au2 Au3 97.36(17) 2_575 2_575
S5 Au2 Au4 133.77(16) 2_575 .
S5 Au2 Au5 104.43(16) 2_575 .
S5 Au2 Au6 116.52(16) 2_575 2_575
S5 Au2 Au7 143.50(17) 2_575 .
S5 Au2 Au8 90.56(17) 2_575 .
S5 Au2 Au10 45.55(17) 2_575 2_575
S5 Au2 Au13 83.62(16) 2_575 .
Au1 Au2 Au3 57.90(3) . 2_575
Au1 Au2 Au4 57.54(2) . .
Au1 Au2 Au5 58.23(3) . .
Au1 Au2 Au6 58.46(2) . 2_575
Au1 Au2 Au8 113.43(3) . .
Au1 Au2 Au10 110.12(4) . 2_575
Au1 Au2 Au13 112.27(3) . .
Au3 Au2 Au4 105.39(4) 2_575 .
Au3 Au2 Au8 170.03(4) 2_575 .
Au3 Au2 Au10 60.05(3) 2_575 2_575
Au3 Au2 Au13 117.85(4) 2_575 .
Au4 Au2 Au8 64.66(3) . .
Au4 Au2 Au10 116.60(4) . 2_575
Au4 Au2 Au13 117.90(4) . .
Au5 Au2 Au3 56.24(3) . 2_575
Au5 Au2 Au4 60.43(3) . .
Au5 Au2 Au6 105.20(4) . 2_575
Au5 Au2 Au8 115.91(4) . .
Au5 Au2 Au10 62.57(3) . 2_575
Au5 Au2 Au13 170.20(4) . .
Au6 Au2 Au3 58.68(3) 2_575 2_575
Au6 Au2 Au4 109.69(4) 2_575 .
Au6 Au2 Au8 122.70(4) 2_575 .
Au6 Au2 Au10 109.76(4) 2_575 2_575
Au6 Au2 Au13 65.71(3) 2_575 .
Au7 Au2 Au1 59.96(3) . .
Au7 Au2 Au3 109.64(4) . 2_575
Au7 Au2 Au4 62.30(3) . .
Au7 Au2 Au5 110.85(4) . .
Au7 Au2 Au6 62.90(3) . 2_575
Au7 Au2 Au8 66.04(3) . .
Au7 Au2 Au10 169.49(5) . 2_575
Au7 Au2 Au13 62.39(3) . .
Au8 Au2 Au10 123.74(4) . 2_575
Au8 Au2 Au13 68.91(3) . .
Au13 Au2 Au10 122.89(4) . 2_575
S3 Au3 Au1 148.78(18) . .
S3 Au3 Au2 139.7(2) . 2_575
S3 Au3 Au4 91.16(18) . .
S3 Au3 Au5 145.69(18) . 2_575
S3 Au3 Au6 103.92(18) . .
S3 Au3 Au7 111.8(2) . .
S3 Au3 Au9 45.14(17) . .
S3 Au3 Au10 96.84(18) . .
S3 Au3 Au12 81.51(18) . .
Au1 Au3 Au2 58.02(2) . 2_575
Au1 Au3 Au4 57.74(2) . .
Au1 Au3 Au6 58.95(2) . .
Au1 Au3 Au7 57.28(2) . .
Au1 Au3 Au9 108.64(3) . .
Au1 Au3 Au10 113.80(3) . .
Au1 Au3 Au12 113.97(3) . .
Au2 Au3 Au7 108.25(3) 2_575 .
Au2 Au3 Au9 113.43(4) 2_575 .
Au2 Au3 Au10 64.20(3) 2_575 .
Au2 Au3 Au12 118.82(4) 2_575 .
Au4 Au3 Au2 105.60(3) . 2_575
Au4 Au3 Au7 59.91(3) . .
Au4 Au3 Au9 60.30(3) . .
Au4 Au3 Au10 169.80(4) . .
Au4 Au3 Au12 118.42(4) . .
Au5 Au3 Au1 59.98(2) 2_575 .
Au5 Au3 Au2 61.00(3) 2_575 2_575
Au5 Au3 Au4 110.37(4) 2_575 .
Au5 Au3 Au6 110.15(4) 2_575 .
Au5 Au3 Au7 62.32(3) 2_575 .
Au5 Au3 Au9 168.59(4) 2_575 .
Au5 Au3 Au10 65.72(3) 2_575 .
Au5 Au3 Au12 64.91(3) 2_575 .
Au6 Au3 Au2 59.93(3) . 2_575
Au6 Au3 Au4 57.29(3) . .
Au6 Au3 Au7 106.41(4) . .
Au6 Au3 Au9 59.87(3) . .
Au6 Au3 Au10 114.28(4) . .
Au6 Au3 Au12 172.73(4) . .
Au7 Au3 Au9 113.42(4) . .
Au7 Au3 Au10 121.96(4) . .
Au7 Au3 Au12 66.77(3) . .
Au10 Au3 Au9 122.22(4) . .
Au12 Au3 Au9 124.39(4) . .
Au12 Au3 Au10 69.27(3) . .
S4 Au4 Au1 153.39(17) . .
S4 Au4 Au2 96.37(18) . .
S4 Au4 Au3 132.70(19) . .
S4 Au4 Au5 117.79(19) . .
S4 Au4 Au6 145.35(16) . .
S4 Au4 Au7 103.32(16) . .
S4 Au4 Au8 45.10(16) . .
S4 Au4 Au9 92.74(18) . .
S4 Au4 Au11 87.27(16) . .
Au1 Au4 Au2 58.05(2) . .
Au1 Au4 Au3 58.12(2) . .
Au1 Au4 Au5 57.82(2) . .
Au1 Au4 Au6 60.07(3) . .
Au1 Au4 Au7 57.74(2) . .
Au1 Au4 Au8 109.25(3) . .
Au1 Au4 Au9 112.28(4) . .
Au1 Au4 Au11 110.01(4) . .
Au2 Au4 Au7 55.73(3) . .
Au2 Au4 Au8 59.28(3) . .
Au2 Au4 Au9 169.86(4) . .
Au2 Au4 Au11 117.20(4) . .
Au3 Au4 Au2 106.00(3) . .
Au3 Au4 Au5 109.44(4) . .
Au3 Au4 Au7 60.88(3) . .
Au3 Au4 Au8 115.98(4) . .
Au3 Au4 Au9 64.28(3) . .
Au3 Au4 Au11 116.43(4) . .
Au5 Au4 Au2 58.86(3) . .
Au5 Au4 Au7 104.26(3) . .
Au5 Au4 Au8 110.03(4) . .
Au5 Au4 Au9 120.14(4) . .
Au5 Au4 Au11 64.37(3) . .
Au6 Au4 Au2 111.20(4) . .
Au6 Au4 Au3 60.02(3) . .
Au6 Au4 Au5 64.83(3) . .
Au6 Au4 Au7 109.39(4) . .
Au6 Au4 Au8 169.31(4) . .
Au6 Au4 Au9 62.16(3) . .
Au6 Au4 Au11 61.95(3) . .
Au7 Au4 Au8 61.86(3) . .
Au7 Au4 Au9 117.71(4) . .
Au7 Au4 Au11 167.51(4) . .
Au9 Au4 Au8 126.45(4) . .
Au9 Au4 Au11 67.57(3) . .
Au11 Au4 Au8 125.50(4) . .
S1 Au5 Au1 151.65(16) . .
S1 Au5 Au2 124.1(2) . .
S1 Au5 Au3 147.98(16) . 2_575
S1 Au5 Au4 97.34(17) . .
S1 Au5 Au6 99.29(17) . .
S1 Au5 Au7 125.78(19) . 2_575
S1 Au5 Au10 91.67(17) . 2_575
S1 Au5 Au11 44.36(16) . .
S1 Au5 Au12 91.90(17) . 2_575
Au1 Au5 Au2 58.71(2) . .
Au1 Au5 Au4 57.78(2) . .
Au1 Au5 Au6 56.49(2) . .
Au1 Au5 Au7 57.51(2) . 2_575
Au1 Au5 Au10 111.26(3) . 2_575
Au1 Au5 Au11 107.47(3) . .
Au1 Au5 Au12 111.92(3) . 2_575
Au2 Au5 Au4 60.71(3) . .
Au2 Au5 Au6 104.86(3) . .
Au2 Au5 Au7 109.84(3) . 2_575
Au2 Au5 Au10 63.50(3) . 2_575
Au2 Au5 Au11 116.05(4) . .
Au2 Au5 Au12 117.83(4) . 2_575
Au3 Au5 Au1 60.36(2) 2_575 .
Au3 Au5 Au2 62.76(3) 2_575 .
Au3 Au5 Au4 110.77(3) 2_575 .
Au3 Au5 Au6 109.15(4) 2_575 .
Au3 Au5 Au7 62.72(3) 2_575 2_575
Au3 Au5 Au10 62.19(3) 2_575 2_575
Au3 Au5 Au11 167.11(4) 2_575 .
Au3 Au5 Au12 62.02(3) 2_575 2_575
Au4 Au5 Au6 55.06(3) . .
Au4 Au5 Au7 104.13(4) . 2_575
Au4 Au5 Au10 117.66(4) . 2_575
Au4 Au5 Au11 61.26(3) . .
Au4 Au5 Au12 169.35(4) . 2_575
Au6 Au5 Au10 167.44(4) . 2_575
Au6 Au5 Au11 58.15(3) . .
Au6 Au5 Au12 118.23(4) . 2_575
Au7 Au5 Au6 58.51(3) 2_575 .
Au7 Au5 Au10 119.19(4) 2_575 2_575
Au7 Au5 Au11 108.02(4) 2_575 .
Au7 Au5 Au12 65.90(3) 2_575 2_575
Au10 Au5 Au11 129.87(4) 2_575 .
Au12 Au5 Au10 67.12(3) 2_575 2_575
Au12 Au5 Au11 124.13(4) 2_575 .
S9 Au6 Au1 150.70(19) 2_575 .
S9 Au6 Au2 101.41(19) 2_575 2_575
S9 Au6 Au3 133.82(18) 2_575 .
S9 Au6 Au4 147.01(19) 2_575 .
S9 Au6 Au5 118.10(18) 2_575 .
S9 Au6 Au7 93.95(19) 2_575 2_575
S9 Au6 Au9 94.82(19) 2_575 .
S9 Au6 Au11 84.07(18) 2_575 .
S9 Au6 Au13 44.13(18) 2_575 2_575
Au1 Au6 Au2 58.50(2) . 2_575
Au1 Au6 Au3 58.87(2) . .
Au1 Au6 Au4 59.58(2) . .
Au1 Au6 Au5 56.10(2) . .
Au1 Au6 Au7 57.63(2) . 2_575
Au1 Au6 Au9 113.42(4) . .
Au1 Au6 Au11 112.28(4) . .
Au1 Au6 Au13 108.02(3) . 2_575
Au2 Au6 Au5 104.36(3) 2_575 .
Au2 Au6 Au7 56.24(3) 2_575 2_575
Au2 Au6 Au9 119.86(4) 2_575 .
Au2 Au6 Au11 168.34(4) 2_575 .
Au2 Au6 Au13 60.43(3) 2_575 2_575
Au3 Au6 Au2 61.39(3) . 2_575
Au3 Au6 Au5 107.89(4) . .
Au3 Au6 Au7 106.49(3) . 2_575
Au3 Au6 Au9 65.79(3) . .
Au3 Au6 Au11 121.76(5) . .
Au3 Au6 Au13 115.56(4) . 2_575
Au4 Au6 Au2 110.99(3) . 2_575
Au4 Au6 Au3 62.69(3) . .
Au4 Au6 Au5 60.11(3) . .
Au4 Au6 Au7 108.84(4) . 2_575
Au4 Au6 Au9 64.03(4) . .
Au4 Au6 Au11 65.28(4) . .
Au4 Au6 Au13 167.08(4) . 2_575
Au5 Au6 Au11 64.05(3) . .
Au5 Au6 Au13 110.95(4) . 2_575
Au7 Au6 Au5 59.14(3) 2_575 .
Au7 Au6 Au9 171.03(4) 2_575 .
Au7 Au6 Au11 113.50(4) 2_575 .
Au7 Au6 Au13 58.65(3) 2_575 2_575
Au9 Au6 Au5 117.66(4) . .
Au9 Au6 Au11 69.36(3) . .
Au9 Au6 Au13 128.03(4) . 2_575
Au11 Au6 Au13 120.95(4) . 2_575
S7 Au7 Au1 149.15(17) . .
S7 Au7 Au2 150.56(17) . .
S7 Au7 Au3 95.68(17) . .
S7 Au7 Au4 124.74(17) . .
S7 Au7 Au5 95.96(16) . 2_575
S7 Au7 Au6 126.84(17) . 2_575
S7 Au7 Au8 94.61(16) . .
S7 Au7 Au12 42.97(17) . .
S7 Au7 Au13 91.57(17) . .
Au1 Au7 Au3 57.44(2) . .
Au1 Au7 Au4 57.52(2) . .
Au1 Au7 Au5 57.33(3) . 2_575
Au1 Au7 Au6 57.86(2) . 2_575
Au1 Au7 Au8 110.03(3) . .
Au1 Au7 Au12 106.19(4) . .
Au1 Au7 Au13 114.35(4) . .
Au2 Au7 Au1 60.27(3) . .
Au2 Au7 Au3 109.69(4) . .
Au2 Au7 Au4 61.98(3) . .
Au2 Au7 Au5 110.61(4) . 2_575
Au2 Au7 Au6 60.86(3) . 2_575
Au2 Au7 Au8 61.45(3) . .
Au2 Au7 Au12 166.22(5) . .
Au2 Au7 Au13 64.62(3) . .
Au3 Au7 Au8 115.54(4) . .
Au3 Au7 Au12 57.39(3) . .
Au3 Au7 Au13 171.51(4) . .
Au4 Au7 Au3 59.21(3) . .
Au4 Au7 Au5 103.84(4) . 2_575
Au4 Au7 Au8 63.01(3) . .
Au4 Au7 Au12 109.70(4) . .
Au4 Au7 Au13 119.56(4) . .
Au5 Au7 Au3 54.96(3) 2_575 .
Au5 Au7 Au8 166.47(4) 2_575 .
Au5 Au7 Au12 59.11(3) 2_575 .
Au5 Au7 Au13 119.92(4) 2_575 .
Au6 Au7 Au3 106.06(4) 2_575 .
Au6 Au7 Au4 107.94(4) 2_575 .
Au6 Au7 Au5 62.35(3) 2_575 2_575
Au6 Au7 Au8 116.83(4) 2_575 .
Au6 Au7 Au12 115.59(4) 2_575 .
Au6 Au7 Au13 65.86(3) 2_575 .
Au8 Au7 Au12 126.43(4) . .
Au13 Au7 Au8 68.10(4) . .
Au13 Au7 Au12 127.56(4) . .
S4 Au8 S8 171.5(3) . .
S4 Au8 Au2 95.43(18) . .
S4 Au8 Au4 47.38(17) . .
S4 Au8 Au7 99.05(18) . .
S8 Au8 Au2 90.7(2) . .
S8 Au8 Au4 140.9(2) . .
S8 Au8 Au7 89.31(19) . .
Au2 Au8 Au4 56.06(3) . .
Au2 Au8 Au7 52.51(3) . .
Au7 Au8 Au4 55.12(3) . .
S2 Au9 Au3 139.54(17) . .
S2 Au9 Au4 96.16(18) . .
S2 Au9 Au6 86.18(18) . .
S3 Au9 S2 173.2(2) . .
S3 Au9 Au3 47.24(15) . .
S3 Au9 Au4 88.71(17) . .
S3 Au9 Au6 100.53(16) . .
Au4 Au9 Au3 55.42(3) . .
Au6 Au9 Au3 54.34(3) . .
Au6 Au9 Au4 53.80(3) . .
S5 Au10 Au2 47.52(15) . 2_575
S5 Au10 Au3 95.21(16) . .
S5 Au10 Au5 98.07(16) . 2_575
S6 Au10 S5 170.1(2) . .
S6 Au10 Au2 140.80(17) . 2_575
S6 Au10 Au3 89.52(16) . .
S6 Au10 Au5 91.67(16) . 2_575
Au3 Au10 Au2 55.75(3) . 2_575
Au3 Au10 Au5 52.09(3) . 2_575
Au5 Au10 Au2 53.93(3) 2_575 2_575
S1 Au11 S2 173.47(19) . .
S1 Au11 Au4 92.34(14) . .
S1 Au11 Au5 45.72(12) . .
S1 Au11 Au6 100.22(15) . .
S2 Au11 Au4 93.90(16) . .
S2 Au11 Au5 140.59(15) . .
S2 Au11 Au6 85.13(17) . .
Au4 Au11 Au5 54.37(3) . .
Au6 Au11 Au4 52.77(3) . .
Au6 Au11 Au5 57.80(3) . .
S6 Au12 Au3 90.72(15) . .
S6 Au12 Au5 93.34(15) . 2_575
S6 Au12 Au7 142.86(15) . .
S7 Au12 S6 172.9(2) . .
S7 Au12 Au3 95.32(14) . .
S7 Au12 Au5 93.23(16) . 2_575
S7 Au12 Au7 44.16(15) . .
Au3 Au12 Au5 53.06(3) . 2_575
Au3 Au12 Au7 55.85(3) . .
Au5 Au12 Au7 55.00(3) 2_575 .
S8 Au13 S9 173.4(2) . .
S8 Au13 Au2 89.51(17) . .
S8 Au13 Au6 140.70(17) . 2_575
S8 Au13 Au7 92.79(17) . .
S9 Au13 Au2 96.79(16) . .
S9 Au13 Au6 45.91(15) . 2_575
S9 Au13 Au7 92.63(16) . .
Au2 Au13 Au6 53.85(3) . 2_575
Au7 Au13 Au2 52.98(3) . .
Au7 Au13 Au6 55.48(3) . 2_575
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C1 C2 1.50(2) .
C1 S1 1.82(4) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C3 C4 1.50(2) .
C3 S2 1.80(3) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C5 C6 1.50(2) .
C5 S3 1.83(4) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C7 C8 1.49(2) .
C7 S4 1.79(3) .
C8 H8A 0.9800 .
C8 H8B 0.9800 .
C8 H8C 0.9800 .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C9 C10 1.51(2) .
C9 S5 1.81(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C11 C12 1.50(2) .
C11 S6 1.81(3) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C13 C14 1.49(2) .
C13 S7 1.78(3) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C15 C16 1.50(2) .
C15 S8 1.87(3) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C17 C18 1.50(2) .
C17 S9 1.81(3) .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
S1 Au5 2.358(5) .
S1 Au11 2.303(7) .
S2 Au9 2.303(6) .
S2 Au11 2.315(7) .
S3 Au3 2.383(6) .
S3 Au9 2.301(7) .
S4 Au4 2.389(7) .
S4 Au8 2.299(7) .
S5 Au2 2.389(6) 2_575
S5 Au10 2.312(7) .
S6 Au10 2.302(6) .
S6 Au12 2.297(7) .
S7 Au7 2.335(6) .
S7 Au12 2.284(7) .
S8 Au8 2.303(7) .
S8 Au13 2.276(8) .
S9 Au6 2.374(6) 2_575
S9 Au13 2.301(8) .
Au1 Au2 2.8007(9) .
Au1 Au2 2.8006(9) 2_575
Au1 Au3 2.7968(8) .
Au1 Au3 2.7968(8) 2_575
Au1 Au4 2.7852(8) .
Au1 Au4 2.7852(8) 2_575
Au1 Au5 2.7863(8) 2_575
Au1 Au5 2.7863(8) .
Au1 Au6 2.7992(8) 2_575
Au1 Au6 2.7992(8) .
Au1 Au7 2.7920(9) .
Au1 Au7 2.7921(9) 2_575
Au2 S5 2.389(6) 2_575
Au2 Au3 2.9697(14) 2_575
Au2 Au4 2.9770(12) .
Au2 Au5 2.9215(13) .
Au2 Au6 2.9275(12) 2_575
Au2 Au7 2.7867(12) .
Au2 Au8 3.0849(15) .
Au2 Au10 3.2348(12) 2_575
Au2 Au13 3.1533(13) .
Au3 Au2 2.9696(14) 2_575
Au3 Au4 2.9642(13) .
Au3 Au5 2.7770(11) 2_575
Au3 Au6 2.8897(12) .
Au3 Au7 3.0144(13) .
Au3 Au9 3.2437(11) .
Au3 Au10 3.1130(13) .
Au3 Au12 3.0682(12) .
Au4 Au5 2.9689(13) .
Au4 Au6 2.8072(15) .
Au4 Au7 2.9857(12) .
Au4 Au8 3.2431(15) .
Au4 Au9 3.1274(13) .
Au4 Au11 3.2027(13) .
Au5 Au3 2.7770(11) 2_575
Au5 Au6 3.0995(13) .
Au5 Au7 3.0036(15) 2_575
Au5 Au10 3.2082(14) 2_575
Au5 Au11 3.2935(13) .
Au5 Au12 3.1466(13) 2_575
Au6 S9 2.374(6) 2_575
Au6 Au2 2.9276(12) 2_575
Au6 Au7 2.9837(13) 2_575
Au6 Au9 3.0760(14) .
Au6 Au11 3.1114(14) .
Au6 Au13 3.3047(16) 2_575
Au7 Au5 3.0036(15) 2_575
Au7 Au6 2.9837(13) 2_575
Au7 Au8 3.2092(15) .
Au7 Au12 3.3472(13) .
Au7 Au13 3.0927(14) .
Au10 Au2 3.2348(12) 2_575
Au10 Au5 3.2082(14) 2_575
Au12 Au5 3.1466(13) 2_575
Au13 Au6 3.3046(16) 2_575
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C2 C1 S1 Au5 -176(3) .
C2 C1 S1 Au11 90(3) .
C4 C3 S2 Au9 60(3) .
C4 C3 S2 Au11 165(3) .
C6 C5 S3 Au3 171(3) .
C6 C5 S3 Au9 77(4) .
C8 C7 S4 Au4 -79(4) .
C8 C7 S4 Au8 14(4) .
C10 C9 S5 Au2 -155(3) 2_575
C10 C9 S5 Au10 -62(3) .
C12 C11 S6 Au10 62(3) .
C12 C11 S6 Au12 167(2) .
C14 C13 S7 Au7 67(4) .
C14 C13 S7 Au12 -34(4) .
C16 C15 S8 Au8 60(3) .
C16 C15 S8 Au13 166(3) .
C18 C17 S9 Au6 -49(3) 2_575
C18 C17 S9 Au13 48(3) .
