#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:26:17 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179019 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/17/4121797.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_4121797
loop_
_publ_author_name
'Yang, Huayan'
'Wang, Yu'
'Yan, Juanzhu'
'Chen, Xi'
'Zhang, Xin'
'Häkkinen, Hannu'
'Zheng, Nanfeng'
_publ_section_title
;
 Structural Evolution of Atomically Precise Thiolated Bimetallic
 [Au12+nCu32(SR)30+n](4-) (n = 0, 2, 4, 6) Nanoclusters.
;
_journal_issue                   20
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7197
_journal_page_last               7200
_journal_paper_doi               10.1021/ja501811j
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C342 H284 Au12 Cu32 F90 P4 S30'
_chemical_formula_weight         11586.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.450(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   25.9452(10)
_cell_length_b                   23.5533(6)
_cell_length_c                   30.3915(8)
_cell_measurement_temperature    100(2)
_cell_volume                     18488.1(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0630
_diffrn_reflns_av_sigmaI/netI    0.0758
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            64439
_diffrn_reflns_theta_full        63.69
_diffrn_reflns_theta_max         63.69
_diffrn_reflns_theta_min         3.42
_exptl_absorpt_coefficient_mu    13.178
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.05906
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.24 (release 03-12-2012 CrysAlis171 .NET)
(compiled Dec  3 2012,18:21:49)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.081
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             11124
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.03
_platon_squeeze_details
;
SQUEEZE removed two disordered n-hexane molecules per formula unit. 
;
_refine_diff_density_max         4.982
_refine_diff_density_min         -2.078
_refine_diff_density_rms         0.354
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.972
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2110
_refine_ls_number_reflns         30423
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.1232
_refine_ls_R_factor_gt           0.0956
_refine_ls_shift/su_max          0.038
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1924P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2476
_refine_ls_wR_factor_ref         0.2857
_reflns_number_gt                18818
_reflns_number_total             30423
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja501811j_si_002.cif
_cod_data_source_block           Au12Cu32
_cod_depositor_comments
'Adding full bibliography for 4121793--4121797.cif.'
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4121797
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au1 Au 0.96007(2) 0.56317(2) 0.060690(18) 0.06435(18) Uani 1 1 d .
Au2 Au 1.05065(2) 0.59419(2) 0.023739(18) 0.06418(17) Uani 1 1 d .
Au3 Au 1.05026(2) 0.50103(2) 0.08082(2) 0.06402(18) Uani 1 1 d .
Au4 Au 0.95577(2) 0.44577(2) 0.063078(19) 0.06446(17) Uani 1 1 d .
Au5 Au 0.89759(2) 0.50405(2) -0.004561(19) 0.06403(18) Uani 1 1 d .
Au6 Au 0.95605(2) 0.59582(2) -0.027726(18) 0.06432(17) Uani 1 1 d .
Cu14 Cu 1.04250(8) 0.60765(8) 0.11024(7) 0.0682(5) Uani 1 1 d .
Cu3 Cu 0.97771(8) 0.67056(9) 0.03759(6) 0.0683(5) Uani 1 1 d .
Cu8 Cu 1.03253(9) 0.39748(9) 0.11471(7) 0.0701(5) Uani 1 1 d .
Cu15 Cu 0.96820(9) 0.68784(9) 0.12437(7) 0.0745(5) Uani 1 1 d .
Cu5 Cu 1.13370(9) 0.59853(9) -0.02178(7) 0.0708(5) Uani 1 1 d .
Cu2 Cu 0.87330(8) 0.61078(9) 0.01941(7) 0.0688(5) Uani 1 1 d .
Cu7 Cu 0.97750(9) 0.50661(8) 0.13889(7) 0.0683(5) Uani 1 1 d .
Cu6 Cu 1.13770(8) 0.56304(8) 0.07394(7) 0.0670(5) Uani 1 1 d .
Cu1 Cu 0.87393(9) 0.51048(9) 0.07917(7) 0.0719(5) Uani 1 1 d .
Cu13 Cu 1.16097(9) 0.59238(9) -0.10692(8) 0.0768(5) Uani 1 1 d .
Cu9 Cu 1.13330(9) 0.43247(9) 0.07501(7) 0.0707(5) Uani 1 1 d .
Cu4 Cu 1.03412(8) 0.66563(8) -0.04525(7) 0.0680(5) Uani 1 1 d .
Cu16 Cu 1.05716(9) 0.72099(9) 0.08827(7) 0.0752(5) Uani 1 1 d .
Cu11 Cu 1.11745(9) 0.32881(9) 0.11243(7) 0.0743(5) Uani 1 1 d .
Cu10 Cu 1.12433(9) 0.42449(10) 0.16435(7) 0.0756(5) Uani 1 1 d .
Cu12 Cu 1.21853(9) 0.53742(10) -0.03768(8) 0.0784(6) Uani 1 1 d .
S13 S 1.16709(18) 0.49513(15) 0.12823(13) 0.0766(10) Uani 1 1 d .
S4 S 0.90173(16) 0.68324(16) 0.06990(12) 0.0749(9) Uani 1 1 d .
S10 S 1.11309(16) 0.66312(15) -0.07816(13) 0.0765(9) Uani 1 1 d .
S6 S 1.02664(16) 0.75525(16) 0.14954(13) 0.0761(9) Uani 1 1 d .
S9 S 0.96709(16) 0.69802(16) -0.09866(12) 0.0741(9) Uani 1 1 d .
S8 S 1.12098(15) 0.65285(15) 0.10599(12) 0.0711(8) Uani 1 1 d .
S2 S 0.80438(16) 0.55627(15) 0.04412(13) 0.0732(8) Uani 1 1 d .
S7 S 1.03722(16) 0.73403(16) 0.01395(12) 0.0751(9) Uani 1 1 d .
S14 S 1.04284(17) 0.44842(17) 0.17969(13) 0.0784(9) Uani 1 1 d .
S15 S 1.17075(17) 0.34256(17) 0.17420(13) 0.0805(10) Uani 1 1 d .
S1 S 0.89177(16) 0.47432(17) 0.14822(12) 0.0755(9) Uani 1 1 d .
S12 S 1.24663(17) 0.56978(18) -0.10032(15) 0.0827(10) Uani 1 1 d .
S3 S 0.84401(16) 0.65458(16) -0.04882(12) 0.0758(9) Uani 1 1 d .
S5 S 0.98317(16) 0.60376(16) 0.16305(13) 0.0763(9) Uani 1 1 d .
S11 S 1.20474(17) 0.57811(18) 0.02733(13) 0.0804(9) Uani 1 1 d .
P1 P 1.3265(2) 0.4133(2) 0.30549(18) 0.0949(13) Uani 1 1 d .
P2 P 1.2666(3) 0.6224(2) -0.27670(19) 0.1050(15) Uani 1 1 d .
F15 F 1.0243(6) 0.6748(8) 0.3776(4) 0.139(5) Uani 1 1 d .
C69 C 1.1149(6) 0.7790(5) -0.0750(5) 0.069(3) Uani 1 1 d .
H69 H 1.0786 0.7762 -0.0737 0.082 Uiso 1 1 calc R
F39 F 1.4196(6) 0.4411(8) 0.1745(7) 0.152(6) Uani 1 1 d .
F21 F 0.9343(12) 0.9896(8) -0.0333(9) 0.210(12) Uani 1 1 d .
F25 F 1.0432(6) 0.8876(6) -0.2434(5) 0.137(5) Uani 1 1 d .
F3 F 0.7519(7) 0.6004(7) 0.2953(6) 0.150(6) Uani 1 1 d .
F24 F 1.2619(7) 0.6122(6) 0.2946(5) 0.153(7) Uani 1 1 d .
F42 F 1.0206(9) 0.3212(11) 0.3749(5) 0.188(9) Uani 1 1 d .
F37 F 1.4234(7) 0.5304(10) 0.1646(8) 0.186(9) Uani 1 1 d .
F23 F 1.2057(7) 0.6610(8) 0.3217(4) 0.139(5) Uani 1 1 d .
C57 C 0.9948(7) 0.7390(7) -0.1403(6) 0.083(4) Uani 1 1 d .
F2 F 0.7993(9) 0.6678(7) 0.2779(6) 0.175(8) Uani 1 1 d .
C40 C 0.9997(8) 0.9146(7) 0.1034(6) 0.089(5) Uani 1 1 d .
H40 H 1.0112 0.9377 0.0807 0.106 Uiso 1 1 calc R
C123 C 1.3553(9) 0.5247(9) 0.3091(7) 0.111(7) Uani 1 1 d .
H123 H 1.3235 0.5303 0.3217 0.133 Uiso 1 1 calc R
F22 F 1.2683(7) 0.7005(7) 0.2965(5) 0.152(6) Uani 1 1 d .
C36 C 1.0036(6) 0.8260(7) 0.1420(5) 0.074(4) Uani 1 1 d .
F43 F 1.0855(8) 0.2252(7) 0.3525(6) 0.154(6) Uani 1 1 d .
C23 C 0.8896(9) 0.8004(6) 0.0723(6) 0.102(6) Uani 1 1 d .
H23 H 0.9237 0.8021 0.0866 0.123 Uiso 1 1 calc R
C43 C 1.0016(7) 0.7974(8) -0.0038(5) 0.080(4) Uani 1 1 d .
F6 F 0.6132(6) 0.6566(7) 0.1538(5) 0.134(4) Uani 1 1 d .
F33 F 1.3279(9) 0.8164(7) 0.0945(5) 0.171(8) Uani 1 1 d .
C8 C 0.7623(7) 0.5931(8) 0.0780(6) 0.085(4) Uani 1 1 d .
C64 C 1.1442(7) 0.7288(8) -0.0763(5) 0.084(4) Uani 1 1 d .
C112 C 1.3387(8) 0.3586(8) 0.2681(7) 0.097(5) Uani 1 1 d .
F36 F 1.3652(7) 0.8200(7) -0.0792(7) 0.166(6) Uani 1 1 d .
F29 F 1.1976(9) 0.9295(7) -0.0487(7) 0.171(8) Uani 1 1 d .
C133 C 1.1602(7) 0.7157(10) -0.1885(7) 0.102(6) Uani 1 1 d .
H133 H 1.1389 0.7344 -0.1693 0.123 Uiso 1 1 calc R
C59 C 1.0196(9) 0.8288(9) -0.1655(7) 0.104(6) Uani 1 1 d .
H59 H 1.0214 0.8689 -0.1624 0.125 Uiso 1 1 calc R
C88 C 1.3440(11) 0.4870(12) 0.1479(10) 0.129(9) Uani 1 1 d .
C118 C 1.3692(9) 0.4720(11) 0.2972(7) 0.106(6) Uani 1 1 d .
C61 C 1.0362(7) 0.7479(9) -0.2052(7) 0.097(5) Uani 1 1 d .
H61 H 1.0490 0.7308 -0.2303 0.116 Uiso 1 1 calc R
F32 F 1.3840(10) 0.7832(10) 0.0577(8) 0.197(9) Uani 1 1 d .
C45 C 0.9970(9) 0.8949(7) -0.0206(7) 0.094(5) Uani 1 1 d .
H45 H 1.0134 0.9310 -0.0200 0.113 Uiso 1 1 calc R
F28 F 1.1970(8) 0.9246(6) -0.1144(7) 0.156(6) Uani 1 1 d .
F27 F 1.1134(8) 0.8529(9) -0.2185(8) 0.185(9) Uani 1 1 d .
C58 C 0.9969(7) 0.7984(7) -0.1350(6) 0.084(4) Uani 1 1 d .
H58 H 0.9828 0.8164 -0.1108 0.101 Uiso 1 1 calc R
F5 F 0.6562(12) 0.7300(9) 0.1483(13) 0.258(18) Uani 1 1 d .
C83 C 1.2885(8) 0.6680(8) -0.1288(6) 0.088(5) Uani 1 1 d .
H83 H 1.2664 0.6619 -0.1551 0.105 Uiso 1 1 calc R
C50 C 1.1538(8) 0.6573(6) 0.1609(6) 0.091(5) Uani 1 1 d .
C101 C 1.1004(8) 0.2213(7) 0.2396(7) 0.095(5) Uani 1 1 d .
H101 H 1.0753 0.1923 0.2331 0.114 Uiso 1 1 calc R
F30 F 1.2625(7) 0.8969(6) -0.0754(7) 0.165(7) Uani 1 1 d .
C129 C 1.2475(8) 0.4711(9) 0.2597(7) 0.108(6) Uani 1 1 d .
H129 H 1.2732 0.4794 0.2404 0.129 Uiso 1 1 calc R
C94 C 1.0482(10) 0.3640(11) 0.2950(7) 0.119(7) Uani 1 1 d .
H94 H 1.0744 0.3464 0.3144 0.142 Uiso 1 1 calc R
C92 C 1.0247(8) 0.4132(7) 0.2290(6) 0.086(4) Uani 1 1 d .
F1 F 0.8260(8) 0.6117(9) 0.3271(5) 0.165(7) Uani 1 1 d .
C41 C 1.0178(7) 0.8583(7) 0.1080(5) 0.077(4) Uani 1 1 d .
H41 H 1.0397 0.8430 0.0876 0.093 Uiso 1 1 calc R
F4 F 0.6778(10) 0.6777(18) 0.1989(9) 0.28(2) Uani 1 1 d .
F31 F 1.3217(10) 0.8299(8) 0.0253(6) 0.194(10) Uani 1 1 d .
C114 C 1.3953(8) 0.2837(9) 0.2451(7) 0.101(6) Uani 1 1 d .
H114 H 1.4259 0.2616 0.2505 0.121 Uiso 1 1 calc R
C85 C 1.2361(7) 0.4903(8) 0.1368(6) 0.084(4) Uani 1 1 d .
F44 F 1.0664(13) 0.1588(10) 0.3066(5) 0.225(13) Uani 1 1 d U
C46 C 0.9467(9) 0.8908(9) -0.0343(6) 0.097(5) Uani 1 1 d .
F10 F 0.7859(12) 0.9329(9) 0.0772(10) 0.221(12) Uani 1 1 d U
C109 C 1.3425(8) 0.3487(12) 0.4474(8) 0.109(6) Uani 1 1 d .
H109 H 1.3435 0.3359 0.4771 0.130 Uiso 1 1 calc R
C124 C 1.2611(11) 0.4383(9) 0.2964(8) 0.115(8) Uani 1 1 d .
F14 F 1.0542(12) 0.5919(9) 0.3806(5) 0.195(10) Uani 1 1 d .
C120 C 1.4466(12) 0.5087(10) 0.2748(11) 0.129(9) Uani 1 1 d .
H120 H 1.4790 0.5025 0.2635 0.154 Uiso 1 1 calc R
C111 C 1.3432(10) 0.4234(8) 0.3968(7) 0.106(7) Uani 1 1 d .
H111 H 1.3455 0.4630 0.3914 0.128 Uiso 1 1 calc R
C22 C 0.8692(8) 0.7502(8) 0.0604(5) 0.089(5) Uani 1 1 d .
C122 C 1.3869(11) 0.5699(9) 0.3029(8) 0.109(6) Uani 1 1 d .
H122 H 1.3765 0.6068 0.3110 0.131 Uiso 1 1 calc R
C134 C 1.1538(7) 0.6587(9) -0.1999(6) 0.092(5) Uani 1 1 d .
H134 H 1.1253 0.6391 -0.1894 0.110 Uiso 1 1 calc R
C1 C 0.8608(8) 0.5136(7) 0.1892(6) 0.084(4) Uani 1 1 d .
C24 C 0.8623(11) 0.8491(8) 0.0643(8) 0.114(7) Uani 1 1 d .
H24 H 0.8793 0.8842 0.0711 0.137 Uiso 1 1 calc R
C131 C 1.2306(7) 0.7150(10) -0.2341(7) 0.102(5) Uani 1 1 d .
H131 H 1.2564 0.7357 -0.2476 0.122 Uiso 1 1 calc R
F26 F 1.0695(10) 0.8145(10) -0.2703(6) 0.194(9) Uani 1 1 d .
C56 C 1.2373(10) 0.6595(9) 0.2890(9) 0.113(7) Uani 1 1 d .
C100 C 1.1170(7) 0.2555(7) 0.2067(6) 0.087(5) Uani 1 1 d .
H100 H 1.1041 0.2483 0.1770 0.104 Uiso 1 1 calc R
C78 C 1.2863(6) 0.6306(7) -0.0949(6) 0.080(4) Uani 1 1 d .
F18 F 0.9313(10) 1.0179(8) 0.1608(6) 0.196(10) Uani 1 1 d D
C37 C 0.9700(7) 0.8487(8) 0.1690(6) 0.089(5) Uani 1 1 d .
H37 H 0.9589 0.8250 0.1916 0.106 Uiso 1 1 calc R
C128 C 1.1973(9) 0.4930(10) 0.2494(10) 0.114(8) Uani 1 1 d .
H128 H 1.1872 0.5134 0.2230 0.137 Uiso 1 1 calc R
C62 C 1.0151(8) 0.7139(9) -0.1759(6) 0.098(5) Uani 1 1 d .
H62 H 1.0143 0.6739 -0.1797 0.117 Uiso 1 1 calc R
F38 F 1.4176(7) 0.4759(12) 0.1104(8) 0.183(8) Uani 1 1 d .
C119 C 1.4154(11) 0.4626(11) 0.2800(9) 0.125(8) Uani 1 1 d .
H119 H 1.4255 0.4255 0.2720 0.150 Uiso 1 1 calc R
C106 C 1.3373(9) 0.3868(9) 0.3619(7) 0.107(7) Uani 1 1 d .
C29 C 1.0061(5) 0.6155(5) 0.2213(3) 0.087(4) Uani 1 1 d G
C30 C 1.0262(6) 0.5703(4) 0.2468(4) 0.106(6) Uani 1 1 d G
H30 H 1.0311 0.5345 0.2334 0.127 Uiso 1 1 calc R
C31 C 1.0390(6) 0.5774(5) 0.2919(3) 0.094(5) Uani 1 1 d G
H31 H 1.0527 0.5464 0.3093 0.112 Uiso 1 1 calc R
C32 C 1.0319(7) 0.6298(5) 0.3115(3) 0.119(8) Uani 1 1 d G
C33 C 1.0118(7) 0.6750(4) 0.2859(4) 0.129(8) Uani 1 1 d G
H33 H 1.0069 0.7108 0.2993 0.155 Uiso 1 1 calc R
C34 C 0.9990(6) 0.6679(4) 0.2408(4) 0.097(5) Uani 1 1 d G
H34 H 0.9853 0.6988 0.2234 0.116 Uiso 1 1 calc R
C47 C 0.9216(8) 0.8419(9) -0.0328(6) 0.097(5) Uani 1 1 d .
H47 H 0.8857 0.8404 -0.0422 0.116 Uiso 1 1 calc R
C53 C 1.2063(9) 0.6605(8) 0.2449(6) 0.097(6) Uani 1 1 d .
F19 F 0.8701(9) 0.9396(9) -0.0531(16) 0.31(2) Uani 1 1 d .
C68 C 1.1376(8) 0.8331(7) -0.0757(6) 0.088(5) Uani 1 1 d .
H68 H 1.1162 0.8658 -0.0752 0.106 Uiso 1 1 calc R
C87 C 1.3161(12) 0.4394(12) 0.1442(10) 0.133(9) Uani 1 1 d .
H87 H 1.3335 0.4038 0.1464 0.160 Uiso 1 1 calc R
F35 F 1.4285(9) 0.7698(10) -0.0611(10) 0.235(14) Uani 1 1 d .
C90 C 1.2631(9) 0.5390(9) 0.1432(9) 0.117(8) Uani 1 1 d .
H90 H 1.2459 0.5745 0.1444 0.141 Uiso 1 1 calc R
C113 C 1.3820(8) 0.3260(10) 0.2739(6) 0.104(6) Uani 1 1 d .
H113 H 1.4050 0.3326 0.2996 0.125 Uiso 1 1 calc R
C127 C 1.1646(10) 0.4820(12) 0.2809(11) 0.130(10) Uani 1 1 d .
H127 H 1.1311 0.4985 0.2766 0.156 Uiso 1 1 calc R
C76 C 1.2221(8) 0.6948(9) 0.0260(6) 0.100(5) Uani 1 1 d .
H76 H 1.1871 0.6992 0.0142 0.120 Uiso 1 1 calc R
C108 C 1.3380(9) 0.3108(10) 0.4131(9) 0.115(7) Uani 1 1 d .
H108 H 1.3381 0.2712 0.4193 0.138 Uiso 1 1 calc R
F13 F 1.0988(9) 0.6532(12) 0.3645(6) 0.188(9) Uani 1 1 d .
F41 F 0.9481(14) 0.3037(15) 0.3430(7) 0.270(19) Uani 1 1 d .
C86 C 1.2612(10) 0.4402(11) 0.1371(10) 0.129(8) Uani 1 1 d .
H86 H 1.2424 0.4057 0.1326 0.155 Uiso 1 1 calc R
C121 C 1.4334(12) 0.5632(9) 0.2851(8) 0.118(8) Uani 1 1 d .
H121 H 1.4552 0.5946 0.2802 0.142 Uiso 1 1 calc R
F20 F 0.9259(12) 0.9575(8) -0.0886(7) 0.210(12) Uani 1 1 d .
C82 C 1.3209(8) 0.7142(8) -0.1269(8) 0.101(6) Uani 1 1 d .
H82 H 1.3202 0.7398 -0.1511 0.121 Uiso 1 1 calc R
C116 C 1.3134(9) 0.3073(8) 0.2012(7) 0.105(6) Uani 1 1 d .
H116 H 1.2888 0.3003 0.1766 0.126 Uiso 1 1 calc R
C10 C 0.7504(10) 0.6528(9) 0.1426(8) 0.112(7) Uani 1 1 d .
H10 H 0.7647 0.6725 0.1682 0.134 Uiso 1 1 calc R
C107 C 1.3331(7) 0.3289(8) 0.3698(6) 0.100(6) Uani 1 1 d .
H107 H 1.3271 0.3027 0.3461 0.120 Uiso 1 1 calc R
C99 C 1.1521(8) 0.3005(8) 0.2153(6) 0.089(5) Uani 1 1 d .
C42 C 0.9478(9) 1.0002(9) 0.1229(7) 0.188(15) Uani 1 1 d DU
C93 C 1.0617(9) 0.3870(10) 0.2576(7) 0.103(6) Uani 1 1 d .
H93 H 1.0966 0.3853 0.2507 0.124 Uiso 1 1 calc R
C12 C 0.6768(10) 0.6149(11) 0.0944(9) 0.119(7) Uani 1 1 d .
H12 H 0.6405 0.6116 0.0867 0.142 Uiso 1 1 calc R
C48 C 0.9472(7) 0.7929(8) -0.0178(5) 0.086(4) Uani 1 1 d .
H48 H 0.9295 0.7577 -0.0168 0.103 Uiso 1 1 calc R
C130 C 1.2248(9) 0.6589(8) -0.2414(7) 0.100(5) Uani 1 1 d .
F12 F 0.7323(11) 0.8940(10) 0.0322(11) 0.226(12) Uani 1 1 d .
C125 C 1.2257(11) 0.4307(11) 0.3255(9) 0.121(8) Uani 1 1 d .
H125 H 1.2356 0.4114 0.3524 0.145 Uiso 1 1 calc R
F17 F 0.9887(12) 1.0312(9) 0.1136(10) 0.30(2) Uani 1 1 d DU
C60 C 1.0401(9) 0.8043(8) -0.2008(7) 0.099(5) Uani 1 1 d .
C104 C 1.1720(8) 0.3077(7) 0.2610(5) 0.086(5) Uani 1 1 d .
H104 H 1.1979 0.3355 0.2683 0.103 Uiso 1 1 calc R
C80 C 1.3535(11) 0.6863(11) -0.0549(10) 0.128(8) Uani 1 1 d .
H80 H 1.3757 0.6930 -0.0287 0.154 Uiso 1 1 calc R
C115 C 1.3590(10) 0.2757(8) 0.2062(7) 0.110(7) Uani 1 1 d .
H115 H 1.3662 0.2489 0.1843 0.131 Uiso 1 1 calc R
C89 C 1.3162(12) 0.5359(13) 0.1478(11) 0.150(11) Uani 1 1 d .
H89 H 1.3349 0.5705 0.1513 0.180 Uiso 1 1 calc R
C15 C 0.7748(4) 0.6685(6) -0.0555(3) 0.102(6) Uani 1 1 d G
C16 C 0.7402(5) 0.6281(6) -0.0427(5) 0.159(8) Uani 1 1 d GU
H16 H 0.7527 0.5934 -0.0298 0.191 Uiso 1 1 calc R
C17 C 0.6872(5) 0.6384(9) -0.0488(6) 0.163(8) Uani 1 1 d GU
H17 H 0.6635 0.6107 -0.0401 0.195 Uiso 1 1 calc R
C18 C 0.6689(4) 0.6891(9) -0.0677(4) 0.162(8) Uani 1 1 d GU
C19 C 0.7035(6) 0.7296(6) -0.0805(4) 0.142(9) Uani 1 1 d GU
H19 H 0.6910 0.7643 -0.0933 0.170 Uiso 1 1 calc R
C20 C 0.7565(5) 0.7193(6) -0.0743(5) 0.112(7) Uani 1 1 d G
H20 H 0.7801 0.7470 -0.0831 0.134 Uiso 1 1 calc R
F11 F 0.7994(18) 0.9370(14) 0.0149(13) 0.33(2) Uani 1 1 d .
C102 C 1.1230(12) 0.2315(8) 0.2840(6) 0.118(8) Uani 1 1 d U
C117 C 1.3040(9) 0.3462(9) 0.2296(8) 0.111(7) Uani 1 1 d .
H117 H 1.2729 0.3674 0.2247 0.134 Uiso 1 1 calc R
C39 C 0.9654(9) 0.9374(7) 0.1312(7) 0.102(6) Uani 1 1 d D
C13 C 0.7100(9) 0.5864(10) 0.0702(7) 0.104(6) Uani 1 1 d .
H13 H 0.6965 0.5614 0.0474 0.125 Uiso 1 1 calc R
C138 C 1.3311(10) 0.5115(11) -0.1845(10) 0.120(7) Uani 1 1 d .
H138 H 1.3294 0.5037 -0.1540 0.143 Uiso 1 1 calc R
F16 F 0.9106(13) 0.9986(8) 0.0906(9) 0.37(3) Uani 1 1 d D
C97 C 0.9741(8) 0.4124(8) 0.2398(6) 0.094(5) Uani 1 1 d .
H97 H 0.9476 0.4287 0.2200 0.112 Uiso 1 1 calc R
C137 C 1.3001(10) 0.5542(9) -0.2038(8) 0.113(7) Uani 1 1 d .
H137 H 1.2775 0.5748 -0.1869 0.135 Uiso 1 1 calc R
C11 C 0.6946(9) 0.6478(9) 0.1291(7) 0.103(6) Uani 1 1 d .
C135 C 1.1850(8) 0.6291(8) -0.2247(7) 0.098(5) Uani 1 1 d .
H135 H 1.1799 0.5897 -0.2304 0.117 Uiso 1 1 calc R
C75 C 1.2540(12) 0.7420(10) 0.0332(10) 0.128(9) Uani 1 1 d .
H75 H 1.2401 0.7785 0.0259 0.153 Uiso 1 1 calc R
C51 C 1.1314(7) 0.6377(10) 0.1969(6) 0.098(6) Uani 1 1 d .
H51 H 1.0972 0.6231 0.1932 0.117 Uiso 1 1 calc R
C147 C 1.1907(12) 0.6338(14) -0.3446(9) 0.139(9) Uani 1 1 d .
H147 H 1.1888 0.6716 -0.3341 0.167 Uiso 1 1 calc R
C25 C 0.8133(11) 0.8501(10) 0.0477(9) 0.116(7) Uani 1 1 d U
C91 C 1.4006(13) 0.483(2) 0.1525(13) 0.158(13) Uani 1 1 d .
C142 C 1.2260(11) 0.5958(10) -0.3222(9) 0.119(7) Uani 1 1 d .
C4 C 0.8205(11) 0.5766(8) 0.2549(8) 0.110(6) Uani 1 1 d U
C44 C 1.0257(8) 0.8465(8) -0.0072(6) 0.090(5) Uani 1 1 d .
H44 H 1.0622 0.8488 -0.0007 0.109 Uiso 1 1 calc R
C66 C 1.2189(10) 0.7911(9) -0.0762(9) 0.118(7) Uani 1 1 d .
H66 H 1.2555 0.7941 -0.0756 0.141 Uiso 1 1 calc R
C3 C 0.8728(11) 0.5673(9) 0.2559(7) 0.110(6) Uani 1 1 d U
H3 H 0.8948 0.5841 0.2790 0.132 Uiso 1 1 calc R
C105 C 1.1025(18) 0.1949(13) 0.3195(12) 0.156(12) Uani 1 1 d U
C136 C 1.3026(8) 0.5667(9) -0.2493(7) 0.100(5) Uani 1 1 d .
C141 C 1.3374(10) 0.5360(10) -0.2723(9) 0.118(7) Uani 1 1 d .
H141 H 1.3404 0.5443 -0.3025 0.142 Uiso 1 1 calc R
C132 C 1.1987(9) 0.7424(8) -0.2068(6) 0.098(6) Uani 1 1 d .
H132 H 1.2044 0.7816 -0.2007 0.118 Uiso 1 1 calc R
C72 C 1.2928(8) 0.6363(9) 0.0540(8) 0.106(6) Uani 1 1 d .
H72 H 1.3073 0.6003 0.0620 0.127 Uiso 1 1 calc R
C110 C 1.3457(10) 0.4045(10) 0.4384(7) 0.108(6) Uani 1 1 d .
H110 H 1.3498 0.4310 0.4620 0.129 Uiso 1 1 calc R
F45 F 1.1387(11) 0.1655(9) 0.3401(6) 0.200(11) Uani 1 1 d .
C67 C 1.1893(10) 0.8397(9) -0.0769(7) 0.107(6) Uani 1 1 d .
C151 C 1.3745(12) 0.7627(12) -0.3001(9) 0.127(8) Uani 1 1 d U
H151 H 1.3960 0.7947 -0.3034 0.153 Uiso 1 1 calc R
C74 C 1.3038(11) 0.7382(10) 0.0501(7) 0.109(7) Uani 1 1 d .
C9 C 0.7794(8) 0.6250(9) 0.1132(7) 0.102(6) Uani 1 1 d .
H9 H 0.8159 0.6290 0.1185 0.122 Uiso 1 1 calc R
F40 F 0.9648(12) 0.3823(14) 0.3740(6) 0.223(12) Uani 1 1 d U
C143 C 1.2235(12) 0.5372(11) -0.3387(9) 0.126(8) Uani 1 1 d .
H143 H 1.2469 0.5103 -0.3246 0.151 Uiso 1 1 calc R
C38 C 0.9514(10) 0.9018(9) 0.1662(7) 0.109(6) Uani 1 1 d .
H38 H 0.9293 0.9155 0.1871 0.131 Uiso 1 1 calc R
C71 C 1.2416(7) 0.6423(8) 0.0361(6) 0.086(4) Uani 1 1 d .
C81 C 1.3546(9) 0.7233(10) -0.0894(10) 0.119(7) Uani 1 1 d .
C96 C 0.9616(10) 0.3885(11) 0.2781(7) 0.112(7) Uani 1 1 d .
H96 H 0.9266 0.3885 0.2849 0.134 Uiso 1 1 calc R
C103 C 1.1549(10) 0.2763(10) 0.2934(7) 0.111(6) Uani 1 1 d U
H103 H 1.1652 0.2855 0.3234 0.133 Uiso 1 1 calc R
F34 F 1.4066(8) 0.7855(10) -0.1268(8) 0.191(9) Uani 1 1 d .
C6 C 0.8095(10) 0.5249(10) 0.1879(6) 0.102(6) Uani 1 1 d .
H6 H 0.7872 0.5116 0.1635 0.122 Uiso 1 1 calc R
C52 C 1.1572(9) 0.6387(8) 0.2379(7) 0.104(6) Uani 1 1 d .
H52 H 1.1409 0.6241 0.2622 0.124 Uiso 1 1 calc R
C5 C 0.7886(9) 0.5550(9) 0.2207(8) 0.107(6) Uani 1 1 d .
H5 H 0.7522 0.5607 0.2195 0.129 Uiso 1 1 calc R
C77 C 1.3321(14) 0.7914(12) 0.0563(9) 0.137(10) Uani 1 1 d .
C79 C 1.3207(9) 0.6386(9) -0.0567(8) 0.107(6) Uani 1 1 d .
H79 H 1.3218 0.6125 -0.0328 0.128 Uiso 1 1 calc R
C148 C 1.3132(11) 0.6736(10) -0.2917(7) 0.112(7) Uani 1 1 d .
C27 C 0.8176(7) 0.7460(8) 0.0402(7) 0.094(5) Uani 1 1 d .
H27 H 0.8019 0.7109 0.0311 0.113 Uiso 1 1 calc R
C95 C 0.9987(10) 0.3647(12) 0.3068(9) 0.124(8) Uani 1 1 d U
C49 C 0.9171(10) 0.9422(10) -0.0480(10) 0.119(8) Uani 1 1 d .
C54 C 1.2280(10) 0.6818(11) 0.2083(8) 0.116(7) Uani 1 1 d .
H54 H 1.2614 0.6988 0.2123 0.139 Uiso 1 1 calc R
C28 C 0.7835(19) 0.9030(19) 0.0410(15) 0.186(17) Uani 1 1 d U
C140 C 1.3682(11) 0.4928(10) -0.2512(8) 0.116(7) Uani 1 1 d .
H140 H 1.3919 0.4721 -0.2669 0.139 Uiso 1 1 calc R
C63 C 1.0676(12) 0.8405(10) -0.2324(10) 0.121(8) Uani 1 1 d .
C26 C 0.7914(9) 0.7989(11) 0.0349(7) 0.110(7) Uani 1 1 d .
H26 H 0.7566 0.7989 0.0217 0.132 Uiso 1 1 calc R
C65 C 1.1959(9) 0.7374(9) -0.0763(7) 0.111(6) Uani 1 1 d .
H65 H 1.2177 0.7050 -0.0764 0.133 Uiso 1 1 calc R
C55 C 1.2023(8) 0.6792(10) 0.1662(7) 0.106(6) Uani 1 1 d .
H55 H 1.2185 0.6926 0.1414 0.128 Uiso 1 1 calc R
C73 C 1.3222(11) 0.6874(11) 0.0597(8) 0.128(9) Uani 1 1 d .
H73 H 1.3574 0.6844 0.0713 0.154 Uiso 1 1 calc R
C2 C 0.8946(8) 0.5357(10) 0.2256(6) 0.098(5) Uani 1 1 d .
H2 H 0.9308 0.5282 0.2282 0.117 Uiso 1 1 calc R
C152 C 1.3804(11) 0.7393(12) -0.2628(9) 0.126(8) Uani 1 1 d .
H152 H 1.4037 0.7535 -0.2393 0.151 Uiso 1 1 calc R
C84 C 1.3902(12) 0.7715(13) -0.0862(12) 0.140(10) Uani 1 1 d .
C126 C 1.1749(11) 0.4502(12) 0.3172(11) 0.135(9) Uani 1 1 d .
H126 H 1.1491 0.4414 0.3363 0.161 Uiso 1 1 calc R
C14 C 0.6575(14) 0.6794(14) 0.1555(15) 0.158(14) Uani 1 1 d .
C149 C 1.3095(12) 0.7041(10) -0.3305(7) 0.117(7) Uani 1 1 d .
H149 H 1.2842 0.6941 -0.3539 0.140 Uiso 1 1 calc R
C153 C 1.3495(8) 0.6899(10) -0.2583(9) 0.116(7) Uani 1 1 d .
H153 H 1.3541 0.6681 -0.2320 0.139 Uiso 1 1 calc R
C7 C 0.7976(11) 0.6135(11) 0.2879(8) 0.111(6) Uani 1 1 d .
C150 C 1.3428(14) 0.7494(14) -0.3356(7) 0.143(10) Uani 1 1 d U
H150 H 1.3429 0.7696 -0.3627 0.172 Uiso 1 1 calc R
C139 C 1.3631(11) 0.4809(12) -0.2063(9) 0.124(8) Uani 1 1 d .
H139 H 1.3826 0.4511 -0.1917 0.149 Uiso 1 1 calc R
C144 C 1.1907(16) 0.5193(19) -0.3719(11) 0.165(13) Uani 1 1 d .
H144 H 1.1893 0.4806 -0.3805 0.198 Uiso 1 1 calc R
F7 F 0.5996(9) 0.7494(16) -0.0667(10) 0.232(15) Uani 1 1 d U
C70 C 1.2124(10) 0.8947(10) -0.0766(10) 0.120(8) Uani 1 1 d .
F8 F 0.5867(8) 0.6658(14) -0.0483(7) 0.224(13) Uani 1 1 d .
C98 C 0.9817(14) 0.335(2) 0.3474(13) 0.167(12) Uani 1 1 d U
F9 F 0.5943(7) 0.682(2) -0.1141(7) 0.29(2) Uani 1 1 d .
C21 C 0.6122(13) 0.699(2) -0.0733(9) 0.177(14) Uani 1 1 d U
C145 C 1.1593(15) 0.5585(17) -0.3931(10) 0.160(13) Uani 1 1 d .
H145 H 1.1359 0.5466 -0.4172 0.192 Uiso 1 1 calc R
C146 C 1.1597(13) 0.6182(17) -0.3804(11) 0.164(13) Uani 1 1 d .
H146 H 1.1387 0.6452 -0.3969 0.197 Uiso 1 1 calc R
C35 C 1.046(2) 0.6346(18) 0.3583(9) 0.174(17) 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'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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'
Cu Cu -1.9646 0.5888 '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'
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
Cu1 Au1 Cu3 131.60(7) . .
Cu1 Au1 Cu14 134.24(7) . .
Cu3 Au1 Cu14 68.55(6) . .
Cu1 Au1 Cu2 67.30(7) . .
Cu3 Au1 Cu2 69.09(6) . .
Cu14 Au1 Cu2 132.40(6) . .
Cu1 Au1 Cu7 70.20(7) . .
Cu3 Au1 Cu7 132.27(6) . .
Cu14 Au1 Cu7 69.33(6) . .
Cu2 Au1 Cu7 131.85(7) . .
Cu1 Au1 Au4 59.48(5) . .
Cu3 Au1 Au4 163.58(5) . .
Cu14 Au1 Au4 113.80(5) . .
Cu2 Au1 Au4 113.02(5) . .
Cu7 Au1 Au4 59.50(4) . .
Cu1 Au1 Au3 114.47(5) . .
Cu3 Au1 Au3 113.21(5) . .
Cu14 Au1 Au3 58.47(5) . .
Cu2 Au1 Au3 164.55(5) . .
Cu7 Au1 Au3 58.92(5) . .
Au4 Au1 Au3 60.22(2) . .
Cu1 Au1 Au6 112.13(5) . .
Cu3 Au1 Au6 58.53(5) . .
Cu14 Au1 Au6 112.63(5) . .
Cu2 Au1 Au6 59.12(5) . .
Cu7 Au1 Au6 164.51(5) . .
Au4 Au1 Au6 107.63(2) . .
Au3 Au1 Au6 108.13(3) . .
Cu1 Au1 Au2 163.91(5) . .
Cu3 Au1 Au2 58.43(5) . .
Cu14 Au1 Au2 58.17(5) . .
Cu2 Au1 Au2 113.47(5) . .
Cu7 Au1 Au2 113.69(5) . .
Au4 Au1 Au2 108.00(3) . .
Au3 Au1 Au2 60.24(2) . .
Au6 Au1 Au2 59.78(2) . .
Cu1 Au1 Au5 58.54(5) . .
Cu3 Au1 Au5 112.64(5) . .
Cu14 Au1 Au5 163.17(5) . .
Cu2 Au1 Au5 58.71(5) . .
Cu7 Au1 Au5 114.23(5) . .
Au4 Au1 Au5 60.090(19) . .
Au3 Au1 Au5 108.17(3) . .
Au6 Au1 Au5 59.33(2) . .
Au2 Au1 Au5 107.26(3) . .
Cu5 Au2 Cu3 132.37(7) . .
Cu5 Au2 Cu14 130.33(7) . .
Cu3 Au2 Cu14 69.05(6) . .
Cu5 Au2 Cu4 69.47(7) . .
Cu3 Au2 Cu4 68.84(7) . .
Cu14 Au2 Cu4 132.04(7) . .
Cu5 Au2 Cu6 68.34(7) . .
Cu3 Au2 Cu6 131.27(6) . .
Cu14 Au2 Cu6 67.52(7) . .
Cu4 Au2 Cu6 132.23(7) . .
Cu5 Au2 Au5 59.40(5) . 3_765
Cu3 Au2 Au5 164.06(5) . 3_765
Cu14 Au2 Au5 113.05(5) . 3_765
Cu4 Au2 Au5 113.81(5) . 3_765
Cu6 Au2 Au5 59.71(5) . 3_765
Cu5 Au2 Au6 114.85(5) . .
Cu3 Au2 Au6 58.63(5) . .
Cu14 Au2 Au6 113.75(5) . .
Cu4 Au2 Au6 59.11(5) . .
Cu6 Au2 Au6 164.96(5) . .
Au5 Au2 Au6 108.25(2) 3_765 .
Cu5 Au2 Au4 60.13(5) . 3_765
Cu3 Au2 Au4 113.34(5) . 3_765
Cu14 Au2 Au4 164.86(5) . 3_765
Cu4 Au2 Au4 58.91(5) . 3_765
Cu6 Au2 Au4 114.42(5) . 3_765
Au5 Au2 Au4 60.34(2) 3_765 3_765
Au6 Au2 Au4 60.21(2) . 3_765
Cu5 Au2 Au1 165.51(5) . .
Cu3 Au2 Au1 58.53(5) . .
Cu14 Au2 Au1 59.24(5) . .
Cu4 Au2 Au1 113.48(5) . .
Cu6 Au2 Au1 113.04(5) . .
Au5 Au2 Au1 108.03(3) 3_765 .
Au6 Au2 Au1 59.95(2) . .
Au4 Au2 Au1 108.34(3) 3_765 .
Cu5 Au2 Au3 113.69(5) . .
Cu3 Au2 Au3 112.70(5) . .
Cu14 Au2 Au3 58.57(5) . .
Cu4 Au2 Au3 164.56(5) . .
Cu6 Au2 Au3 59.29(5) . .
Au5 Au2 Au3 60.32(2) 3_765 .
Au6 Au2 Au3 107.72(3) . .
Au4 Au2 Au3 108.56(2) 3_765 .
Au1 Au2 Au3 59.57(2) . .
Cu14 Au3 Cu8 134.21(7) . .
Cu14 Au3 Cu7 69.99(6) . .
Cu8 Au3 Cu7 68.96(7) . .
Cu14 Au3 Cu9 131.70(7) . .
Cu8 Au3 Cu9 69.67(7) . .
Cu7 Au3 Cu9 132.76(7) . .
Cu14 Au3 Cu6 67.20(7) . .
Cu8 Au3 Cu6 133.33(7) . .
Cu7 Au3 Cu6 131.43(7) . .
Cu9 Au3 Cu6 68.99(7) . .
Cu14 Au3 Au1 59.43(5) . .
Cu8 Au3 Au1 112.88(5) . .
Cu7 Au3 Au1 59.55(5) . .
Cu9 Au3 Au1 163.16(5) . .
Cu6 Au3 Au1 113.01(5) . .
Cu14 Au3 Au4 114.22(5) . .
Cu8 Au3 Au4 58.22(5) . .
Cu7 Au3 Au4 59.53(5) . .
Cu9 Au3 Au4 113.56(5) . .
Cu6 Au3 Au4 163.97(5) . .
Au1 Au3 Au4 59.71(2) . .
Cu14 Au3 Au6 163.15(5) . 3_765
Cu8 Au3 Au6 58.67(5) . 3_765
Cu7 Au3 Au6 114.23(5) . 3_765
Cu9 Au3 Au6 58.59(5) . 3_765
Cu6 Au3 Au6 113.44(5) . 3_765
Au1 Au3 Au6 107.54(3) . 3_765
Au4 Au3 Au6 60.22(2) . 3_765
Cu14 Au3 Au5 112.00(5) . 3_765
Cu8 Au3 Au5 112.99(5) . 3_765
Cu7 Au3 Au5 164.82(5) . 3_765
Cu9 Au3 Au5 58.02(5) . 3_765
Cu6 Au3 Au5 59.13(5) . 3_765
Au1 Au3 Au5 107.69(3) . 3_765
Au4 Au3 Au5 107.83(3) . 3_765
Au6 Au3 Au5 59.46(2) 3_765 3_765
Cu14 Au3 Au2 58.45(5) . .
Cu8 Au3 Au2 162.63(5) . .
Cu7 Au3 Au2 114.20(5) . .
Cu9 Au3 Au2 112.15(5) . .
Cu6 Au3 Au2 58.64(4) . .
Au1 Au3 Au2 60.19(2) . .
Au4 Au3 Au2 107.56(3) . .
Au6 Au3 Au2 106.62(3) 3_765 .
Au5 Au3 Au2 59.26(2) 3_765 .
Cu8 Au4 Cu1 133.68(7) . .
Cu8 Au4 Cu4 67.81(6) . 3_765
Cu1 Au4 Cu4 132.83(7) . 3_765
Cu8 Au4 Cu7 69.16(7) . .
Cu1 Au4 Cu7 69.69(7) . .
Cu4 Au4 Cu7 131.67(6) 3_765 .
Cu8 Au4 Cu5 131.27(7) . 3_765
Cu1 Au4 Cu5 69.55(7) . 3_765
Cu4 Au4 Cu5 68.39(6) 3_765 3_765
Cu7 Au4 Cu5 133.31(7) . 3_765
Cu8 Au4 Au1 114.28(5) . .
Cu1 Au4 Au1 58.30(5) . .
Cu4 Au4 Au1 164.04(5) 3_765 .
Cu7 Au4 Au1 59.45(5) . .
Cu5 Au4 Au1 113.77(5) 3_765 .
Cu8 Au4 Au3 59.41(5) . .
Cu1 Au4 Au3 113.26(5) . .
Cu4 Au4 Au3 113.15(5) 3_765 .
Cu7 Au4 Au3 58.85(5) . .
Cu5 Au4 Au3 163.71(5) 3_765 .
Au1 Au4 Au3 60.07(2) . .
Cu8 Au4 Au2 112.71(5) . 3_765
Cu1 Au4 Au2 112.63(5) . 3_765
Cu4 Au4 Au2 58.69(5) 3_765 3_765
Cu7 Au4 Au2 164.80(5) . 3_765
Cu5 Au4 Au2 57.75(5) 3_765 3_765
Au1 Au4 Au2 108.11(2) . 3_765
Au3 Au4 Au2 108.25(3) . 3_765
Cu8 Au4 Au5 164.33(6) . .
Cu1 Au4 Au5 58.38(5) . .
Cu4 Au4 Au5 112.73(5) 3_765 .
Cu7 Au4 Au5 114.69(5) . .
Cu5 Au4 Au5 58.30(5) 3_765 .
Au1 Au4 Au5 60.664(19) . .
Au3 Au4 Au5 108.50(3) . .
Au2 Au4 Au5 59.36(2) 3_765 .
Cu8 Au4 Au6 58.98(5) . 3_765
Cu1 Au4 Au6 162.79(5) . 3_765
Cu4 Au4 Au6 58.87(5) 3_765 3_765
Cu7 Au4 Au6 113.44(5) . 3_765
Cu5 Au4 Au6 112.29(5) 3_765 3_765
Au1 Au4 Au6 107.66(3) . 3_765
Au3 Au4 Au6 60.01(2) . 3_765
Au2 Au4 Au6 59.74(2) 3_765 3_765
Au5 Au4 Au6 107.11(3) . 3_765
Cu9 Au5 Cu1 130.66(7) 3_765 .
Cu9 Au5 Cu5 131.60(7) 3_765 3_765
Cu1 Au5 Cu5 70.47(7) . 3_765
Cu9 Au5 Cu2 68.67(6) 3_765 .
Cu1 Au5 Cu2 67.15(6) . .
Cu5 Au5 Cu2 131.91(7) 3_765 .
Cu9 Au5 Cu6 69.57(7) 3_765 3_765
Cu1 Au5 Cu6 132.69(7) . 3_765
Cu5 Au5 Cu6 67.73(6) 3_765 3_765
Cu2 Au5 Cu6 132.62(6) . 3_765
Cu9 Au5 Au2 114.46(5) 3_765 3_765
Cu1 Au5 Au2 114.04(5) . 3_765
Cu5 Au5 Au2 58.56(5) 3_765 3_765
Cu2 Au5 Au2 164.48(5) . 3_765
Cu6 Au5 Au2 59.03(5) 3_765 3_765
Cu9 Au5 Au6 59.29(5) 3_765 .
Cu1 Au5 Au6 112.20(5) . .
Cu5 Au5 Au6 164.36(6) 3_765 .
Cu2 Au5 Au6 59.41(5) . .
Cu6 Au5 Au6 114.08(5) 3_765 .
Au2 Au5 Au6 108.11(3) 3_765 .
Cu9 Au5 Au4 164.83(6) 3_765 .
Cu1 Au5 Au4 59.00(5) . .
Cu5 Au5 Au4 59.84(5) 3_765 .
Cu2 Au5 Au4 112.44(5) . .
Cu6 Au5 Au4 113.78(5) 3_765 .
Au2 Au5 Au4 60.30(2) 3_765 .
Au6 Au5 Au4 107.46(3) . .
Cu9 Au5 Au3 59.43(5) 3_765 3_765
Cu1 Au5 Au3 164.38(6) . 3_765
Cu5 Au5 Au3 113.02(5) 3_765 3_765
Cu2 Au5 Au3 113.96(5) . 3_765
Cu6 Au5 Au3 59.12(5) 3_765 3_765
Au2 Au5 Au3 60.42(2) 3_765 3_765
Au6 Au5 Au3 60.18(2) . 3_765
Au4 Au5 Au3 108.60(3) . 3_765
Cu9 Au5 Au1 113.43(5) 3_765 .
Cu1 Au5 Au1 58.00(5) . .
Cu5 Au5 Au1 113.88(5) 3_765 .
Cu2 Au5 Au1 58.89(5) . .
Cu6 Au5 Au1 164.48(5) 3_765 .
Au2 Au5 Au1 107.73(3) 3_765 .
Au6 Au5 Au1 59.96(2) . .
Au4 Au5 Au1 59.25(2) . .
Au3 Au5 Au1 108.32(3) 3_765 .
Cu3 Au6 Cu8 130.96(7) . 3_765
Cu3 Au6 Cu9 131.99(7) . 3_765
Cu8 Au6 Cu9 70.12(7) 3_765 3_765
Cu3 Au6 Cu4 68.69(7) . .
Cu8 Au6 Cu4 67.43(6) 3_765 .
Cu9 Au6 Cu4 132.00(7) 3_765 .
Cu3 Au6 Cu2 69.13(7) . .
Cu8 Au6 Cu2 132.59(7) 3_765 .
Cu9 Au6 Cu2 68.27(7) 3_765 .
Cu4 Au6 Cu2 132.10(7) . .
Cu3 Au6 Au5 114.01(5) . .
Cu8 Au6 Au5 114.16(5) 3_765 .
Cu9 Au6 Au5 58.54(5) 3_765 .
Cu4 Au6 Au5 164.64(5) . .
Cu2 Au6 Au5 59.17(5) . .
Cu3 Au6 Au2 58.64(5) . .
Cu8 Au6 Au2 112.29(5) 3_765 .
Cu9 Au6 Au2 164.86(5) 3_765 .
Cu4 Au6 Au2 58.75(5) . .
Cu2 Au6 Au2 113.88(5) . .
Au5 Au6 Au2 108.75(2) . .
Cu3 Au6 Au1 58.65(5) . .
Cu8 Au6 Au1 164.82(5) 3_765 .
Cu9 Au6 Au1 113.44(5) 3_765 .
Cu4 Au6 Au1 113.45(5) . .
Cu2 Au6 Au1 59.08(5) . .
Au5 Au6 Au1 60.72(2) . .
Au2 Au6 Au1 60.27(2) . .
Cu3 Au6 Au3 164.74(5) . 3_765
Cu8 Au6 Au3 59.07(5) 3_765 3_765
Cu9 Au6 Au3 59.25(5) 3_765 3_765
Cu4 Au6 Au3 112.81(5) . 3_765
Cu2 Au6 Au3 113.92(5) . 3_765
Au5 Au6 Au3 60.36(2) . 3_765
Au2 Au6 Au3 108.30(2) . 3_765
Au1 Au6 Au3 109.07(2) . 3_765
Cu3 Au6 Au4 113.21(5) . 3_765
Cu8 Au6 Au4 58.18(5) 3_765 3_765
Cu9 Au6 Au4 113.75(5) 3_765 3_765
Cu4 Au6 Au4 58.74(5) . 3_765
Cu2 Au6 Au4 164.89(5) . 3_765
Au5 Au6 Au4 108.19(3) . 3_765
Au2 Au6 Au4 60.05(2) . 3_765
Au1 Au6 Au4 108.47(3) . 3_765
Au3 Au6 Au4 59.77(2) 3_765 3_765
S8 Cu14 S5 134.42(16) . .
S8 Cu14 Au2 81.22(11) . .
S5 Cu14 Au2 142.32(13) . .
S8 Cu14 Au3 108.56(12) . .
S5 Cu14 Au3 105.59(12) . .
Au2 Cu14 Au3 62.98(5) . .
S8 Cu14 Au1 143.17(13) . .
S5 Cu14 Au1 80.17(12) . .
Au2 Cu14 Au1 62.59(5) . .
Au3 Cu14 Au1 62.10(5) . .
S8 Cu14 Cu15 108.98(12) . .
S5 Cu14 Cu15 53.34(11) . .
Au2 Cu14 Cu15 110.80(8) . .
Au3 Cu14 Cu15 140.23(10) . .
Au1 Cu14 Cu15 79.92(7) . .
S8 Cu14 Cu16 53.45(11) . .
S5 Cu14 Cu16 108.49(13) . .
Au2 Cu14 Cu16 81.53(7) . .
Au3 Cu14 Cu16 143.27(10) . .
Au1 Cu14 Cu16 110.86(8) . .
Cu15 Cu14 Cu16 59.68(8) . .
S8 Cu14 Cu6 51.56(11) . .
S5 Cu14 Cu6 149.74(13) . .
Au2 Cu14 Cu6 56.69(6) . .
Au3 Cu14 Cu6 57.09(6) . .
Au1 Cu14 Cu6 107.18(8) . .
Cu15 Cu14 Cu6 155.65(10) . .
Cu16 Cu14 Cu6 96.42(9) . .
S8 Cu14 Cu3 99.47(12) . .
S5 Cu14 Cu3 99.45(13) . .
Au2 Cu14 Cu3 55.42(6) . .
Au3 Cu14 Cu3 105.60(7) . .
Au1 Cu14 Cu3 55.24(5) . .
Cu15 Cu14 Cu3 55.39(7) . .
Cu16 Cu14 Cu3 55.68(7) . .
Cu6 Cu14 Cu3 108.86(8) . .
S4 Cu3 S7 132.25(17) . .
S4 Cu3 Au6 105.89(12) . .
S7 Cu3 Au6 107.14(12) . .
S4 Cu3 Au2 143.28(13) . .
S7 Cu3 Au2 83.26(12) . .
Au6 Cu3 Au2 62.74(5) . .
S4 Cu3 Au1 80.56(11) . .
S7 Cu3 Au1 145.96(14) . .
Au6 Cu3 Au1 62.82(5) . .
Au2 Cu3 Au1 63.04(5) . .
S4 Cu3 Cu15 53.38(11) . .
S7 Cu3 Cu15 109.35(13) . .
Au6 Cu3 Cu15 142.34(10) . .
Au2 Cu3 Cu15 112.74(8) . .
Au1 Cu3 Cu15 81.53(7) . .
S4 Cu3 Cu16 109.54(12) . .
S7 Cu3 Cu16 53.29(11) . .
Au6 Cu3 Cu16 143.24(10) . .
Au2 Cu3 Cu16 82.73(8) . .
Au1 Cu3 Cu16 113.74(8) . .
Cu15 Cu3 Cu16 61.13(8) . .
S4 Cu3 Cu14 100.99(12) . .
S7 Cu3 Cu14 101.65(13) . .
Au6 Cu3 Cu14 106.38(8) . .
Au2 Cu3 Cu14 55.53(6) . .
Au1 Cu3 Cu14 56.21(5) . .
Cu15 Cu3 Cu14 57.22(7) . .
Cu16 Cu3 Cu14 57.60(7) . .
S4 Cu3 Cu4 149.20(13) . .
S7 Cu3 Cu4 51.50(11) . .
Au6 Cu3 Cu4 56.09(6) . .
Au2 Cu3 Cu4 55.86(6) . .
Au1 Cu3 Cu4 106.84(7) . .
Cu15 Cu3 Cu4 155.77(11) . .
Cu16 Cu3 Cu4 95.00(9) . .
Cu14 Cu3 Cu4 107.95(9) . .
S4 Cu3 Cu2 50.00(10) . .
S7 Cu3 Cu2 148.02(13) . .
Au6 Cu3 Cu2 56.09(6) . .
Au2 Cu3 Cu2 106.86(8) . .
Au1 Cu3 Cu2 56.03(6) . .
Cu15 Cu3 Cu2 94.84(9) . .
Cu16 Cu3 Cu2 155.87(10) . .
Cu14 Cu3 Cu2 109.09(8) . .
Cu4 Cu3 Cu2 108.76(8) . .
S9 Cu8 S14 133.47(16) 3_765 .
S9 Cu8 Au4 108.04(12) 3_765 .
S14 Cu8 Au4 107.53(12) . .
S9 Cu8 Au6 81.15(11) 3_765 3_765
S14 Cu8 Au6 142.77(14) . 3_765
Au4 Cu8 Au6 62.84(5) . 3_765
S9 Cu8 Au3 142.78(14) 3_765 .
S14 Cu8 Au3 81.18(12) . .
Au4 Cu8 Au3 62.37(5) . .
Au6 Cu8 Au3 62.26(5) 3_765 .
S9 Cu8 Cu11 52.99(12) 3_765 .
S14 Cu8 Cu11 107.52(13) . .
Au4 Cu8 Cu11 142.51(10) . .
Au6 Cu8 Cu11 81.14(8) 3_765 .
Au3 Cu8 Cu11 110.89(9) . .
S9 Cu8 Cu10 108.61(13) 3_765 .
S14 Cu8 Cu10 52.40(12) . .
Au4 Cu8 Cu10 141.00(10) . .
Au6 Cu8 Cu10 110.62(9) 3_765 .
Au3 Cu8 Cu10 80.31(8) . .
Cu11 Cu8 Cu10 59.82(8) . .
S9 Cu8 Cu4 51.62(10) 3_765 3_765
S14 Cu8 Cu4 151.05(15) . 3_765
Au4 Cu8 Cu4 56.53(6) . 3_765
Au6 Cu8 Cu4 56.41(6) 3_765 3_765
Au3 Cu8 Cu4 106.68(8) . 3_765
Cu11 Cu8 Cu4 95.79(9) . 3_765
Cu10 Cu8 Cu4 155.14(11) . 3_765
S4 Cu15 S6 135.38(17) . .
S4 Cu15 S5 114.02(17) . .
S6 Cu15 S5 110.57(16) . .
S4 Cu15 Cu3 54.30(12) . .
S6 Cu15 Cu3 108.26(15) . .
S5 Cu15 Cu3 109.87(13) . .
S4 Cu15 Cu16 109.19(14) . .
S6 Cu15 Cu16 51.77(13) . .
S5 Cu15 Cu16 109.70(14) . .
Cu3 Cu15 Cu16 59.84(8) . .
S4 Cu15 Cu14 110.25(13) . .
S6 Cu15 Cu14 94.40(14) . .
S5 Cu15 Cu14 53.72(12) . .
Cu3 Cu15 Cu14 67.39(8) . .
Cu16 Cu15 Cu14 60.62(8) . .
S11 Cu5 S10 136.80(18) . .
S11 Cu5 Au2 106.91(13) . .
S10 Cu5 Au2 105.51(13) . .
S11 Cu5 Au5 82.29(12) . 3_765
S10 Cu5 Au5 138.94(13) . 3_765
Au2 Cu5 Au5 62.04(5) . 3_765
S11 Cu5 Cu12 52.63(13) . .
S10 Cu5 Cu12 110.56(14) . .
Au2 Cu5 Cu12 141.31(10) . .
Au5 Cu5 Cu12 81.35(8) 3_765 .
S11 Cu5 Au4 143.77(14) . 3_765
S10 Cu5 Au4 77.59(12) . 3_765
Au2 Cu5 Au4 62.12(5) . 3_765
Au5 Cu5 Au4 61.86(5) 3_765 3_765
Cu12 Cu5 Au4 112.53(9) . 3_765
S11 Cu5 Cu13 109.64(15) . .
S10 Cu5 Cu13 53.16(12) . .
Au2 Cu5 Cu13 141.04(10) . .
Au5 Cu5 Cu13 110.12(9) 3_765 .
Cu12 Cu5 Cu13 61.23(8) . .
Au4 Cu5 Cu13 80.29(8) 3_765 .
S11 Cu5 Cu6 50.75(12) . .
S10 Cu5 Cu6 151.55(14) . .
Au2 Cu5 Cu6 56.35(6) . .
Au5 Cu5 Cu6 56.58(6) 3_765 .
Cu12 Cu5 Cu6 94.05(9) . .
Au4 Cu5 Cu6 106.64(8) 3_765 .
Cu13 Cu5 Cu6 154.63(10) . .
S11 Cu5 Cu4 149.77(15) . .
S10 Cu5 Cu4 49.95(12) . .
Au2 Cu5 Cu4 55.58(6) . .
Au5 Cu5 Cu4 105.15(8) 3_765 .
Cu12 Cu5 Cu4 156.33(10) . .
Au4 Cu5 Cu4 55.17(6) 3_765 .
Cu13 Cu5 Cu4 95.45(9) . .
Cu6 Cu5 Cu4 108.61(9) . .
S4 Cu2 S3 107.89(16) . .
S4 Cu2 S2 112.44(16) . .
S3 Cu2 S2 108.79(16) . .
S4 Cu2 Au5 141.07(13) . .
S3 Cu2 Au5 103.40(12) . .
S2 Cu2 Au5 77.60(11) . .
S4 Cu2 Au1 78.71(11) . .
S3 Cu2 Au1 139.97(14) . .
S2 Cu2 Au1 104.26(12) . .
Au5 Cu2 Au1 62.40(5) . .
S4 Cu2 Au6 102.85(13) . .
S3 Cu2 Au6 78.42(12) . .
S2 Cu2 Au6 138.76(13) . .
Au5 Cu2 Au6 61.42(5) . .
Au1 Cu2 Au6 61.79(5) . .
S4 Cu2 Cu1 101.14(12) . .
S3 Cu2 Cu1 149.25(14) . .
S2 Cu2 Cu1 48.75(11) . .
Au5 Cu2 Cu1 55.94(6) . .
Au1 Cu2 Cu1 55.53(6) . .
Au6 Cu2 Cu1 105.06(8) . .
S4 Cu2 Cu9 147.32(14) . 3_765
S3 Cu2 Cu9 48.37(11) . 3_765
S2 Cu2 Cu9 98.09(12) . 3_765
Au5 Cu2 Cu9 55.09(6) . 3_765
Au1 Cu2 Cu9 105.56(8) . 3_765
Au6 Cu2 Cu9 55.52(6) . 3_765
Cu1 Cu2 Cu9 107.87(8) . 3_765
S4 Cu2 Cu3 48.24(12) . .
S3 Cu2 Cu3 99.35(13) . .
S2 Cu2 Cu3 150.57(13) . .
Au5 Cu2 Cu3 104.55(8) . .
Au1 Cu2 Cu3 54.87(6) . .
Au6 Cu2 Cu3 54.79(6) . .
Cu1 Cu2 Cu3 107.55(8) . .
Cu9 Cu2 Cu3 107.16(9) 3_765 .
S1 Cu7 S5 107.27(16) . .
S1 Cu7 S14 111.85(17) . .
S5 Cu7 S14 111.22(16) . .
S1 Cu7 Au3 140.84(13) . .
S5 Cu7 Au3 102.66(13) . .
S14 Cu7 Au3 79.00(13) . .
S1 Cu7 Au1 100.34(12) . .
S5 Cu7 Au1 78.53(11) . .
S14 Cu7 Au1 140.52(15) . .
Au3 Cu7 Au1 61.53(5) . .
S1 Cu7 Au4 79.23(11) . .
S5 Cu7 Au4 139.49(13) . .
S14 Cu7 Au4 102.32(12) . .
Au3 Cu7 Au4 61.62(5) . .
Au1 Cu7 Au4 61.05(5) . .
S13 Cu6 S11 108.11(18) . .
S13 Cu6 S8 111.90(16) . .
S11 Cu6 S8 106.45(16) . .
S13 Cu6 Au2 140.51(14) . .
S11 Cu6 Au2 104.06(12) . .
S8 Cu6 Au2 79.36(10) . .
S13 Cu6 Au3 78.46(12) . .
S11 Cu6 Au3 142.16(13) . .
S8 Cu6 Au3 105.02(12) . .
Au2 Cu6 Au3 62.06(5) . .
S13 Cu6 Au5 102.09(12) . 3_765
S11 Cu6 Au5 80.57(12) . 3_765
S8 Cu6 Au5 140.34(12) . 3_765
Au2 Cu6 Au5 61.26(5) . 3_765
Au3 Cu6 Au5 61.76(5) . 3_765
S13 Cu6 Cu14 101.69(14) . .
S11 Cu6 Cu14 147.79(14) . .
S8 Cu6 Cu14 49.40(11) . .
Au2 Cu6 Cu14 55.80(6) . .
Au3 Cu6 Cu14 55.71(6) . .
Au5 Cu6 Cu14 105.12(8) 3_765 .
S13 Cu6 Cu5 146.77(14) . .
S11 Cu6 Cu5 48.94(11) . .
S8 Cu6 Cu5 99.03(12) . .
Au2 Cu6 Cu5 55.30(6) . .
Au3 Cu6 Cu5 105.65(8) . .
Au5 Cu6 Cu5 55.69(6) 3_765 .
Cu14 Cu6 Cu5 107.71(8) . .
S1 Cu1 S2 133.82(19) . .
S1 Cu1 Au1 105.56(13) . .
S2 Cu1 Au1 108.92(13) . .
S1 Cu1 Au5 144.27(15) . .
S2 Cu1 Au5 79.94(12) . .
Au1 Cu1 Au5 63.46(6) . .
S1 Cu1 Au4 81.99(12) . .
S2 Cu1 Au4 141.76(14) . .
Au1 Cu1 Au4 62.22(6) . .
Au5 Cu1 Au4 62.62(5) . .
S1 Cu1 Cu13 55.24(12) . 3_765
S2 Cu1 Cu13 106.95(14) . 3_765
Au1 Cu1 Cu13 141.60(10) . 3_765
Au5 Cu1 Cu13 110.73(9) . 3_765
Au4 Cu1 Cu13 81.10(8) . 3_765
S1 Cu1 Cu12 110.56(14) . 3_765
S2 Cu1 Cu12 51.78(11) . 3_765
Au1 Cu1 Cu12 141.55(10) . 3_765
Au5 Cu1 Cu12 79.37(8) . 3_765
Au4 Cu1 Cu12 110.00(9) . 3_765
Cu13 Cu1 Cu12 59.74(8) 3_765 3_765
S1 Cu1 Cu2 148.16(14) . .
S2 Cu1 Cu2 51.77(11) . .
Au1 Cu1 Cu2 57.17(6) . .
Au5 Cu1 Cu2 56.91(6) . .
Au4 Cu1 Cu2 107.26(9) . .
Cu13 Cu1 Cu2 154.65(11) 3_765 .
Cu12 Cu1 Cu2 95.10(9) 3_765 .
S12 Cu13 S10 133.96(18) . .
S12 Cu13 S1 113.73(18) . 3_765
S10 Cu13 S1 112.14(17) . 3_765
S12 Cu13 Cu1 96.56(14) . 3_765
S10 Cu13 Cu1 108.45(14) . 3_765
S1 Cu13 Cu1 52.11(11) 3_765 3_765
S12 Cu13 Cu5 105.41(15) . .
S10 Cu13 Cu5 53.69(12) . .
S1 Cu13 Cu5 110.28(14) 3_765 .
Cu1 Cu13 Cu5 68.64(8) 3_765 .
S12 Cu13 Cu12 51.30(13) . .
S10 Cu13 Cu12 108.67(14) . .
S1 Cu13 Cu12 109.53(13) 3_765 .
Cu1 Cu13 Cu12 61.72(8) 3_765 .
Cu5 Cu13 Cu12 58.69(8) . .
S3 Cu9 S13 136.33(17) 3_765 .
S3 Cu9 Au5 106.81(12) 3_765 3_765
S13 Cu9 Au5 105.65(12) . 3_765
S3 Cu9 Au6 80.22(12) 3_765 3_765
S13 Cu9 Au6 141.74(15) . 3_765
Au5 Cu9 Au6 62.17(5) 3_765 3_765
S3 Cu9 Au3 141.79(14) 3_765 .
S13 Cu9 Au3 79.88(13) . .
Au5 Cu9 Au3 62.56(5) 3_765 .
Au6 Cu9 Au3 62.16(5) 3_765 .
S3 Cu9 Cu11 53.27(12) 3_765 .
S13 Cu9 Cu11 109.99(13) . .
Au5 Cu9 Cu11 141.78(10) 3_765 .
Au6 Cu9 Cu11 81.11(8) 3_765 .
Au3 Cu9 Cu11 110.61(9) . .
S3 Cu9 Cu10 109.23(13) 3_765 .
S13 Cu9 Cu10 54.04(12) . .
Au5 Cu9 Cu10 141.40(10) 3_765 .
Au6 Cu9 Cu10 111.12(9) 3_765 .
Au3 Cu9 Cu10 80.47(8) . .
Cu11 Cu9 Cu10 60.00(8) . .
S3 Cu9 Cu2 50.63(10) 3_765 3_765
S13 Cu9 Cu2 149.73(15) . 3_765
Au5 Cu9 Cu2 56.24(6) 3_765 3_765
Au6 Cu9 Cu2 56.21(6) 3_765 3_765
Au3 Cu9 Cu2 106.72(8) . 3_765
Cu11 Cu9 Cu2 95.51(9) . 3_765
Cu10 Cu9 Cu2 155.10(10) . 3_765
S10 Cu4 S9 108.95(16) . .
S10 Cu4 S7 111.32(16) . .
S9 Cu4 S7 105.33(16) . .
S10 Cu4 Au2 103.51(12) . .
S9 Cu4 Au2 141.37(13) . .
S7 Cu4 Au2 81.07(11) . .
S10 Cu4 Au4 77.64(11) . 3_765
S9 Cu4 Au4 104.63(12) . 3_765
S7 Cu4 Au4 143.43(12) . 3_765
Au2 Cu4 Au4 62.41(5) . 3_765
S10 Cu4 Au6 139.85(13) . .
S9 Cu4 Au6 79.47(11) . .
S7 Cu4 Au6 103.43(12) . .
Au2 Cu4 Au6 62.14(5) . .
Au4 Cu4 Au6 62.38(5) 3_765 .
S10 Cu4 Cu8 98.91(13) . 3_765
S9 Cu4 Cu8 49.07(11) . 3_765
S7 Cu4 Cu8 146.54(14) . 3_765
Au2 Cu4 Cu8 106.12(8) . 3_765
Au4 Cu4 Cu8 55.67(6) 3_765 3_765
Au6 Cu4 Cu8 56.15(6) . 3_765
S10 Cu4 Cu3 149.11(14) . .
S9 Cu4 Cu3 100.05(13) . .
S7 Cu4 Cu3 48.65(11) . .
Au2 Cu4 Cu3 55.30(6) . .
Au4 Cu4 Cu3 105.54(7) 3_765 .
Au6 Cu4 Cu3 55.21(6) . .
Cu8 Cu4 Cu3 108.21(9) 3_765 .
S10 Cu4 Cu5 48.56(11) . .
S9 Cu4 Cu5 150.34(14) . .
S7 Cu4 Cu5 101.77(12) . .
Au2 Cu4 Cu5 54.96(6) . .
Au4 Cu4 Cu5 56.44(6) 3_765 .
Au6 Cu4 Cu5 105.81(7) . .
Cu8 Cu4 Cu5 109.07(8) 3_765 .
Cu3 Cu4 Cu5 106.87(8) . .
S6 Cu16 S7 134.96(18) . .
S6 Cu16 S8 110.80(16) . .
S7 Cu16 S8 114.15(17) . .
S6 Cu16 Cu3 108.57(15) . .
S7 Cu16 Cu3 54.06(12) . .
S8 Cu16 Cu3 108.23(12) . .
S6 Cu16 Cu15 52.92(12) . .
S7 Cu16 Cu15 108.11(14) . .
S8 Cu16 Cu15 108.41(13) . .
Cu3 Cu16 Cu15 59.03(8) . .
S6 Cu16 Cu14 94.52(13) . .
S7 Cu16 Cu14 109.98(13) . .
S8 Cu16 Cu14 52.81(11) . .
Cu3 Cu16 Cu14 66.72(8) . .
Cu15 Cu16 Cu14 59.70(8) . .
S15 Cu11 S9 134.23(19) . 3_765
S15 Cu11 S3 113.37(18) . 3_765
S9 Cu11 S3 112.41(17) 3_765 3_765
S15 Cu11 Cu8 109.05(14) . .
S9 Cu11 Cu8 53.63(12) 3_765 .
S3 Cu11 Cu8 109.68(13) 3_765 .
S15 Cu11 Cu9 96.51(14) . .
S9 Cu11 Cu9 110.49(13) 3_765 .
S3 Cu11 Cu9 53.38(12) 3_765 .
Cu8 Cu11 Cu9 68.73(8) . .
S15 Cu11 Cu10 53.17(12) . .
S9 Cu11 Cu10 109.95(14) 3_765 .
S3 Cu11 Cu10 109.54(14) 3_765 .
Cu8 Cu11 Cu10 60.63(8) . .
Cu9 Cu11 Cu10 60.22(8) . .
S14 Cu10 S15 132.19(19) . .
S14 Cu10 S13 114.33(18) . .
S15 Cu10 S13 113.38(19) . .
S14 Cu10 Cu11 108.03(14) . .
S15 Cu10 Cu11 52.10(12) . .
S13 Cu10 Cu11 108.84(14) . .
S14 Cu10 Cu9 110.60(13) . .
S15 Cu10 Cu9 95.41(14) . .
S13 Cu10 Cu9 53.01(12) . .
Cu11 Cu10 Cu9 59.78(8) . .
S14 Cu10 Cu8 53.24(12) . .
S15 Cu10 Cu8 107.07(14) . .
S13 Cu10 Cu8 109.30(13) . .
Cu11 Cu10 Cu8 59.54(8) . .
Cu9 Cu10 Cu8 68.13(8) . .
S12 Cu12 S11 133.85(19) . .
S12 Cu12 S2 111.03(17) . 3_765
S11 Cu12 S2 115.04(18) . 3_765
S12 Cu12 Cu5 107.86(15) . .
S11 Cu12 Cu5 54.49(13) . .
S2 Cu12 Cu5 108.57(14) 3_765 .
S12 Cu12 Cu13 52.58(13) . .
S11 Cu12 Cu13 110.28(15) . .
S2 Cu12 Cu13 105.52(13) 3_765 .
Cu5 Cu12 Cu13 60.08(8) . .
S12 Cu12 Cu1 95.02(15) . 3_765
S11 Cu12 Cu1 111.15(15) . 3_765
S2 Cu12 Cu1 51.44(12) 3_765 3_765
Cu5 Cu12 Cu1 67.90(8) . 3_765
Cu13 Cu12 Cu1 58.54(8) . 3_765
C85 S13 Cu9 111.8(7) . .
C85 S13 Cu10 113.6(6) . .
Cu9 S13 Cu10 72.94(13) . .
C85 S13 Cu6 113.3(6) . .
Cu9 S13 Cu6 82.40(15) . .
Cu10 S13 Cu6 132.3(2) . .
C22 S4 Cu15 112.7(7) . .
C22 S4 Cu3 116.9(6) . .
Cu15 S4 Cu3 72.32(14) . .
C22 S4 Cu2 114.5(6) . .
Cu15 S4 Cu2 132.37(19) . .
Cu3 S4 Cu2 81.76(15) . .
C64 S10 Cu13 112.9(6) . .
C64 S10 Cu5 119.1(6) . .
Cu13 S10 Cu5 73.15(14) . .
C64 S10 Cu4 112.5(6) . .
Cu13 S10 Cu4 134.42(19) . .
Cu5 S10 Cu4 81.48(15) . .
C36 S6 Cu16 111.8(6) . .
C36 S6 Cu15 113.9(5) . .
Cu16 S6 Cu15 75.31(14) . .
C57 S9 Cu11 117.5(6) . 3_765
C57 S9 Cu8 111.5(6) . 3_765
Cu11 S9 Cu8 73.38(14) 3_765 3_765
C57 S9 Cu4 109.7(6) . .
Cu11 S9 Cu4 131.38(18) 3_765 .
Cu8 S9 Cu4 79.31(14) 3_765 .
C50 S8 Cu14 108.4(7) . .
C50 S8 Cu16 115.8(6) . .
Cu14 S8 Cu16 73.74(13) . .
C50 S8 Cu6 110.0(5) . .
Cu14 S8 Cu6 79.04(13) . .
Cu16 S8 Cu6 131.96(17) . .
C8 S2 Cu1 117.3(6) . .
C8 S2 Cu12 110.4(6) . 3_765
Cu1 S2 Cu12 76.78(14) . 3_765
C8 S2 Cu2 115.9(6) . .
Cu1 S2 Cu2 79.48(15) . .
Cu12 S2 Cu2 133.62(19) 3_765 .
C43 S7 Cu16 117.7(5) . .
C43 S7 Cu3 106.7(6) . .
Cu16 S7 Cu3 72.65(14) . .
C43 S7 Cu4 110.4(5) . .
Cu16 S7 Cu4 129.42(18) . .
Cu3 S7 Cu4 79.85(14) . .
C92 S14 Cu10 112.0(6) . .
C92 S14 Cu8 116.9(6) . .
Cu10 S14 Cu8 74.35(15) . .
C92 S14 Cu7 117.2(6) . .
Cu10 S14 Cu7 130.7(2) . .
Cu8 S14 Cu7 80.66(14) . .
C99 S15 Cu11 109.5(7) . .
C99 S15 Cu10 114.0(6) . .
Cu11 S15 Cu10 74.73(14) . .
C1 S1 Cu1 112.4(6) . .
C1 S1 Cu13 115.7(6) . 3_765
Cu1 S1 Cu13 72.65(14) . 3_765
C1 S1 Cu7 113.6(6) . .
Cu1 S1 Cu7 83.20(15) . .
Cu13 S1 Cu7 130.23(19) 3_765 .
C78 S12 Cu12 115.6(6) . .
C78 S12 Cu13 112.1(5) . .
Cu12 S12 Cu13 76.12(16) . .
C15 S3 Cu11 112.4(4) . 3_765
C15 S3 Cu9 114.0(5) . 3_765
Cu11 S3 Cu9 73.34(14) 3_765 3_765
C15 S3 Cu2 114.0(4) . .
Cu11 S3 Cu2 132.9(2) 3_765 .
Cu9 S3 Cu2 81.00(14) 3_765 .
C29 S5 Cu15 112.6(4) . .
C29 S5 Cu14 118.9(5) . .
Cu15 S5 Cu14 72.94(14) . .
C29 S5 Cu7 116.3(4) . .
Cu15 S5 Cu7 131.02(19) . .
Cu14 S5 Cu7 81.50(15) . .
C71 S11 Cu12 111.2(6) . .
C71 S11 Cu5 107.6(6) . .
Cu12 S11 Cu5 72.88(14) . .
C71 S11 Cu6 116.6(6) . .
Cu12 S11 Cu6 130.2(2) . .
Cu5 S11 Cu6 80.31(16) . .
C112 P1 C124 111.4(9) . .
C112 P1 C118 108.6(11) . .
C124 P1 C118 108.2(12) . .
C112 P1 C106 109.5(10) . .
C124 P1 C106 108.5(13) . .
C118 P1 C106 110.6(9) . .
C142 P2 C136 110.6(11) . .
C142 P2 C148 113.8(12) . .
C136 P2 C148 106.2(11) . .
C142 P2 C130 106.6(11) . .
C136 P2 C130 113.0(10) . .
C148 P2 C130 106.7(10) . .
C68 C69 C64 122.2(16) . .
C62 C57 C58 120.2(17) . .
C62 C57 S9 122.0(14) . .
C58 C57 S9 117.8(13) . .
C39 C40 C41 122.0(16) . .
C118 C123 C122 120(3) . .
C37 C36 C41 118.3(16) . .
C37 C36 S6 121.1(13) . .
C41 C36 S6 120.6(13) . .
C22 C23 C24 121(2) . .
C44 C43 C48 119.9(17) . .
C44 C43 S7 120.8(14) . .
C48 C43 S7 119.1(14) . .
C9 C8 C13 116.7(18) . .
C9 C8 S2 123.7(15) . .
C13 C8 S2 119.5(14) . .
C65 C64 C69 114.3(18) . .
C65 C64 S10 125.9(16) . .
C69 C64 S10 119.7(13) . .
C113 C112 C117 116(2) . .
C113 C112 P1 121.8(16) . .
C117 C112 P1 122.4(15) . .
C132 C133 C134 115.0(19) . .
C58 C59 C60 122.9(19) . .
C87 C88 C89 115(3) . .
C87 C88 C91 119(3) . .
C89 C88 C91 125(3) . .
C123 C118 C119 121(2) . .
C123 C118 P1 119(2) . .
C119 C118 P1 120(2) . .
C60 C61 C62 124(2) . .
C46 C45 C44 120.6(18) . .
C59 C58 C57 117.4(18) . .
C78 C83 C82 123.5(19) . .
C55 C50 C51 119.7(18) . .
C55 C50 S8 118.8(17) . .
C51 C50 S8 121.5(16) . .
C100 C101 C102 116.9(18) . .
C124 C129 C128 123(3) . .
C93 C94 C95 123(2) . .
C93 C92 C97 117.6(18) . .
C93 C92 S14 120.5(16) . .
C97 C92 S14 121.9(14) . .
C36 C41 C40 119.1(17) . .
C113 C114 C115 115.0(19) . .
C86 C85 C90 120(2) . .
C86 C85 S13 122.3(16) . .
C90 C85 S13 117.8(16) . .
C47 C46 C45 121.3(19) . .
C47 C46 C49 119(2) . .
C45 C46 C49 120(2) . .
C110 C109 C108 119(2) . .
C125 C124 C129 118(2) . .
C125 C124 P1 123(2) . .
C129 C124 P1 118(2) . .
C119 C120 C121 124(3) . .
C110 C111 C106 121.2(18) . .
C23 C22 C27 120.7(18) . .
C23 C22 S4 124.6(16) . .
C27 C22 S4 114.6(16) . .
C123 C122 C121 122(2) . .
C135 C134 C133 124.9(19) . .
C6 C1 C2 118.6(18) . .
C6 C1 S1 125.6(15) . .
C2 C1 S1 115.8(15) . .
C25 C24 C23 123(2) . .
C130 C131 C132 119(2) . .
F22 C56 F24 110(2) . .
F22 C56 F23 106(2) . .
F24 C56 F23 105(2) . .
F22 C56 C53 115(2) . .
F24 C56 C53 110.4(19) . .
F23 C56 C53 110(2) . .
C101 C100 C99 123.2(17) . .
C83 C78 C79 117.9(17) . .
C83 C78 S12 121.4(15) . .
C79 C78 S12 120.4(13) . .
C38 C37 C36 125(2) . .
C127 C128 C129 113(3) . .
C61 C62 C57 118.1(19) . .
C120 C119 C118 118(3) . .
C111 C106 C107 119.4(18) . .
C111 C106 P1 120.7(16) . .
C107 C106 P1 119.4(16) . .
C30 C29 C34 120.0 . .
C30 C29 S5 119.5(7) . .
C34 C29 S5 120.2(7) . .
C31 C30 C29 120.0 . .
C30 C31 C32 120.0 . .
C33 C32 C31 120.0 . .
C33 C32 C35 122.5(17) . .
C31 C32 C35 117.5(17) . .
C32 C33 C34 120.0 . .
C33 C34 C29 120.0 . .
C46 C47 C48 120.9(19) . .
C52 C53 C54 117.0(18) . .
C52 C53 C56 123(2) . .
C54 C53 C56 120(2) . .
C67 C68 C69 121.5(18) . .
C88 C87 C86 122(3) . .
C85 C90 C89 118(2) . .
C112 C113 C114 125(2) . .
C126 C127 C128 127(2) . .
C71 C76 C75 119(2) . .
C109 C108 C107 121(2) . .
C85 C86 C87 119(2) . .
C120 C121 C122 116(2) . .
C83 C82 C81 119(2) . .
C117 C116 C115 121.0(18) . .
C9 C10 C11 111.2(19) . .
C108 C107 C106 117.8(19) . .
C100 C99 C104 115.7(18) . .
C100 C99 S15 121.9(14) . .
C104 C99 S15 122.4(16) . .
F16 C42 F18 112.5(17) . .
F16 C42 F17 113.5(19) . .
F18 C42 F17 109.7(17) . .
F16 C42 C39 106.0(18) . .
F18 C42 C39 105.7(17) . .
F17 C42 C39 109.0(17) . .
C94 C93 C92 120(2) . .
C11 C12 C13 121(2) . .
C47 C48 C43 117.5(18) . .
C131 C130 C135 121(2) . .
C131 C130 P2 119.8(16) . .
C135 C130 P2 119.0(15) . .
C124 C125 C126 122(3) . .
C61 C60 C59 117.7(19) . .
C61 C60 C63 122(2) . .
C59 C60 C63 120.2(19) . .
C103 C104 C99 121.8(19) . .
C81 C80 C79 122(2) . .
C116 C115 C114 119.9(18) . .
C88 C89 C90 125(3) . .
C16 C15 C20 120.0 . .
C16 C15 S3 120.2(8) . .
C20 C15 S3 119.8(8) . .
C17 C16 C15 120.0 . .
C18 C17 C16 120.0 . .
C17 C18 C19 120.0 . .
C17 C18 C21 118(2) . .
C19 C18 C21 122(2) . .
C20 C19 C18 120.0 . .
C19 C20 C15 120.0 . .
C103 C102 C101 120.9(19) . .
C103 C102 C105 123(2) . .
C101 C102 C105 116(3) . .
C116 C117 C112 123(2) . .
C40 C39 C38 116.7(16) . .
C40 C39 C42 117.5(17) . .
C38 C39 C42 125.7(19) . .
C12 C13 C8 121(2) . .
C139 C138 C137 123(3) . .
C96 C97 C92 121.1(19) . .
C138 C137 C136 119(2) . .
C12 C11 C10 121.0(19) . .
C12 C11 C14 121(3) . .
C10 C11 C14 118(2) . .
C134 C135 C130 116.7(19) . .
C74 C75 C76 123(2) . .
C52 C51 C50 121.3(19) . .
C146 C147 C142 122(3) . .
C24 C25 C26 117(2) . .
C24 C25 C28 123(3) . .
C26 C25 C28 120(3) . .
F39 C91 F37 112(3) . .
F39 C91 F38 104(4) . .
F37 C91 F38 101(3) . .
F39 C91 C88 116(3) . .
F37 C91 C88 114(4) . .
F38 C91 C88 109(3) . .
C147 C142 C143 115(3) . .
C147 C142 P2 118(2) . .
C143 C142 P2 127(2) . .
C5 C4 C3 119(2) . .
C5 C4 C7 119(2) . .
C3 C4 C7 122(2) . .
C43 C44 C45 119.4(19) . .
C67 C66 C65 121(2) . .
C2 C3 C4 124(2) . .
F45 C105 F44 106(3) . .
F45 C105 F43 102(3) . .
F44 C105 F43 107(3) . .
F45 C105 C102 111(3) . .
F44 C105 C102 117(3) . .
F43 C105 C102 113(2) . .
C141 C136 C137 118(2) . .
C141 C136 P2 119.1(17) . .
C137 C136 P2 122.7(17) . .
C136 C141 C140 121(2) . .
C133 C132 C131 123(2) . .
C71 C72 C73 116(2) . .
C111 C110 C109 121(2) . .
C68 C67 C66 117.1(19) . .
C68 C67 C70 121(2) . .
C66 C67 C70 121(2) . .
C152 C151 C150 130(3) . .
C73 C74 C75 117(2) . .
C73 C74 C77 126(3) . .
C75 C74 C77 116(3) . .
C8 C9 C10 128(2) . .
C144 C143 C142 124(3) . .
C37 C38 C39 119(2) . .
C76 C71 C72 119.9(18) . .
C76 C71 S11 123.5(14) . .
C72 C71 S11 116.6(16) . .
C80 C81 C82 118(2) . .
C80 C81 C84 120(2) . .
C82 C81 C84 121(3) . .
C95 C96 C97 121(2) . .
C104 C103 C102 120.9(18) . .
C1 C6 C5 122(2) . .
C51 C52 C53 121(2) . .
C4 C5 C6 119(2) . .
F33 C77 F31 107(3) . .
F33 C77 F32 102(2) . .
F31 C77 F32 105(3) . .
F33 C77 C74 115(3) . .
F31 C77 C74 116(2) . .
F32 C77 C74 112(3) . .
C80 C79 C78 118(2) . .
C153 C148 C149 118(3) . .
C153 C148 P2 115.7(16) . .
C149 C148 P2 125(2) . .
C26 C27 C22 114.1(19) . .
C96 C95 C94 118(2) . .
C96 C95 C98 118(2) . .
C94 C95 C98 124(2) . .
F19 C49 F21 114(3) . .
F19 C49 F20 99(3) . .
F21 C49 F20 90(2) . .
F19 C49 C46 119(2) . .
F21 C49 C46 118(2) . .
F20 C49 C46 111(2) . .
C53 C54 C55 122(2) . .
F11 C28 F10 102(5) . .
F11 C28 F12 111(4) . .
F10 C28 F12 103(3) . .
F11 C28 C25 116(3) . .
F10 C28 C25 111(4) . .
F12 C28 C25 113(4) . .
C141 C140 C139 119(2) . .
F27 C63 F25 108(2) . .
F27 C63 F26 107(3) . .
F25 C63 F26 103(3) . .
F27 C63 C60 114(2) . .
F25 C63 C60 113(2) . .
F26 C63 C60 111(2) . .
C25 C26 C27 124(2) . .
C64 C65 C66 124(2) . .
C50 C55 C54 119(2) . .
C74 C73 C72 124(2) . .
C3 C2 C1 117(2) . .
C151 C152 C153 115(3) . .
F35 C84 F36 108(3) . .
F35 C84 F34 106(3) . .
F36 C84 F34 98(2) . .
F35 C84 C81 120(3) . .
F36 C84 C81 111(3) . .
F34 C84 C81 112(3) . .
C127 C126 C125 116(3) . .
F5 C14 F6 114(4) . .
F5 C14 F4 102(3) . .
F6 C14 F4 107(3) . .
F5 C14 C11 113(3) . .
F6 C14 C11 113(2) . .
F4 C14 C11 107(3) . .
C148 C149 C150 120(3) . .
C148 C153 C152 121(2) . .
F3 C7 F2 109(2) . .
F3 C7 F1 106(2) . .
F2 C7 F1 102(2) . .
F3 C7 C4 115(2) . .
F2 C7 C4 113(2) . .
F1 C7 C4 111(2) . .
C151 C150 C149 116(2) . .
C138 C139 C140 120(2) . .
C143 C144 C145 117(4) . .
F29 C70 F30 109(2) . .
F29 C70 F28 98(2) . .
F30 C70 F28 102(2) . .
F29 C70 C67 116(2) . .
F30 C70 C67 117(2) . .
F28 C70 C67 112(2) . .
F41 C98 F42 117(4) . .
F41 C98 F40 107(3) . .
F42 C98 F40 95(4) . .
F41 C98 C95 119(4) . .
F42 C98 C95 112(3) . .
F40 C98 C95 103(3) . .
F7 C21 F8 108(3) . .
F7 C21 F9 111(3) . .
F8 C21 F9 103(4) . .
F7 C21 C18 113(4) . .
F8 C21 C18 113(3) . .
F9 C21 C18 108(3) . .
C144 C145 C146 123(3) . .
C147 C146 C145 118(3) . .
F14 C35 F15 115(3) . .
F14 C35 F13 94(3) . .
F15 C35 F13 100(3) . .
F14 C35 C32 120(3) . .
F15 C35 C32 116(2) . .
F13 C35 C32 108(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 Cu1 2.662(2) .
Au1 Cu3 2.676(2) .
Au1 Cu14 2.707(2) .
Au1 Cu2 2.714(2) .
Au1 Cu7 2.725(2) .
Au1 Au4 2.7687(8) .
Au1 Au3 2.7786(8) .
Au1 Au6 2.7873(8) .
Au1 Au2 2.7963(9) .
Au1 Au5 2.8086(8) .
Au2 Cu5 2.671(2) .
Au2 Cu3 2.673(2) .
Au2 Cu14 2.676(2) .
Au2 Cu4 2.691(2) .
Au2 Cu6 2.704(2) .
Au2 Au5 2.7651(8) 3_765
Au2 Au6 2.7826(8) .
Au2 Au4 2.7914(8) 3_765
Au2 Au3 2.7977(8) .
Au3 Cu14 2.680(2) .
Au3 Cu8 2.704(2) .
Au3 Cu7 2.707(2) .
Au3 Cu9 2.712(2) .
Au3 Cu6 2.723(2) .
Au3 Au4 2.7829(9) .
Au3 Au6 2.7899(8) 3_765
Au3 Au5 2.7949(9) 3_765
Au4 Cu8 2.670(2) .
Au4 Cu1 2.696(2) .
Au4 Cu4 2.697(2) 3_765
Au4 Cu7 2.726(2) .
Au4 Cu5 2.738(2) 3_765
Au4 Au2 2.7914(8) 3_765
Au4 Au5 2.7926(8) .
Au4 Au6 2.7957(9) 3_765
Au5 Cu9 2.671(2) 3_765
Au5 Cu1 2.678(2) .
Au5 Cu5 2.695(2) 3_765
Au5 Cu2 2.708(2) .
Au5 Cu6 2.723(2) 3_765
Au5 Au2 2.7651(8) 3_765
Au5 Au6 2.7695(8) .
Au5 Au3 2.7949(9) 3_765
Au6 Cu3 2.673(2) .
Au6 Cu8 2.693(2) 3_765
Au6 Cu9 2.693(2) 3_765
Au6 Cu4 2.701(2) .
Au6 Cu2 2.715(2) .
Au6 Au3 2.7899(8) 3_765
Au6 Au4 2.7957(9) 3_765
Cu14 S8 2.312(4) .
Cu14 S5 2.329(5) .
Cu14 Cu15 2.761(3) .
Cu14 Cu16 2.787(3) .
Cu14 Cu6 2.990(3) .
Cu14 Cu3 3.032(3) .
Cu3 S4 2.304(5) .
Cu3 S7 2.312(5) .
Cu3 Cu15 2.703(3) .
Cu3 Cu16 2.726(3) .
Cu3 Cu4 3.032(3) .
Cu3 Cu2 3.056(3) .
Cu8 S9 2.302(4) 3_765
Cu8 S14 2.304(4) .
Cu8 Au6 2.693(2) 3_765
Cu8 Cu11 2.739(3) .
Cu8 Cu10 2.770(3) .
Cu8 Cu4 2.994(3) 3_765
Cu15 S4 2.277(4) .
Cu15 S6 2.277(4) .
Cu15 S5 2.317(4) .
Cu15 Cu16 2.761(3) .
Cu5 S11 2.309(5) .
Cu5 S10 2.316(4) .
Cu5 Au5 2.695(2) 3_765
Cu5 Cu12 2.711(3) .
Cu5 Au4 2.738(2) 3_765
Cu5 Cu13 2.751(3) .
Cu5 Cu6 3.019(3) .
Cu5 Cu4 3.055(3) .
Cu2 S4 2.366(4) .
Cu2 S3 2.375(4) .
Cu2 S2 2.380(4) .
Cu2 Cu1 2.979(3) .
Cu2 Cu9 3.034(3) 3_765
Cu7 S1 2.393(5) .
Cu7 S5 2.403(4) .
Cu7 S14 2.427(4) .
Cu6 S13 2.371(4) .
Cu6 S11 2.372(5) .
Cu6 S8 2.386(4) .
Cu6 Au5 2.723(2) 3_765
Cu1 S1 2.271(4) .
Cu1 S2 2.278(4) .
Cu1 Cu13 2.747(3) 3_765
Cu1 Cu12 2.836(3) 3_765
Cu13 S12 2.276(5) .
Cu13 S10 2.300(5) .
Cu13 S1 2.364(4) 3_765
Cu13 Cu1 2.747(3) 3_765
Cu13 Cu12 2.782(3) .
Cu9 S3 2.296(4) 3_765
Cu9 S13 2.301(4) .
Cu9 Au5 2.671(2) 3_765
Cu9 Au6 2.693(2) 3_765
Cu9 Cu11 2.741(3) .
Cu9 Cu10 2.753(3) .
Cu9 Cu2 3.034(3) 3_765
Cu4 S10 2.365(5) .
Cu4 S9 2.388(4) .
Cu4 S7 2.411(4) .
Cu4 Au4 2.697(2) 3_765
Cu4 Cu8 2.994(3) 3_765
Cu16 S6 2.242(5) .
Cu16 S7 2.289(4) .
Cu16 S8 2.332(4) .
Cu11 S15 2.247(4) .
Cu11 S9 2.283(5) 3_765
Cu11 S3 2.293(5) 3_765
Cu11 Cu10 2.747(3) .
Cu10 S14 2.279(5) .
Cu10 S15 2.279(4) .
Cu10 S13 2.331(5) .
Cu12 S12 2.236(5) .
Cu12 S11 2.255(5) .
Cu12 S2 2.289(4) 3_765
Cu12 Cu1 2.836(3) 3_765
S13 C85 1.788(19) .
S4 C22 1.798(18) .
S10 C64 1.74(2) .
S6 C36 1.779(16) .
S9 C57 1.796(17) .
S9 Cu11 2.283(5) 3_765
S9 Cu8 2.302(4) 3_765
S8 C50 1.804(18) .
S2 C8 1.794(17) .
S2 Cu12 2.289(4) 3_765
S7 C43 1.811(17) .
S14 C92 1.813(19) .
S15 C99 1.70(2) .
S1 C1 1.802(19) .
S1 Cu13 2.364(4) 3_765
S12 C78 1.762(17) .
S3 C15 1.818(10) .
S3 Cu11 2.293(5) 3_765
S3 Cu9 2.296(4) 3_765
S5 C29 1.833(9) .
S11 C71 1.795(19) .
P1 C112 1.77(2) .
P1 C124 1.79(3) .
P1 C118 1.80(3) .
P1 C106 1.822(19) .
P2 C142 1.77(3) .
P2 C136 1.77(2) .
P2 C148 1.80(3) .
P2 C130 1.81(2) .
F15 C35 1.27(3) .
C69 C68 1.40(2) .
C69 C64 1.41(2) .
F39 C91 1.27(4) .
F21 C49 1.27(3) .
F25 C63 1.30(3) .
F3 C7 1.26(3) .
F24 C56 1.29(2) .
F42 C98 1.29(4) .
F37 C91 1.29(4) .
F23 C56 1.35(3) .
C57 C62 1.38(3) .
C57 C58 1.41(2) .
F2 C7 1.32(3) .
C40 C39 1.39(3) .
C40 C41 1.41(2) .
C123 C118 1.35(3) .
C123 C122 1.37(3) .
F22 C56 1.26(3) .
C36 C37 1.36(2) .
C36 C41 1.36(2) .
F43 C105 1.34(4) .
C23 C22 1.33(3) .
C23 C24 1.36(3) .
C43 C44 1.32(3) .
C43 C48 1.44(2) .
F6 C14 1.26(3) .
F33 C77 1.31(3) .
C8 C9 1.35(3) .
C8 C13 1.37(3) .
C64 C65 1.36(3) .
C112 C113 1.36(3) .
C112 C117 1.44(3) .
F36 C84 1.34(3) .
F29 C70 1.26(3) .
C133 C132 1.35(3) .
C133 C134 1.39(3) .
C59 C58 1.35(3) .
C59 C60 1.37(3) .
C88 C87 1.33(4) .
C88 C89 1.36(4) .
C88 C91 1.46(5) .
C118 C119 1.37(4) .
C61 C60 1.34(3) .
C61 C62 1.35(3) .
F32 C77 1.36(4) .
C45 C46 1.34(3) .
C45 C44 1.40(3) .
F28 C70 1.37(3) .
F27 C63 1.26(3) .
F5 C14 1.21(4) .
C83 C78 1.36(2) .
C83 C82 1.37(3) .
C50 C55 1.36(3) .
C50 C51 1.37(3) .
C101 C100 1.38(3) .
C101 C102 1.44(3) .
F30 C70 1.30(3) .
C129 C124 1.37(3) .
C129 C128 1.41(3) .
C94 C93 1.34(3) .
C94 C95 1.37(3) .
C92 C93 1.38(3) .
C92 C97 1.38(3) .
F1 C7 1.34(3) .
F4 C14 1.37(5) .
F31 C77 1.32(3) .
C114 C113 1.39(3) .
C114 C115 1.45(3) .
C85 C86 1.35(3) .
C85 C90 1.35(3) .
F44 C105 1.30(4) .
C46 C47 1.33(3) .
C46 C49 1.47(3) .
F10 C28 1.30(5) .
C109 C110 1.35(3) .
C109 C108 1.37(3) .
C124 C125 1.35(4) .
F14 C35 1.22(4) .
C120 C119 1.37(4) .
C120 C121 1.37(3) .
C111 C110 1.33(3) .
C111 C106 1.36(3) .
C22 C27 1.42(3) .
C122 C121 1.38(4) .
C134 C135 1.35(3) .
C1 C6 1.35(3) .
C1 C2 1.44(3) .
C24 C25 1.32(4) .
C131 C130 1.35(3) .
C131 C132 1.39(3) .
F26 C63 1.31(3) .
C56 C53 1.50(3) .
C100 C99 1.40(3) .
C78 C79 1.41(3) .
F18 C42 1.333(17) .
C37 C38 1.34(3) .
C128 C127 1.36(4) .
F38 C91 1.40(5) .
C106 C107 1.39(3) .
C29 C30 1.3900 .
C29 C34 1.3900 .
C30 C31 1.3900 .
C31 C32 1.3900 .
C32 C33 1.3900 .
C32 C35 1.44(3) .
C33 C34 1.3900 .
C47 C48 1.39(3) .
C53 C52 1.37(3) .
C53 C54 1.39(3) .
F19 C49 1.22(3) .
C68 C67 1.35(3) .
C87 C86 1.42(4) .
F35 C84 1.20(3) .
C90 C89 1.37(4) .
C127 C126 1.34(4) .
C76 C71 1.36(3) .
C76 C75 1.39(3) .
C108 C107 1.38(3) .
F13 C35 1.43(6) .
F41 C98 1.14(5) .
F20 C49 1.33(3) .
C82 C81 1.39(3) .
C116 C117 1.30(3) .
C116 C115 1.39(3) .
C10 C9 1.39(3) .
C10 C11 1.47(4) .
C99 C104 1.45(2) .
C42 F16 1.311(17) .
C42 F17 1.341(18) .
C42 C39 1.562(17) .
C12 C11 1.36(3) .
C12 C13 1.36(3) .
C130 C135 1.38(3) .
F12 C28 1.35(6) .
C125 C126 1.40(4) .
C60 C63 1.51(3) .
C104 C103 1.34(3) .
C80 C81 1.36(4) .
C80 C79 1.41(3) .
C15 C16 1.3900 .
C15 C20 1.3900 .
C16 C17 1.3900 .
C17 C18 1.3900 .
C18 C19 1.3900 .
C18 C21 1.48(3) .
C19 C20 1.3900 .
F11 C28 1.23(5) .
C102 C103 1.35(3) .
C102 C105 1.51(4) .
C39 C38 1.43(3) .
C138 C139 1.32(4) .
C138 C137 1.38(3) .
C97 C96 1.36(3) .
C137 C136 1.42(3) .
C11 C14 1.51(3) .
C75 C74 1.35(4) .
C51 C52 1.36(3) .
C147 C146 1.34(4) .
C147 C142 1.41(4) .
C25 C26 1.37(3) .
C25 C28 1.47(4) .
C142 C143 1.47(3) .
C4 C5 1.36(3) .
C4 C3 1.37(4) .
C4 C7 1.49(3) .
C66 C67 1.38(3) .
C66 C65 1.40(3) .
C3 C2 1.35(3) .
C105 F45 1.28(5) .
C136 C141 1.40(3) .
C141 C140 1.41(3) .
C72 C71 1.39(3) .
C72 C73 1.43(3) .
C67 C70 1.43(3) .
C151 C152 1.26(3) .
C151 C150 1.33(4) .
C74 C73 1.31(4) .
C74 C77 1.45(3) .
F40 C98 1.46(5) .
C143 C144 1.33(4) .
C81 C84 1.46(4) .
C96 C95 1.36(3) .
F34 C84 1.38(4) .
C6 C5 1.38(3) .
C148 C153 1.37(4) .
C148 C149 1.38(3) .
C27 C26 1.42(3) .
C95 C98 1.52(4) .
C54 C55 1.39(3) .
C140 C139 1.41(4) .
C152 C153 1.43(3) .
C149 C150 1.39(4) .
C144 C145 1.35(5) .
F7 C21 1.26(6) .
F8 C21 1.31(4) .
F9 C21 1.34(4) .
C145 C146 1.46(5) .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.500 0.003 0.000 1777 396 ' '
2 1.000 0.042 0.500 1777 396 ' '
