#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:44:41 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179024 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/22/4122277.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_4122277
loop_
_publ_author_name
'Yao, Liao-Yuan'
'Hau, Franky Ka-Wah'
'Yam, Vivian Wing-Wah'
_publ_section_title
;
 Addition Reaction-Induced Cluster-to-Cluster Transformation: Controlled
 Self-Assembly of Luminescent Polynuclear Gold(I) μ3-Sulfido Clusters.
;
_journal_issue                   30
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10801
_journal_page_last               10806
_journal_paper_doi               10.1021/ja505599v
_journal_volume                  136
_journal_year                    2014
_chemical_formula_moiety         'C156 H136 Au12 P12 S6, 4(Cl)'
_chemical_formula_sum            'C156 H136 Au12 Cl4 P12 S6'
_chemical_formula_weight         5080.05
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                100.583(2)
_cell_angle_beta                 101.699(2)
_cell_angle_gamma                112.083(2)
_cell_formula_units_Z            1
_cell_length_a                   16.3705(19)
_cell_length_b                   17.829(2)
_cell_length_c                   19.460(2)
_cell_measurement_temperature    303(2)
_cell_volume                     4937.9(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      303(2)
_diffrn_measured_fraction_theta_full 0.968
_diffrn_measured_fraction_theta_max 0.968
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0792
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            18762
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    9.127
_exptl_absorpt_correction_T_max  0.401
_exptl_absorpt_correction_T_min  0.279
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2364
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_platon_squeeze_details
;
;
_refine_diff_density_max         1.729
_refine_diff_density_min         -1.385
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.916
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     646
_refine_ls_number_reflns         18762
_refine_ls_number_restraints     1316
_refine_ls_restrained_S_all      0.891
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0699P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1166
_refine_ls_wR_factor_ref         0.1276
_reflns_number_gt                11963
_reflns_number_total             18762
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja505599v_si_003.cif
_cod_data_source_block           yly
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122276--4122277.cif.
;
_cod_original_cell_volume        4938.0(10)
_cod_database_code               4122277
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Au6 Au 0.64370(3) 0.56930(3) 0.22234(2) 0.04665(11) Uani 1 1 d U
Au2 Au 0.74695(3) 0.51614(3) -0.05845(2) 0.04519(11) Uani 1 1 d U
Au3 Au 0.68343(3) 0.62538(2) 0.03568(2) 0.04640(11) Uani 1 1 d U
Au4 Au 0.78640(3) 0.55041(3) 0.13649(2) 0.04593(11) Uani 1 1 d U
Au5 Au 0.56851(3) 0.66321(2) 0.13411(2) 0.04653(11) Uani 1 1 d U
Au1 Au 0.57386(3) 0.44396(3) -0.19503(2) 0.04892(12) Uani 1 1 d U
S1 S 0.66794(18) 0.48625(15) 0.02694(13) 0.0414(6) Uani 1 1 d U
S3 S 0.8011(2) 0.74111(19) 0.19930(17) 0.0669(8) Uani 1 1 d U
S2 S 0.51031(18) 0.51911(15) 0.12429(13) 0.0433(6) Uani 1 1 d U
P2 P 0.8186(2) 0.54189(19) -0.14566(15) 0.0523(7) Uani 1 1 d U
P3 P 0.9079(2) 0.62545(19) 0.23989(15) 0.0508(7) Uani 1 1 d U
P4 P 0.7680(2) 0.62011(19) 0.32264(15) 0.0528(7) Uani 1 1 d U
P5 P 0.7142(2) 0.76096(17) 0.03347(16) 0.0529(7) Uani 1 1 d U
P6 P 0.6332(2) 0.80480(17) 0.15417(16) 0.0506(7) Uani 1 1 d U
P1 P 0.6507(2) 0.4028(2) -0.26665(16) 0.0572(7) Uani 1 1 d U
C1 C 0.6436(2) 0.43524(19) -0.34986(10) 0.085(4) Uani 1 1 d GU
C2 C 0.5972(2) 0.4852(2) -0.36116(10) 0.097(4) Uani 1 1 d GU
H2 H 0.5652 0.4962 -0.3292 0.117 Uiso 1 1 calc R
C3 C 0.5988(2) 0.5188(2) -0.42019(9) 0.118(5) Uani 1 1 d GU
H3 H 0.5678 0.5523 -0.4277 0.142 Uiso 1 1 calc R
C4 C 0.6467(3) 0.5024(2) -0.46792(9) 0.130(5) Uani 1 1 d GU
H4 H 0.6478 0.5249 -0.5074 0.156 Uiso 1 1 calc R
C5 C 0.6931(3) 0.4524(2) -0.45662(10) 0.140(6) Uani 1 1 d GU
H5 H 0.7251 0.4415 -0.4886 0.168 Uiso 1 1 calc R
C6 C 0.6915(2) 0.4188(2) -0.39759(10) 0.114(5) Uani 1 1 d GU
H6 H 0.7225 0.3854 -0.3900 0.137 Uiso 1 1 calc R
C7 C 0.6119(2) 0.29006(16) -0.29243(12) 0.083(3) Uani 1 1 d GU
C8 C 0.5730(2) 0.24170(18) -0.36492(13) 0.149(6) Uani 1 1 d GU
H8 H 0.5697 0.2658 -0.4033 0.179 Uiso 1 1 calc R
C9 C 0.5383(3) 0.15239(18) -0.37703(15) 0.178(8) Uani 1 1 d GU
H9 H 0.5142 0.1191 -0.4255 0.214 Uiso 1 1 calc R
C10 C 0.5371(3) 0.11091(16) -0.32429(16) 0.176(8) Uani 1 1 d GU
H10 H 0.5097 0.0522 -0.3362 0.211 Uiso 1 1 calc R
C11 C 0.5766(3) 0.15806(14) -0.25619(16) 0.144(6) Uani 1 1 d GU
H11 H 0.5824 0.1324 -0.2191 0.173 Uiso 1 1 calc R
C12 C 0.6127(2) 0.25209(14) -0.23669(14) 0.106(4) Uani 1 1 d GU
H12 H 0.6352 0.2844 -0.1879 0.128 Uiso 1 1 calc R
C13 C 0.79390(17) 0.61347(16) -0.19220(10) 0.064(3) Uani 1 1 d GU
C14 C 0.74675(17) 0.65611(15) -0.16607(10) 0.081(4) Uani 1 1 d GU
H14 H 0.7303 0.6505 -0.1236 0.097 Uiso 1 1 calc R
C15 C 0.72392(19) 0.70835(17) -0.20462(10) 0.107(5) Uani 1 1 d GU
H15 H 0.6864 0.7330 -0.1912 0.128 Uiso 1 1 calc R
C16 C 0.7584(2) 0.72272(19) -0.26340(11) 0.114(5) Uani 1 1 d GU
H16 H 0.7491 0.7614 -0.2864 0.137 Uiso 1 1 calc R
C17 C 0.8055(2) 0.67979(19) -0.28671(11) 0.105(5) Uani 1 1 d GU
H17 H 0.8232 0.6858 -0.3286 0.127 Uiso 1 1 calc R
C18 C 0.8271(2) 0.62931(18) -0.25128(10) 0.079(4) Uani 1 1 d GU
H18 H 0.8642 0.6047 -0.2659 0.095 Uiso 1 1 calc R
C19 C 0.94221(17) 0.57828(16) -0.11468(11) 0.060(2) Uani 1 1 d GU
C20 C 1.00150(16) 0.66008(17) -0.11484(12) 0.089(4) Uani 1 1 d GU
H20 H 0.9787 0.6951 -0.1335 0.107 Uiso 1 1 calc R
C21 C 1.09829(16) 0.68572(19) -0.08463(13) 0.109(5) Uani 1 1 d GU
H21 H 1.1391 0.7392 -0.0836 0.131 Uiso 1 1 calc R
C22 C 1.13294(17) 0.6366(2) -0.05789(14) 0.106(5) Uani 1 1 d GU
H22 H 1.1965 0.6555 -0.0398 0.127 Uiso 1 1 calc R
C23 C 1.07586(17) 0.56024(19) -0.05728(13) 0.083(4) Uani 1 1 d GU
H23 H 1.1003 0.5263 -0.0385 0.100 Uiso 1 1 calc R
C24 C 0.98175(17) 0.53083(17) -0.08381(12) 0.071(3) Uani 1 1 d GU
H24 H 0.9437 0.4782 -0.0811 0.086 Uiso 1 1 calc R
C25 C 1.00652(14) 0.69760(15) 0.21941(10) 0.064(3) Uani 1 1 d GU
C26 C 1.08152(14) 0.76514(16) 0.27197(11) 0.088(4) Uani 1 1 d GU
H26 H 1.0780 0.7813 0.3191 0.106 Uiso 1 1 calc R
C27 C 1.16183(14) 0.80902(18) 0.25538(12) 0.106(5) Uani 1 1 d GU
H27 H 1.2139 0.8503 0.2920 0.128 Uiso 1 1 calc R
C28 C 1.16283(13) 0.79025(17) 0.18403(13) 0.112(5) Uani 1 1 d GU
H28 H 1.2133 0.8232 0.1711 0.134 Uiso 1 1 calc R
C29 C 1.08902(13) 0.72242(16) 0.13118(12) 0.094(4) Uani 1 1 d GU
H29 H 1.0928 0.7069 0.0840 0.113 Uiso 1 1 calc R
C30 C 1.00944(13) 0.67743(15) 0.14791(11) 0.075(3) Uani 1 1 d GU
H30 H 0.9586 0.6342 0.1116 0.090 Uiso 1 1 calc R
C31 C 0.95950(18) 0.56834(17) 0.28626(11) 0.053(2) Uani 1 1 d GU
C32 C 1.03320(19) 0.60744(19) 0.35016(11) 0.060(3) Uani 1 1 d GU
H32 H 1.0550 0.6651 0.3716 0.072 Uiso 1 1 calc R
C33 C 1.0740(2) 0.5645(2) 0.38198(12) 0.081(3) Uani 1 1 d GU
H33 H 1.1235 0.5924 0.4246 0.097 Uiso 1 1 calc R
C34 C 1.0413(2) 0.4761(2) 0.35027(14) 0.080(4) Uani 1 1 d GU
H34 H 1.0692 0.4461 0.3723 0.096 Uiso 1 1 calc R
C35 C 0.9686(2) 0.43504(19) 0.28728(14) 0.075(3) Uani 1 1 d GU
H35 H 0.9485 0.3775 0.2662 0.091 Uiso 1 1 calc R
C36 C 0.92355(19) 0.47927(17) 0.25383(12) 0.066(3) Uani 1 1 d GU
H36 H 0.8725 0.4513 0.2123 0.079 Uiso 1 1 calc R
C37 C 0.7885(2) 0.53684(18) 0.35535(12) 0.061(3) Uani 1 1 d GU
C38 C 0.8565(2) 0.5554(2) 0.41659(12) 0.075(3) Uani 1 1 d GU
H38 H 0.8944 0.6112 0.4439 0.090 Uiso 1 1 calc R
C39 C 0.8691(2) 0.4887(2) 0.43834(13) 0.101(4) Uani 1 1 d GU
H39 H 0.9172 0.5007 0.4796 0.121 Uiso 1 1 calc R
C40 C 0.8121(3) 0.4072(2) 0.40017(15) 0.104(5) Uani 1 1 d GU
H40 H 0.8204 0.3635 0.4156 0.125 Uiso 1 1 calc R
C41 C 0.7422(2) 0.38952(18) 0.33880(15) 0.115(5) Uani 1 1 d GU
H41 H 0.7023 0.3338 0.3126 0.138 Uiso 1 1 calc R
C42 C 0.7315(2) 0.45347(17) 0.31651(14) 0.083(4) Uani 1 1 d GU
H42 H 0.6848 0.4412 0.2741 0.100 Uiso 1 1 calc R
C43 C 0.7537(2) 0.68137(19) 0.40014(11) 0.060(3) Uani 1 1 d GU
C44 C 0.8248(2) 0.7421(2) 0.45735(10) 0.094(4) Uani 1 1 d GU
H44 H 0.8847 0.7593 0.4542 0.113 Uiso 1 1 calc R
C45 C 0.8103(2) 0.7801(2) 0.52162(10) 0.122(6) Uani 1 1 d GU
H45 H 0.8596 0.8207 0.5608 0.146 Uiso 1 1 calc R
C46 C 0.7214(2) 0.7550(2) 0.52397(12) 0.105(5) Uani 1 1 d GU
H46 H 0.7102 0.7787 0.5657 0.126 Uiso 1 1 calc R
C47 C 0.6475(2) 0.6950(2) 0.46567(13) 0.105(5) Uani 1 1 d GU
H47 H 0.5874 0.6803 0.4676 0.126 Uiso 1 1 calc R
C48 C 0.6636(2) 0.6576(2) 0.40538(12) 0.081(4) Uani 1 1 d GU
H48 H 0.6141 0.6157 0.3671 0.098 Uiso 1 1 calc R
C49 C 0.81873(16) 0.80443(12) 0.00888(11) 0.065(3) Uani 1 1 d GU
C50 C 0.88441(15) 0.77744(12) 0.02687(10) 0.087(4) Uani 1 1 d GU
H50 H 0.8752 0.7359 0.0510 0.105 Uiso 1 1 calc R
C51 C 0.96640(15) 0.81206(13) 0.00917(11) 0.105(5) Uani 1 1 d GU
H51 H 1.0121 0.7946 0.0247 0.127 Uiso 1 1 calc R
C52 C 0.98320(17) 0.86785(14) -0.02811(13) 0.119(5) Uani 1 1 d GU
H52 H 1.0384 0.8881 -0.0397 0.143 Uiso 1 1 calc R
C53 C 0.91454(19) 0.89608(14) -0.04997(13) 0.117(5) Uani 1 1 d GU
H53 H 0.9232 0.9349 -0.0770 0.140 Uiso 1 1 calc R
C54 C 0.83428(18) 0.86479(13) -0.03028(12) 0.097(4) Uani 1 1 d GU
H54 H 0.7896 0.8841 -0.0433 0.117 Uiso 1 1 calc R
C55 C 0.62285(17) 0.77052(16) -0.02957(11) 0.063(3) Uani 1 1 d GU
C56 C 0.6211(2) 0.84280(17) -0.03843(12) 0.083(4) Uani 1 1 d GU
H56 H 0.6704 0.8936 -0.0099 0.100 Uiso 1 1 calc R
C57 C 0.5496(2) 0.8452(2) -0.08785(13) 0.112(5) Uani 1 1 d GU
H57 H 0.5522 0.8963 -0.0944 0.135 Uiso 1 1 calc R
C58 C 0.4750(2) 0.7712(2) -0.12706(13) 0.148(7) Uani 1 1 d GU
H58 H 0.4265 0.7721 -0.1610 0.178 Uiso 1 1 calc R
C59 C 0.47017(18) 0.6974(2) -0.11762(13) 0.136(7) Uani 1 1 d GU
H59 H 0.4178 0.6476 -0.1433 0.163 Uiso 1 1 calc R
C60 C 0.54425(16) 0.69577(17) -0.06895(11) 0.095(4) Uani 1 1 d GU
H60 H 0.5414 0.6445 -0.0626 0.114 Uiso 1 1 calc R
C61 C 0.5574(2) 0.84587(18) 0.11013(13) 0.063(3) Uani 1 1 d GDU
C62 C 0.5852(2) 0.92971(19) 0.11317(14) 0.093(4) Uani 1 1 d GU
H62 H 0.6466 0.9677 0.1364 0.111 Uiso 1 1 calc R
C63 C 0.5234(3) 0.9581(2) 0.08217(16) 0.117(5) Uani 1 1 d GU
H63 H 0.5438 1.0145 0.0830 0.141 Uiso 1 1 calc R
C64 C 0.4356(2) 0.9059(2) 0.05139(16) 0.128(6) Uani 1 1 d GU
H64 H 0.3941 0.9270 0.0338 0.154 Uiso 1 1 calc R
C65 C 0.4046(2) 0.8234(2) 0.04475(16) 0.132(6) Uani 1 1 d GU
H65 H 0.3431 0.7865 0.0203 0.158 Uiso 1 1 calc R
C66 C 0.46826(19) 0.7937(2) 0.07613(14) 0.099(5) Uani 1 1 d GDU
H66 H 0.4476 0.7366 0.0730 0.119 Uiso 1 1 calc R
C67 C 0.6763(2) 0.86358(16) 0.24978(12) 0.058(2) Uani 1 1 d GU
C68 C 0.7289(2) 0.95128(16) 0.27481(13) 0.100(4) Uani 1 1 d GU
H68 H 0.7415 0.9813 0.2409 0.120 Uiso 1 1 calc R
C69 C 0.7628(2) 0.99431(17) 0.34857(13) 0.114(5) Uani 1 1 d GU
H69 H 0.7974 1.0526 0.3638 0.136 Uiso 1 1 calc R
C70 C 0.7455(2) 0.95188(19) 0.39853(12) 0.118(5) Uani 1 1 d GU
H70 H 0.7698 0.9811 0.4481 0.142 Uiso 1 1 calc R
C71 C 0.6939(2) 0.86797(19) 0.37762(12) 0.118(5) Uani 1 1 d GU
H71 H 0.6808 0.8400 0.4127 0.142 Uiso 1 1 calc R
C72 C 0.6587(2) 0.82119(18) 0.30153(12) 0.084(4) Uani 1 1 d GU
H72 H 0.6243 0.7629 0.2873 0.101 Uiso 1 1 calc R
C73 C 0.7753(7) 0.4439(7) -0.2203(5) 0.049(2) Uani 1 1 d U
C75 C 0.8812(8) 0.6894(7) 0.3103(6) 0.054(2) Uani 1 1 d U
H75 H 0.9299 0.7079 0.3567 0.064 Uiso 1 1 calc R
C77 C 0.7370(7) 0.8355(6) 0.1218(6) 0.050(2) Uani 1 1 d U
H77 H 0.7516 0.8914 0.1145 0.060 Uiso 1 1 calc R
C74 C 0.8252(8) 0.4050(7) -0.2387(6) 0.059(3) Uani 1 1 d U
H74A H 0.8876 0.4270 -0.2132 0.071 Uiso 1 1 calc R
H74B H 0.7981 0.3556 -0.2773 0.071 Uiso 1 1 calc R
C78 C 0.8233(8) 0.8416(6) 0.1812(6) 0.059(3) Uani 1 1 d U
H78A H 0.8366 0.8839 0.2262 0.071 Uiso 1 1 calc R
H78B H 0.8770 0.8590 0.1636 0.071 Uiso 1 1 calc R
C76 C 0.8779(8) 0.7702(7) 0.2910(6) 0.061(3) Uani 1 1 d U
H76A H 0.9395 0.8095 0.2940 0.073 Uiso 1 1 calc R
H76B H 0.8563 0.7979 0.3260 0.073 Uiso 1 1 calc R
Cl1 Cl 0.0777(4) 0.8246(4) 0.4647(3) 0.157(2) Uani 1 1 d U
Cl2 Cl 0.7952(8) 0.0610(5) 0.0792(9) 0.419(10) Uani 1 1 d U
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
P4 Au6 S2 176.15(9) . .
P4 Au6 Au5 129.46(8) . .
S2 Au6 Au5 50.01(6) . .
P4 Au6 Au4 83.60(7) . .
S2 Au6 Au4 100.25(6) . .
Au5 Au6 Au4 98.305(16) . .
P2 Au2 S1 177.63(11) . .
P2 Au2 Au3 130.26(7) . .
S1 Au2 Au3 50.29(6) . .
P2 Au2 Au1 80.78(8) . .
S1 Au2 Au1 96.90(6) . .
Au3 Au2 Au1 95.955(17) . .
P5 Au3 S1 170.96(9) . .
P5 Au3 Au2 122.08(7) . .
S1 Au3 Au2 49.04(6) . .
P5 Au3 Au5 80.87(7) . .
S1 Au3 Au5 108.15(6) . .
Au2 Au3 Au5 156.243(19) . .
P5 Au3 Au4 132.25(8) . .
S1 Au3 Au4 47.43(6) . .
Au2 Au3 Au4 71.689(15) . .
Au5 Au3 Au4 98.103(16) . .
P3 Au4 S1 174.07(10) . .
P3 Au4 Au3 126.09(7) . .
S1 Au4 Au3 48.75(6) . .
P3 Au4 Au6 91.31(7) . .
S1 Au4 Au6 90.35(6) . .
Au3 Au4 Au6 79.392(15) . .
P6 Au5 S2 174.65(10) . .
P6 Au5 Au6 125.04(8) . .
S2 Au5 Au6 49.84(6) . .
P6 Au5 Au1 129.57(7) . 2_665
S2 Au5 Au1 49.21(6) . 2_665
Au6 Au5 Au1 68.854(16) . 2_665
P6 Au5 Au3 96.35(7) . .
S2 Au5 Au3 84.79(6) . .
Au6 Au5 Au3 83.216(15) . .
Au1 Au5 Au3 133.978(17) 2_665 .
P1 Au1 S2 177.59(11) . 2_665
P1 Au1 Au5 128.22(8) . 2_665
S2 Au1 Au5 49.87(6) 2_665 2_665
P1 Au1 Au2 90.81(8) . .
S2 Au1 Au2 91.02(6) 2_665 .
Au5 Au1 Au2 99.323(18) 2_665 .
Au4 S1 Au2 102.17(10) . .
Au4 S1 Au3 83.82(8) . .
Au2 S1 Au3 80.67(8) . .
C76 S3 C78 103.4(5) . .
Au1 S2 Au6 94.30(9) 2_665 .
Au1 S2 Au5 80.92(7) 2_665 .
Au6 S2 Au5 80.16(8) . .
C19 P2 C13 108.2(2) . .
C19 P2 C73 105.6(3) . .
C13 P2 C73 103.1(3) . .
C19 P2 Au2 114.79(15) . .
C13 P2 Au2 114.52(14) . .
C73 P2 Au2 109.6(3) . .
C31 P3 C25 100.77(17) . .
C31 P3 C75 105.9(3) . .
C25 P3 C75 107.1(4) . .
C31 P3 Au4 117.88(17) . .
C25 P3 Au4 110.96(14) . .
C75 P3 Au4 113.1(4) . .
C43 P4 C37 103.97(16) . .
C43 P4 C75 106.5(4) . .
C37 P4 C75 105.3(3) . .
C43 P4 Au6 112.03(15) . .
C37 P4 Au6 113.20(18) . .
C75 P4 Au6 114.9(3) . .
C49 P5 C55 108.66(17) . .
C49 P5 C77 104.1(4) . .
C55 P5 C77 104.9(3) . .
C49 P5 Au3 108.99(13) . .
C55 P5 Au3 114.11(17) . .
C77 P5 Au3 115.4(3) . .
C67 P6 C61 105.96(15) . .
C67 P6 C77 104.4(4) . .
C61 P6 C77 108.6(3) . .
C67 P6 Au5 113.71(16) . .
C61 P6 Au5 114.66(18) . .
C77 P6 Au5 108.9(3) . .
C7 P1 C1 107.70(18) . .
C7 P1 C73 103.7(4) . .
C1 P1 C73 105.1(3) . .
C7 P1 Au1 111.93(18) . .
C1 P1 Au1 114.35(16) . .
C73 P1 Au1 113.2(3) . .
C2 C1 C6 120.0 . .
C2 C1 P1 118.41(12) . .
C6 C1 P1 121.22(12) . .
C3 C2 C1 120.0 . .
C3 C2 H2 120.0 . .
C1 C2 H2 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.0 . .
C3 C4 H4 120.0 . .
C5 C4 H4 120.0 . .
C6 C5 C4 120.0 . .
C6 C5 H5 120.0 . .
C4 C5 H5 120.0 . .
C5 C6 C1 120.0 . .
C5 C6 H6 120.0 . .
C1 C6 H6 120.0 . .
C12 C7 C8 120.6 . .
C12 C7 P1 117.21(12) . .
C8 C7 P1 121.81(12) . .
C7 C8 C9 115.8 . .
C7 C8 H8 122.1 . .
C9 C8 H8 122.1 . .
C10 C9 C8 126.4 . .
C10 C9 H9 116.8 . .
C8 C9 H9 116.8 . .
C11 C10 C9 116.6 . .
C11 C10 H10 121.7 . .
C9 C10 H10 121.7 . .
C10 C11 C12 121.6 . .
C10 C11 H11 119.2 . .
C12 C11 H11 119.2 . .
C7 C12 C11 118.7 . .
C7 C12 H12 120.6 . .
C11 C12 H12 120.6 . .
C14 C13 C18 120.1 . .
C14 C13 P2 119.23(10) . .
C18 C13 P2 120.55(10) . .
C13 C14 C15 118.8 . .
C13 C14 H14 120.6 . .
C15 C14 H14 120.6 . .
C16 C15 C14 119.1 . .
C16 C15 H15 120.5 . .
C14 C15 H15 120.5 . .
C17 C16 C15 119.6 . .
C17 C16 H16 120.2 . .
C15 C16 H16 120.2 . .
C18 C17 C16 122.0 . .
C18 C17 H17 119.0 . .
C16 C17 H17 119.0 . .
C17 C18 C13 119.8 . .
C17 C18 H18 120.1 . .
C13 C18 H18 120.1 . .
C24 C19 C20 118.2 . .
C24 C19 P2 121.33(11) . .
C20 C19 P2 120.15(11) . .
C19 C20 C21 116.2 . .
C19 C20 H20 121.9 . .
C21 C20 H20 121.9 . .
C22 C21 C20 123.2 . .
C22 C21 H21 118.4 . .
C20 C21 H21 118.4 . .
C21 C22 C23 119.6 . .
C21 C22 H22 120.2 . .
C23 C22 H22 120.2 . .
C22 C23 C24 121.3 . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C23 C24 C19 121.3 . .
C23 C24 H24 119.3 . .
C19 C24 H24 119.3 . .
C30 C25 C26 119.2 . .
C30 C25 P3 116.51(11) . .
C26 C25 P3 123.91(11) . .
C25 C26 C27 121.2 . .
C25 C26 H26 119.4 . .
C27 C26 H26 119.4 . .
C28 C27 C26 118.8 . .
C28 C27 H27 120.6 . .
C26 C27 H27 120.6 . .
C27 C28 C29 120.3 . .
C27 C28 H28 119.8 . .
C29 C28 H28 119.8 . .
C28 C29 C30 120.7 . .
C28 C29 H29 119.7 . .
C30 C29 H29 119.7 . .
C25 C30 C29 119.3 . .
C25 C30 H30 120.3 . .
C29 C30 H30 120.3 . .
C32 C31 C36 119.6 . .
C32 C31 P3 122.84(12) . .
C36 C31 P3 117.55(12) . .
C33 C32 C31 122.0 . .
C33 C32 H32 119.0 . .
C31 C32 H32 119.0 . .
C32 C33 C34 119.9 . .
C32 C33 H33 120.1 . .
C34 C33 H33 120.1 . .
C35 C34 C33 120.0 . .
C35 C34 H34 120.0 . .
C33 C34 H34 120.0 . .
C34 C35 C36 120.8 . .
C34 C35 H35 119.6 . .
C36 C35 H35 119.6 . .
C35 C36 C31 117.7 . .
C35 C36 H36 121.2 . .
C31 C36 H36 121.2 . .
C38 C37 C42 119.9 . .
C38 C37 P4 121.37(13) . .
C42 C37 P4 118.74(13) . .
C37 C38 C39 118.5 . .
C37 C38 H38 120.7 . .
C39 C38 H38 120.7 . .
C40 C39 C38 121.0 . .
C40 C39 H39 119.5 . .
C38 C39 H39 119.5 . .
C39 C40 C41 119.6 . .
C39 C40 H40 120.2 . .
C41 C40 H40 120.2 . .
C42 C41 C40 119.6 . .
C42 C41 H41 120.2 . .
C40 C41 H41 120.2 . .
C41 C42 C37 121.4 . .
C41 C42 H42 119.3 . .
C37 C42 H42 119.3 . .
C44 C43 C48 118.1 . .
C44 C43 P4 124.25(13) . .
C48 C43 P4 117.16(13) . .
C43 C44 C45 122.0 . .
C43 C44 H44 119.0 . .
C45 C44 H44 119.0 . .
C46 C45 C44 117.6 . .
C46 C45 H45 121.2 . .
C44 C45 H45 121.2 . .
C45 C46 C47 121.6 . .
C45 C46 H46 119.2 . .
C47 C46 H46 119.2 . .
C48 C47 C46 119.6 . .
C48 C47 H47 120.2 . .
C46 C47 H47 120.2 . .
C47 C48 C43 121.0 . .
C47 C48 H48 119.5 . .
C43 C48 H48 119.5 . .
C50 C49 C54 118.0 . .
C50 C49 P5 119.39(10) . .
C54 C49 P5 122.57(10) . .
C49 C50 C51 119.7 . .
C49 C50 H50 120.2 . .
C51 C50 H50 120.2 . .
C52 C51 C50 124.1 . .
C52 C51 H51 117.9 . .
C50 C51 H51 117.9 . .
C51 C52 C53 117.9 . .
C51 C52 H52 121.1 . .
C53 C52 H52 121.1 . .
C54 C53 C52 118.7 . .
C54 C53 H53 120.7 . .
C52 C53 H53 120.7 . .
C53 C54 C49 121.5 . .
C53 C54 H54 119.2 . .
C49 C54 H54 119.2 . .
C56 C55 C60 116.9 . .
C56 C55 P5 126.19(11) . .
C60 C55 P5 116.73(11) . .
C55 C56 C57 123.0 . .
C55 C56 H56 118.5 . .
C57 C56 H56 118.5 . .
C58 C57 C56 118.8 . .
C58 C57 H57 120.6 . .
C56 C57 H57 120.6 . .
C59 C58 C57 121.1 . .
C59 C58 H58 119.5 . .
C57 C58 H58 119.5 . .
C58 C59 C60 119.5 . .
C58 C59 H59 120.3 . .
C60 C59 H59 120.3 . .
C59 C60 C55 120.6 . .
C59 C60 H60 119.7 . .
C55 C60 H60 119.7 . .
C66 C61 C62 117.3 . .
C66 C61 P6 119.27(13) . .
C62 C61 P6 123.35(13) . .
C61 C62 C63 120.8 . .
C61 C62 H62 119.6 . .
C63 C62 H62 119.6 . .
C64 C63 C62 120.5 . .
C64 C63 H63 119.7 . .
C62 C63 H63 119.7 . .
C63 C64 C65 121.6 . .
C63 C64 H64 119.2 . .
C65 C64 H64 119.2 . .
C64 C65 C66 118.0 . .
C64 C65 H65 121.0 . .
C66 C65 H65 121.0 . .
C61 C66 C65 121.7 . .
C61 C66 H66 119.1 . .
C65 C66 H66 119.1 . .
C72 C67 C68 117.6 . .
C72 C67 P6 119.42(12) . .
C68 C67 P6 122.98(12) . .
C69 C68 C67 121.6 . .
C69 C68 H68 119.2 . .
C67 C68 H68 119.2 . .
C70 C69 C68 120.1 . .
C70 C69 H69 120.0 . .
C68 C69 H69 120.0 . .
C71 C70 C69 120.9 . .
C71 C70 H70 119.6 . .
C69 C70 H70 119.6 . .
C70 C71 C72 120.5 . .
C70 C71 H71 119.8 . .
C72 C71 H71 119.8 . .
C67 C72 C71 119.3 . .
C67 C72 H72 120.3 . .
C71 C72 H72 120.3 . .
C74 C73 P2 125.2(9) . .
C74 C73 P1 122.5(9) . .
P2 C73 P1 112.3(5) . .
C76 C75 P3 112.5(7) . .
C76 C75 P4 111.2(7) . .
P3 C75 P4 108.7(6) . .
C76 C75 H75 108.1 . .
P3 C75 H75 108.1 . .
P4 C75 H75 108.1 . .
C78 C77 P5 110.9(7) . .
C78 C77 P6 110.9(7) . .
P5 C77 P6 110.8(6) . .
C78 C77 H77 108.0 . .
P5 C77 H77 108.0 . .
P6 C77 H77 108.0 . .
C73 C74 H74A 120.0 . .
C73 C74 H74B 120.0 . .
H74A C74 H74B 120.0 . .
C77 C78 S3 110.9(7) . .
C77 C78 H78A 109.5 . .
S3 C78 H78A 109.5 . .
C77 C78 H78B 109.5 . .
S3 C78 H78B 109.5 . .
H78A C78 H78B 108.0 . .
C75 C76 S3 110.2(7) . .
C75 C76 H76A 109.6 . .
S3 C76 H76A 109.6 . .
C75 C76 H76B 109.6 . .
S3 C76 H76B 109.6 . .
H76A C76 H76B 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au6 P4 2.263(3) .
Au6 S2 2.329(3) .
Au6 Au5 3.0026(6) .
Au6 Au4 3.2140(6) .
Au2 P2 2.271(3) .
Au2 S1 2.323(2) .
Au2 Au3 3.0357(5) .
Au2 Au1 3.1140(7) .
Au3 P5 2.287(3) .
Au3 S1 2.367(2) .
Au3 Au5 3.0990(6) .
Au3 Au4 3.1296(5) .
Au4 P3 2.276(3) .
Au4 S1 2.318(3) .
Au5 P6 2.260(3) .
Au5 S2 2.335(2) .
Au5 Au1 3.0155(6) 2_665
Au1 P1 2.257(3) .
Au1 S2 2.312(2) 2_665
Au1 Au5 3.0155(6) 2_665
S3 C76 1.814(11) .
S3 C78 1.806(11) .
S2 Au1 2.312(2) 2_665
P2 C19 1.804(4) .
P2 C13 1.810(3) .
P2 C73 1.839(11) .
P3 C31 1.800(3) .
P3 C25 1.819(4) .
P3 C75 1.847(10) .
P4 C43 1.803(3) .
P4 C37 1.833(3) .
P4 C75 1.894(12) .
P5 C49 1.797(4) .
P5 C55 1.815(3) .
P5 C77 1.841(10) .
P6 C67 1.804(4) .
P6 C61 1.815(3) .
P6 C77 1.855(11) .
P1 C7 1.798(4) .
P1 C1 1.814(4) .
P1 C73 1.843(11) .
C1 C2 1.3900 .
C1 C6 1.3900 .
C2 C3 1.3900 .
C2 H2 0.9300 .
C3 C4 1.3900 .
C3 H3 0.9300 .
C4 C5 1.3900 .
C4 H4 0.9300 .
C5 C6 1.3900 .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C12 1.3806 .
C7 C8 1.3837 .
C8 C9 1.4288 .
C8 H8 0.9300 .
C9 C10 1.3699 .
C9 H9 0.9300 .
C10 C11 1.3099 .
C10 H10 0.9300 .
C11 C12 1.4948 .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C14 1.3751 .
C13 C18 1.3981 .
C14 C15 1.4052 .
C14 H14 0.9300 .
C15 C16 1.3973 .
C15 H15 0.9300 .
C16 C17 1.3581 .
C16 H16 0.9300 .
C17 C18 1.3338 .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.3915 .
C19 C20 1.4169 .
C20 C21 1.4298 .
C20 H20 0.9300 .
C21 C22 1.3338 .
C21 H21 0.9300 .
C22 C23 1.3349 .
C22 H22 0.9300 .
C23 C24 1.3732 .
C23 H23 0.9300 .
C24 H24 0.9300 .
C25 C30 1.3869 .
C25 C26 1.3895 .
C26 C27 1.3915 .
C26 H26 0.9300 .
C27 C28 1.3722 .
C27 H27 0.9300 .
C28 C29 1.3858 .
C28 H28 0.9300 .
C29 C30 1.3889 .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.3888 .
C31 C36 1.4301 .
C32 C33 1.3444 .
C32 H32 0.9300 .
C33 C34 1.4234 .
C33 H33 0.9300 .
C34 C35 1.3705 .
C34 H34 0.9300 .
C35 C36 1.4213 .
C35 H35 0.9300 .
C36 H36 0.9300 .
C37 C38 1.3449 .
C37 C42 1.3822 .
C38 C39 1.4022 .
C38 H38 0.9300 .
C39 C40 1.3566 .
C39 H39 0.9300 .
C40 C41 1.3680 .
C40 H40 0.9300 .
C41 C42 1.3489 .
C41 H41 0.9300 .
C42 H42 0.9300 .
C43 C44 1.3608 .
C43 C48 1.4053 .
C44 C45 1.4174 .
C44 H44 0.9300 .
C45 C46 1.3668 .
C45 H45 0.9300 .
C46 C47 1.3851 .
C46 H46 0.9300 .
C47 C48 1.3636 .
C47 H47 0.9300 .
C48 H48 0.9300 .
C49 C50 1.3449 .
C49 C54 1.4063 .
C50 C51 1.3942 .
C50 H50 0.9300 .
C51 C52 1.3160 .
C51 H51 0.9300 .
C52 C53 1.4169 .
C52 H52 0.9300 .
C53 C54 1.3841 .
C53 H53 0.9300 .
C54 H54 0.9300 .
C55 C56 1.3415 .
C55 C60 1.3981 .
C56 C57 1.3751 .
C56 H56 0.9300 .
C57 C58 1.3617 .
C57 H57 0.9300 .
C58 C59 1.3381 .
C58 H58 0.9300 .
C59 C60 1.3925 .
C59 H59 0.9300 .
C60 H60 0.9300 .
C61 C66 1.3394 .
C61 C62 1.3750 .
C62 C63 1.3760 .
C62 H62 0.9300 .
C63 C64 1.3159 .
C63 H63 0.9300 .
C64 C65 1.3337 .
C64 H64 0.9300 .
C65 C66 1.4193 .
C65 H65 0.9300 .
C66 H66 0.9300 .
C67 C72 1.3792 .
C67 C68 1.4008 .
C68 C69 1.3817 .
C68 H68 0.9300 .
C69 C70 1.3484 .
C69 H69 0.9300 .
C70 C71 1.3434 .
C70 H70 0.9300 .
C71 C72 1.4348 .
C71 H71 0.9300 .
C72 H72 0.9300 .
C73 C74 1.314(13) .
C75 C76 1.571(14) .
C75 H75 0.9800 .
C77 C78 1.586(14) .
C77 H77 0.9800 .
C74 H74A 0.9300 .
C74 H74B 0.9300 .
C78 H78A 0.9700 .
C78 H78B 0.9700 .
C76 H76A 0.9700 .
C76 H76B 0.9700 .
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_1
_geom_torsion_site_symmetry_4
P2 Au2 Au3 P5 -5.11(14) . .
S1 Au2 Au3 P5 177.90(13) . .
Au1 Au2 Au3 P5 -88.06(10) . .
P2 Au2 Au3 S1 176.99(13) . .
Au1 Au2 Au3 S1 94.04(8) . .
P2 Au2 Au3 Au5 158.50(11) . .
S1 Au2 Au3 Au5 -18.49(9) . .
Au1 Au2 Au3 Au5 75.55(5) . .
P2 Au2 Au3 Au4 -134.04(11) . .
S1 Au2 Au3 Au4 48.97(8) . .
Au1 Au2 Au3 Au4 143.010(17) . .
P5 Au3 Au4 P3 8.49(14) . .
S1 Au3 Au4 P3 176.25(12) . .
Au2 Au3 Au4 P3 125.57(9) . .
Au5 Au3 Au4 P3 -76.50(9) . .
P5 Au3 Au4 S1 -167.75(13) . .
Au2 Au3 Au4 S1 -50.68(8) . .
Au5 Au3 Au4 S1 107.25(8) . .
P5 Au3 Au4 Au6 92.31(10) . .
S1 Au3 Au4 Au6 -99.94(8) . .
Au2 Au3 Au4 Au6 -150.613(17) . .
Au5 Au3 Au4 Au6 7.311(15) . .
P4 Au6 Au4 P3 -10.07(10) . .
S2 Au6 Au4 P3 169.66(9) . .
Au5 Au6 Au4 P3 118.98(7) . .
P4 Au6 Au4 S1 175.63(9) . .
S2 Au6 Au4 S1 -4.65(8) . .
Au5 Au6 Au4 S1 -55.33(6) . .
P4 Au6 Au4 Au3 -136.59(8) . .
S2 Au6 Au4 Au3 43.13(6) . .
Au5 Au6 Au4 Au3 -7.551(15) . .
P4 Au6 Au5 P6 3.06(13) . .
S2 Au6 Au5 P6 178.09(12) . .
Au4 Au6 Au5 P6 -85.46(9) . .
P4 Au6 Au5 S2 -175.04(12) . .
Au4 Au6 Au5 S2 96.44(8) . .
P4 Au6 Au5 Au1 -121.20(9) . 2_665
S2 Au6 Au5 Au1 53.83(8) . 2_665
Au4 Au6 Au5 Au1 150.276(17) . 2_665
P4 Au6 Au5 Au3 96.07(9) . .
S2 Au6 Au5 Au3 -88.89(8) . .
Au4 Au6 Au5 Au3 7.548(15) . .
P5 Au3 Au5 P6 -14.78(11) . .
S1 Au3 Au5 P6 164.64(10) . .
Au2 Au3 Au5 P6 179.23(9) . .
Au4 Au3 Au5 P6 116.89(8) . .
P5 Au3 Au5 S2 170.47(10) . .
S1 Au3 Au5 S2 -10.11(9) . .
Au2 Au3 Au5 S2 4.48(8) . .
Au4 Au3 Au5 S2 -57.86(6) . .
P5 Au3 Au5 Au6 -139.43(8) . .
S1 Au3 Au5 Au6 39.99(6) . .
Au2 Au3 Au5 Au6 54.59(5) . .
Au4 Au3 Au5 Au6 -7.749(16) . .
P5 Au3 Au5 Au1 168.86(8) . 2_665
S1 Au3 Au5 Au1 -11.72(7) . 2_665
Au2 Au3 Au5 Au1 2.88(6) . 2_665
Au4 Au3 Au5 Au1 -59.46(3) . 2_665
P2 Au2 Au1 P1 32.79(11) . .
S1 Au2 Au1 P1 -146.68(10) . .
Au3 Au2 Au1 P1 162.69(8) . .
P2 Au2 Au1 S2 -148.77(9) . 2_665
S1 Au2 Au1 S2 31.75(9) . 2_665
Au3 Au2 Au1 S2 -18.87(6) . 2_665
P2 Au2 Au1 Au5 161.80(7) . 2_665
S1 Au2 Au1 Au5 -17.68(6) . 2_665
Au3 Au2 Au1 Au5 -68.305(18) . 2_665
P3 Au4 S1 Au2 48.3(9) . .
Au3 Au4 S1 Au2 79.04(8) . .
Au6 Au4 S1 Au2 154.55(7) . .
P3 Au4 S1 Au3 -30.8(9) . .
Au6 Au4 S1 Au3 75.51(5) . .
P2 Au2 S1 Au4 174(2) . .
Au3 Au2 S1 Au4 -81.55(8) . .
Au1 Au2 S1 Au4 -173.57(6) . .
P2 Au2 S1 Au3 -105(2) . .
Au1 Au2 S1 Au3 -92.03(5) . .
P5 Au3 S1 Au4 92.1(6) . .
Au2 Au3 S1 Au4 103.45(9) . .
Au5 Au3 S1 Au4 -84.28(6) . .
P5 Au3 S1 Au2 -11.4(7) . .
Au5 Au3 S1 Au2 172.27(4) . .
Au4 Au3 S1 Au2 -103.45(9) . .
P4 Au6 S2 Au1 3.6(15) . 2_665
Au5 Au6 S2 Au1 -80.00(7) . 2_665
Au4 Au6 S2 Au1 -172.29(6) . 2_665
P4 Au6 S2 Au5 83.6(15) . .
Au4 Au6 S2 Au5 -92.29(5) . .
P6 Au5 S2 Au1 79.0(10) . 2_665
Au6 Au5 S2 Au1 96.01(8) . 2_665
Au3 Au5 S2 Au1 -178.48(6) . 2_665
P6 Au5 S2 Au6 -17.0(10) . .
Au1 Au5 S2 Au6 -96.01(8) 2_665 .
Au3 Au5 S2 Au6 85.51(5) . .
S1 Au2 P2 C19 -159(2) . .
Au3 Au2 P2 C19 98.16(15) . .
Au1 Au2 P2 C19 -171.82(16) . .
S1 Au2 P2 C13 75(2) . .
Au3 Au2 P2 C13 -27.9(2) . .
Au1 Au2 P2 C13 62.08(17) . .
S1 Au2 P2 C73 -41(2) . .
Au3 Au2 P2 C73 -143.2(3) . .
Au1 Au2 P2 C73 -53.2(3) . .
S1 Au4 P3 C31 -148.4(8) . .
Au3 Au4 P3 C31 -176.88(12) . .
Au6 Au4 P3 C31 105.31(16) . .
S1 Au4 P3 C25 -33.0(9) . .
Au3 Au4 P3 C25 -61.48(16) . .
Au6 Au4 P3 C25 -139.28(13) . .
S1 Au4 P3 C75 87.3(10) . .
Au3 Au4 P3 C75 58.9(4) . .
Au6 Au4 P3 C75 -18.9(4) . .
S2 Au6 P4 C43 -15.6(16) . .
Au5 Au6 P4 C43 64.9(2) . .
Au4 Au6 P4 C43 160.38(17) . .
S2 Au6 P4 C37 101.6(14) . .
Au5 Au6 P4 C37 -177.94(10) . .
Au4 Au6 P4 C37 -82.43(14) . .
S2 Au6 P4 C75 -137.3(14) . .
Au5 Au6 P4 C75 -56.9(4) . .
Au4 Au6 P4 C75 38.6(3) . .
S1 Au3 P5 C49 -17.7(7) . .
Au2 Au3 P5 C49 -27.82(19) . .
Au5 Au3 P5 C49 158.79(15) . .
Au4 Au3 P5 C49 66.10(17) . .
S1 Au3 P5 C55 104.0(6) . .
Au2 Au3 P5 C55 93.83(16) . .
Au5 Au3 P5 C55 -79.56(15) . .
Au4 Au3 P5 C55 -172.24(10) . .
S1 Au3 P5 C77 -134.4(7) . .
Au2 Au3 P5 C77 -144.5(4) . .
Au5 Au3 P5 C77 42.1(4) . .
Au4 Au3 P5 C77 -50.6(4) . .
S2 Au5 P6 C67 -25.5(11) . .
Au6 Au5 P6 C67 -41.37(19) . .
Au1 Au5 P6 C67 49.1(2) 2_665 .
Au3 Au5 P6 C67 -127.52(15) . .
S2 Au5 P6 C61 -147.7(9) . .
Au6 Au5 P6 C61 -163.52(11) . .
Au1 Au5 P6 C61 -73.07(18) 2_665 .
Au3 Au5 P6 C61 110.33(15) . .
S2 Au5 P6 C77 90.4(11) . .
Au6 Au5 P6 C77 74.6(4) . .
Au1 Au5 P6 C77 165.0(3) 2_665 .
Au3 Au5 P6 C77 -11.6(4) . .
S2 Au1 P1 C7 -33(2) 2_665 .
Au5 Au1 P1 C7 4.4(2) 2_665 .
Au2 Au1 P1 C7 106.94(17) . .
S2 Au1 P1 C1 90(2) 2_665 .
Au5 Au1 P1 C1 127.20(16) 2_665 .
Au2 Au1 P1 C1 -130.25(19) . .
S2 Au1 P1 C73 -149(2) 2_665 .
Au5 Au1 P1 C73 -112.4(4) 2_665 .
Au2 Au1 P1 C73 -9.8(4) . .
C7 P1 C1 C2 128.42(14) . .
C73 P1 C1 C2 -121.5(3) . .
Au1 P1 C1 C2 3.3(2) . .
C7 P1 C1 C6 -58.6(2) . .
C73 P1 C1 C6 51.5(4) . .
Au1 P1 C1 C6 176.34(8) . .
C6 C1 C2 C3 0.0 . .
P1 C1 C2 C3 173.09(15) . .
C1 C2 C3 C4 0.0 . .
C2 C3 C4 C5 0.0 . .
C3 C4 C5 C6 0.0 . .
C4 C5 C6 C1 0.0 . .
C2 C1 C6 C5 0.0 . .
P1 C1 C6 C5 -172.89(16) . .
C1 P1 C7 C12 179.35(11) . .
C73 P1 C7 C12 68.3(3) . .
Au1 P1 C7 C12 -54.13(18) . .
C1 P1 C7 C8 -7.7(3) . .
C73 P1 C7 C8 -118.8(3) . .
Au1 P1 C7 C8 118.78(11) . .
C12 C7 C8 C9 -2.4 . .
P1 C7 C8 C9 -175.03(15) . .
C7 C8 C9 C10 2.4 . .
C8 C9 C10 C11 -4.3 . .
C9 C10 C11 C12 6.0 . .
C8 C7 C12 C11 4.1 . .
P1 C7 C12 C11 177.13(15) . .
C10 C11 C12 C7 -6.2 . .
C19 P2 C13 C14 -120.14(12) . .
C73 P2 C13 C14 128.3(3) . .
Au2 P2 C13 C14 9.3(2) . .
C19 P2 C13 C18 55.98(19) . .
C73 P2 C13 C18 -55.6(4) . .
Au2 P2 C13 C18 -174.57(8) . .
C18 C13 C14 C15 6.9 . .
P2 C13 C14 C15 -176.92(15) . .
C13 C14 C15 C16 -7.0 . .
C14 C15 C16 C17 6.4 . .
C15 C16 C17 C18 -5.9 . .
C16 C17 C18 C13 5.8 . .
C14 C13 C18 C17 -6.4 . .
P2 C13 C18 C17 177.54(15) . .
C13 P2 C19 C24 -173.05(8) . .
C73 P2 C19 C24 -63.2(3) . .
Au2 P2 C19 C24 57.66(17) . .
C13 P2 C19 C20 13.1(2) . .
C73 P2 C19 C20 122.9(3) . .
Au2 P2 C19 C20 -116.19(12) . .
C24 C19 C20 C21 1.8 . .
P2 C19 C20 C21 175.80(12) . .
C19 C20 C21 C22 0.5 . .
C20 C21 C22 C23 -1.4 . .
C21 C22 C23 C24 0.1 . .
C22 C23 C24 C19 2.2 . .
C20 C19 C24 C23 -3.1 . .
P2 C19 C24 C23 -177.09(12) . .
C31 P3 C25 C30 102.62(13) . .
C75 P3 C25 C30 -146.9(3) . .
Au4 P3 C25 C30 -23.01(15) . .
C31 P3 C25 C26 -70.70(17) . .
C75 P3 C25 C26 39.8(4) . .
Au4 P3 C25 C26 163.67(6) . .
C30 C25 C26 C27 -4.6 . .
P3 C25 C26 C27 168.57(12) . .
C25 C26 C27 C28 6.6 . .
C26 C27 C28 C29 -7.3 . .
C27 C28 C29 C30 6.2 . .
C26 C25 C30 C29 3.2 . .
P3 C25 C30 C29 -170.42(11) . .
C28 C29 C30 C25 -4.0 . .
C25 P3 C31 C32 59.90(17) . .
C75 P3 C31 C32 -51.6(4) . .
Au4 P3 C31 C32 -179.27(7) . .
C25 P3 C31 C36 -118.37(13) . .
C75 P3 C31 C36 130.2(4) . .
Au4 P3 C31 C36 2.46(19) . .
C36 C31 C32 C33 1.8 . .
P3 C31 C32 C33 -176.47(13) . .
C31 C32 C33 C34 -0.4 . .
C32 C33 C34 C35 0.3 . .
C33 C34 C35 C36 -1.5 . .
C34 C35 C36 C31 2.9 . .
C32 C31 C36 C35 -2.9 . .
P3 C31 C36 C35 175.39(12) . .
C43 P4 C37 C38 -54.7(2) . .
C75 P4 C37 C38 57.1(4) . .
Au6 P4 C37 C38 -176.51(6) . .
C43 P4 C37 C42 124.14(14) . .
C75 P4 C37 C42 -124.0(3) . .
Au6 P4 C37 C42 2.32(17) . .
C42 C37 C38 C39 1.7 . .
P4 C37 C38 C39 -179.53(12) . .
C37 C38 C39 C40 -2.3 . .
C38 C39 C40 C41 1.1 . .
C39 C40 C41 C42 0.8 . .
C40 C41 C42 C37 -1.4 . .
C38 C37 C42 C41 0.2 . .
P4 C37 C42 C41 -178.65(12) . .
C37 P4 C43 C44 81.5(2) . .
C75 P4 C43 C44 -29.4(4) . .
Au6 P4 C43 C44 -155.88(8) . .
C37 P4 C43 C48 -90.72(16) . .
C75 P4 C43 C48 158.3(3) . .
Au6 P4 C43 C48 31.86(18) . .
C48 C43 C44 C45 1.2 . .
P4 C43 C44 C45 -170.94(13) . .
C43 C44 C45 C46 -1.4 . .
C44 C45 C46 C47 -0.5 . .
C45 C46 C47 C48 2.5 . .
C46 C47 C48 C43 -2.6 . .
C44 C43 C48 C47 0.8 . .
P4 C43 C48 C47 173.54(12) . .
C55 P5 C49 C50 -154.68(9) . .
C77 P5 C49 C50 93.9(3) . .
Au3 P5 C49 C50 -29.77(18) . .
C55 P5 C49 C54 23.8(2) . .
C77 P5 C49 C54 -87.5(3) . .
Au3 P5 C49 C54 148.74(7) . .
C54 C49 C50 C51 2.6 . .
P5 C49 C50 C51 -178.80(13) . .
C49 C50 C51 C52 -3.6 . .
C50 C51 C52 C53 1.7 . .
C51 C52 C53 C54 0.9 . .
C52 C53 C54 C49 -1.7 . .
C50 C49 C54 C53 -0.1 . .
P5 C49 C54 C53 -178.61(13) . .
C49 P5 C55 C56 -62.16(19) . .
C77 P5 C55 C56 48.7(4) . .
Au3 P5 C55 C56 176.01(6) . .
C49 P5 C55 C60 122.47(13) . .
C77 P5 C55 C60 -126.7(4) . .
Au3 P5 C55 C60 0.63(17) . .
C60 C55 C56 C57 -5.2 . .
P5 C55 C56 C57 179.47(13) . .
C55 C56 C57 C58 3.4 . .
C56 C57 C58 C59 0.6 . .
C57 C58 C59 C60 -2.5 . .
C58 C59 C60 C55 0.6 . .
C56 C55 C60 C59 3.1 . .
P5 C55 C60 C59 178.94(12) . .
C67 P6 C61 C66 -119.47(15) . .
C77 P6 C61 C66 128.9(3) . .
Au5 P6 C61 C66 6.80(18) . .
C67 P6 C61 C62 56.7(2) . .
C77 P6 C61 C62 -55.0(4) . .
Au5 P6 C61 C62 -177.06(6) . .
C66 C61 C62 C63 -0.1 . .
P6 C61 C62 C63 -176.35(13) . .
C61 C62 C63 C64 2.5 . .
C62 C63 C64 C65 -4.5 . .
C63 C64 C65 C66 3.9 . .
C62 C61 C66 C65 -0.4 . .
P6 C61 C66 C65 176.01(12) . .
C64 C65 C66 C61 -1.4 . .
C61 P6 C67 C72 119.90(14) . .
C77 P6 C67 C72 -125.5(3) . .
Au5 P6 C67 C72 -6.94(18) . .
C61 P6 C67 C68 -61.4(2) . .
C77 P6 C67 C68 53.2(3) . .
Au5 P6 C67 C68 171.79(7) . .
C72 C67 C68 C69 0.3 . .
P6 C67 C68 C69 -178.45(13) . .
C67 C68 C69 C70 0.2 . .
C68 C69 C70 C71 -1.5 . .
C69 C70 C71 C72 2.3 . .
C68 C67 C72 C71 0.5 . .
P6 C67 C72 C71 179.28(12) . .
C70 C71 C72 C67 -1.8 . .
C19 P2 C73 C74 8.0(10) . .
C13 P2 C73 C74 121.4(9) . .
Au2 P2 C73 C74 -116.2(9) . .
C19 P2 C73 P1 -173.5(4) . .
C13 P2 C73 P1 -60.1(5) . .
Au2 P2 C73 P1 62.3(5) . .
C7 P1 C73 C74 31.9(9) . .
C1 P1 C73 C74 -81.0(9) . .
Au1 P1 C73 C74 153.4(8) . .
C7 P1 C73 P2 -146.7(4) . .
C1 P1 C73 P2 100.4(5) . .
Au1 P1 C73 P2 -25.1(6) . .
C31 P3 C75 C76 154.5(7) . .
C25 P3 C75 C76 47.6(8) . .
Au4 P3 C75 C76 -75.0(8) . .
C31 P3 C75 P4 -81.9(5) . .
C25 P3 C75 P4 171.2(4) . .
Au4 P3 C75 P4 48.6(5) . .
C43 P4 C75 C76 -63.4(7) . .
C37 P4 C75 C76 -173.4(6) . .
Au6 P4 C75 C76 61.3(8) . .
C43 P4 C75 P3 172.3(4) . .
C37 P4 C75 P3 62.3(5) . .
Au6 P4 C75 P3 -63.0(5) . .
C49 P5 C77 C78 -59.9(7) . .
C55 P5 C77 C78 -174.0(6) . .
Au3 P5 C77 C78 59.6(8) . .
C49 P5 C77 P6 176.5(4) . .
C55 P5 C77 P6 62.4(5) . .
Au3 P5 C77 P6 -64.1(5) . .
C67 P6 C77 C78 40.5(7) . .
C61 P6 C77 C78 153.2(6) . .
Au5 P6 C77 C78 -81.3(7) . .
C67 P6 C77 P5 164.1(4) . .
C61 P6 C77 P5 -83.2(5) . .
Au5 P6 C77 P5 42.3(5) . .
P5 C77 C78 S3 -63.0(9) . .
P6 C77 C78 S3 60.6(8) . .
C76 S3 C78 C77 -155.3(8) . .
P3 C75 C76 S3 52.3(10) . .
P4 C75 C76 S3 -69.9(8) . .
C78 S3 C76 C75 -169.6(8) . .
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 0.187 0.000 0.500 1135 198 ' '
2 0.211 0.637 0.096 9 2 ' '
3 0.274 0.663 0.856 10 1 ' '
4 0.483 0.579 0.711 30 4 ' '
5 0.516 0.421 0.289 30 4 ' '
6 0.726 0.337 0.144 10 1 ' '
7 0.789 0.363 0.903 9 2 ' '
