#------------------------------------------------------------------------------
#$Date: 2025-08-22 00:26:11 +0300 (Fri, 22 Aug 2025) $
#$Revision: 301853 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/10/63/7106392.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_7106392
loop_
_publ_author_name
'Igor O. Koshevoy'
'Chia-Li Lin'
'Antti J. Karttunen'
'Matti Haukka'
'Chun-Wei Shih'
'Pi-Tai Chou'
'Sergey P. Tunik'
'Tapani A. Pakkanen'
_publ_section_title
;
 Octanuclear gold(I) alkynyl-diphosphine clusters showing thermochromic
 luminescence
;
_journal_name_full               Chem.Commun.
_journal_page_first              5533
_journal_paper_doi               10.1039/c1cc11352f
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C88 H94 Au8 P4, 2(Cl O4)'
_chemical_formula_sum            'C88 H94 Au8 Cl2 O8 P4'
_chemical_formula_weight         3050.14
_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                106.781(3)
_cell_angle_beta                 95.591(3)
_cell_angle_gamma                111.261(2)
_cell_formula_units_Z            2
_cell_length_a                   13.0014(7)
_cell_length_b                   17.4798(10)
_cell_length_c                   23.2057(19)
_cell_measurement_reflns_used    9229
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.48
_cell_volume                     4583.2(5)
_computing_cell_refinement       'SAINT (Bruker AXS, 2009)'
_computing_data_collection       'APEX2 (Bruker AXS, 2010)'
_computing_data_reduction        'SAINT (Bruker AXS, 2009)'
_computing_molecular_graphics    'Diamond v.3.2e (Brandenburg, 2010)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device       '62mm x 62mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  'Bruker KAPPA APEX II DUO CCD'
_diffrn_measurement_method       'φ scans and ω scans with κ offset'
_diffrn_radiation_monochromator  'curved graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0342
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            62956
_diffrn_reflns_theta_full        26.75
_diffrn_reflns_theta_max         26.75
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    12.931
_exptl_absorpt_correction_T_max  0.4097
_exptl_absorpt_correction_T_min  0.1666
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.210
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2824
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.482
_refine_diff_density_min         -1.160
_refine_diff_density_rms         0.207
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1054
_refine_ls_number_reflns         19414
_refine_ls_number_restraints     48
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0517
_refine_ls_R_factor_gt           0.0344
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0369P)²+45.0860P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0778
_refine_ls_wR_factor_ref         0.0871
_reflns_number_gt                15587
_reflns_number_total             19414
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc11352f.txt
_cod_data_source_block           3
_cod_database_code               7106392
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.05459(3) 0.93264(2) 0.331882(15) 0.02799(7) Uani 1 1 d . . .
Au2 Au 0.22255(3) 0.808702(19) 0.117291(14) 0.02356(7) Uani 1 1 d . . .
Au3 Au 0.15465(2) 0.914124(18) 0.216645(14) 0.02131(7) Uani 1 1 d . . .
Au4 Au 0.18449(3) 1.096163(18) 0.276843(14) 0.02322(7) Uani 1 1 d . . .
Au5 Au 0.37310(3) 1.266118(19) 0.348579(15) 0.02585(7) Uani 1 1 d . . .
Au6 Au 0.41078(3) 1.073084(19) 0.313123(15) 0.02601(7) Uani 1 1 d . . .
Au7 Au 0.28940(3) 1.031643(19) 0.147460(15) 0.02512(7) Uani 1 1 d . . .
Au8 Au -0.02777(3) 0.998850(19) 0.177969(14) 0.02445(7) Uani 1 1 d . . .
P1 P 0.03060(18) 0.79531(14) 0.32558(10) 0.0268(4) Uani 1 1 d . . .
P2 P 0.14149(18) 0.68831(13) 0.14389(10) 0.0255(4) Uani 1 1 d . . .
P3 P -0.04275(17) 1.12526(13) 0.18222(10) 0.0245(4) Uani 1 1 d . . .
P4 P 0.24854(17) 1.33033(13) 0.35159(10) 0.0254(4) Uani 1 1 d . . .
C1 C -0.1153(7) 0.7208(6) 0.3149(4) 0.0300(18) Uani 1 1 d . . .
C2 C -0.1911(9) 0.7527(7) 0.3400(5) 0.049(3) Uani 1 1 d . . .
H2 H -0.1647 0.8129 0.3645 0.059 Uiso 1 1 calc R . .
C3 C -0.3041(9) 0.6979(7) 0.3297(6) 0.059(3) Uani 1 1 d . . .
H3 H -0.3547 0.7206 0.3471 0.070 Uiso 1 1 calc R . .
C4 C -0.3430(9) 0.6117(7) 0.2950(5) 0.052(3) Uani 1 1 d . . .
H4 H -0.4213 0.5748 0.2867 0.062 Uiso 1 1 calc R . .
C5 C -0.2702(9) 0.5780(7) 0.2720(6) 0.054(3) Uani 1 1 d . . .
H5 H -0.2972 0.5170 0.2496 0.065 Uiso 1 1 calc R . .
C6 C -0.1558(8) 0.6322(6) 0.2809(5) 0.046(2) Uani 1 1 d . . .
H6 H -0.1061 0.6084 0.2636 0.056 Uiso 1 1 calc R . .
C7 C 0.1215(7) 0.7921(5) 0.3873(4) 0.0289(18) Uani 1 1 d . . .
C8 C 0.1154(8) 0.7134(6) 0.3935(4) 0.036(2) Uani 1 1 d . . .
H8 H 0.0575 0.6593 0.3665 0.043 Uiso 1 1 calc R . .
C9 C 0.1940(9) 0.7143(7) 0.4391(5) 0.048(3) Uani 1 1 d . . .
H9 H 0.1864 0.6610 0.4448 0.057 Uiso 1 1 calc R . .
C10 C 0.2819(9) 0.7908(8) 0.4759(5) 0.052(3) Uani 1 1 d . . .
H10 H 0.3367 0.7899 0.5057 0.063 Uiso 1 1 calc R . .
C11 C 0.2917(9) 0.8694(7) 0.4700(5) 0.051(3) Uani 1 1 d . . .
H11 H 0.3528 0.9225 0.4959 0.061 Uiso 1 1 calc R . .
C12 C 0.2106(8) 0.8707(6) 0.4254(4) 0.040(2) Uani 1 1 d . . .
H12 H 0.2165 0.9246 0.4214 0.048 Uiso 1 1 calc R . .
C13 C 0.0717(7) 0.7440(5) 0.2604(4) 0.0294(18) Uani 1 1 d . . .
C14 C 0.0997(7) 0.7165(5) 0.2150(4) 0.0303(19) Uani 1 1 d . . .
C15 C 0.2314(7) 0.6324(5) 0.1533(4) 0.0297(18) Uani 1 1 d . . .
C16 C 0.3340(8) 0.6554(6) 0.1358(5) 0.042(2) Uani 1 1 d . . .
H16 H 0.3587 0.7024 0.1206 0.050 Uiso 1 1 calc R . .
C17 C 0.4000(10) 0.6107(7) 0.1405(6) 0.057(3) Uani 1 1 d . . .
H17 H 0.4700 0.6266 0.1281 0.068 Uiso 1 1 calc R . .
C18 C 0.3651(11) 0.5430(8) 0.1629(5) 0.058(3) Uani 1 1 d . . .
H18 H 0.4114 0.5124 0.1663 0.069 Uiso 1 1 calc R . .
C19 C 0.2646(12) 0.5196(8) 0.1803(5) 0.060(3) Uani 1 1 d . . .
H19 H 0.2408 0.4722 0.1953 0.072 Uiso 1 1 calc R . .
C20 C 0.1964(10) 0.5639(7) 0.1765(5) 0.048(3) Uani 1 1 d . . .
H20 H 0.1269 0.5480 0.1894 0.058 Uiso 1 1 calc R . .
C21 C 0.0070(8) 0.6087(5) 0.0945(4) 0.0311(19) Uani 1 1 d . . .
C22 C -0.0204(9) 0.6053(6) 0.0350(4) 0.038(2) Uani 1 1 d . . .
H22 H 0.0330 0.6429 0.0193 0.046 Uiso 1 1 calc R . .
C23 C -0.1275(9) 0.5461(6) -0.0027(5) 0.044(2) Uani 1 1 d . . .
H23 H -0.1466 0.5434 -0.0440 0.053 Uiso 1 1 calc R . .
C24 C -0.2038(10) 0.4927(7) 0.0200(5) 0.053(3) Uani 1 1 d . . .
H24 H -0.2768 0.4533 -0.0053 0.063 Uiso 1 1 calc R . .
C25 C -0.1758(10) 0.4954(8) 0.0798(6) 0.066(3) Uani 1 1 d . . .
H25 H -0.2289 0.4574 0.0954 0.079 Uiso 1 1 calc R . .
C26 C -0.0720(10) 0.5527(7) 0.1164(5) 0.053(3) Uani 1 1 d . . .
H26 H -0.0533 0.5545 0.1575 0.064 Uiso 1 1 calc R . .
C27 C -0.1794(7) 1.1233(5) 0.1933(4) 0.0263(17) Uani 1 1 d . . .
C28 C -0.1913(8) 1.1956(7) 0.2281(5) 0.051(3) Uani 1 1 d . . .
H28 H -0.1269 1.2494 0.2480 0.061 Uiso 1 1 calc R . .
C29 C -0.2986(9) 1.1897(8) 0.2343(5) 0.064(4) Uani 1 1 d . . .
H29 H -0.3072 1.2399 0.2589 0.077 Uiso 1 1 calc R . .
C30 C -0.3924(8) 1.1127(7) 0.2056(5) 0.043(2) Uani 1 1 d . . .
H30 H -0.4652 1.1095 0.2107 0.052 Uiso 1 1 calc R . .
C31 C -0.3812(8) 1.0423(7) 0.1705(6) 0.051(3) Uani 1 1 d . . .
H31 H -0.4466 0.9898 0.1489 0.061 Uiso 1 1 calc R . .
C32 C -0.2743(8) 1.0451(6) 0.1651(5) 0.048(3) Uani 1 1 d . . .
H32 H -0.2665 0.9937 0.1422 0.057 Uiso 1 1 calc R . .
C33 C -0.0173(7) 1.1536(6) 0.1141(4) 0.0281(18) Uani 1 1 d . . .
C34 C 0.0308(9) 1.2398(7) 0.1169(5) 0.044(2) Uani 1 1 d . . .
H34 H 0.0537 1.2860 0.1556 0.053 Uiso 1 1 calc R . .
C35 C 0.0457(10) 1.2589(7) 0.0638(5) 0.051(3) Uani 1 1 d . . .
H35 H 0.0799 1.3182 0.0663 0.062 Uiso 1 1 calc R . .
C36 C 0.0112(9) 1.1923(8) 0.0071(5) 0.048(3) Uani 1 1 d . . .
H36 H 0.0189 1.2058 -0.0296 0.058 Uiso 1 1 calc R . .
C37 C -0.0340(9) 1.1074(8) 0.0040(4) 0.047(3) Uani 1 1 d . . .
H37 H -0.0556 1.0618 -0.0348 0.056 Uiso 1 1 calc R . .
C38 C -0.0490(8) 1.0864(6) 0.0568(4) 0.036(2) Uani 1 1 d . . .
H38 H -0.0807 1.0269 0.0540 0.043 Uiso 1 1 calc R . .
C39 C 0.0589(8) 1.2181(6) 0.2464(4) 0.0281(18) Uani 1 1 d . . .
C40 C 0.1282(7) 1.2685(5) 0.2866(4) 0.0251(17) Uani 1 1 d . . .
C41 C 0.3054(7) 1.4421(5) 0.3519(4) 0.0275(17) Uani 1 1 d . . .
C42 C 0.2403(8) 1.4757(6) 0.3258(5) 0.040(2) Uani 1 1 d . . .
H42 H 0.1664 1.4381 0.3011 0.047 Uiso 1 1 calc R . .
C43 C 0.2833(10) 1.5647(6) 0.3359(5) 0.048(3) Uani 1 1 d . . .
H43 H 0.2381 1.5882 0.3184 0.057 Uiso 1 1 calc R . .
C44 C 0.3903(8) 1.6191(6) 0.3707(5) 0.042(2) Uani 1 1 d . . .
H44 H 0.4193 1.6799 0.3769 0.050 Uiso 1 1 calc R . .
C45 C 0.4551(8) 1.5864(6) 0.3964(5) 0.041(2) Uani 1 1 d . . .
H45 H 0.5288 1.6248 0.4212 0.049 Uiso 1 1 calc R . .
C46 C 0.4149(7) 1.4972(5) 0.3869(4) 0.0310(19) Uani 1 1 d . . .
H46 H 0.4613 1.4744 0.4041 0.037 Uiso 1 1 calc R . .
C47 C 0.1888(7) 1.3394(5) 0.4192(4) 0.0306(18) Uani 1 1 d . . .
C48 C 0.1007(8) 1.3669(6) 0.4236(5) 0.039(2) Uani 1 1 d . . .
H48 H 0.0669 1.3761 0.3895 0.047 Uiso 1 1 calc R . .
C49 C 0.0626(9) 1.3808(7) 0.4780(5) 0.050(3) Uani 1 1 d . . .
H49 H 0.0023 1.3991 0.4810 0.059 Uiso 1 1 calc R . .
C50 C 0.1110(9) 1.3683(7) 0.5265(5) 0.056(3) Uani 1 1 d . . .
H50 H 0.0846 1.3785 0.5635 0.067 Uiso 1 1 calc R . .
C51 C 0.1974(10) 1.3413(7) 0.5235(5) 0.054(3) Uani 1 1 d . . .
H51 H 0.2305 1.3336 0.5585 0.065 Uiso 1 1 calc R . .
C52 C 0.2377(8) 1.3248(6) 0.4690(4) 0.037(2) Uani 1 1 d . . .
H52 H 0.2962 1.3045 0.4662 0.044 Uiso 1 1 calc R . .
C53 C 0.2988(7) 0.9261(5) 0.0911(4) 0.0279(18) Uani 1 1 d . . .
C54 C 0.3102(7) 0.8683(6) 0.0514(4) 0.0320(19) Uani 1 1 d . . .
C55 C 0.3401(8) 0.8194(6) -0.0048(4) 0.035(2) Uani 1 1 d U . .
C56 C 0.3490(14) 0.8701(10) -0.0483(7) 0.089(4) Uani 1 1 d U . .
H56A H 0.2840 0.8857 -0.0514 0.133 Uiso 1 1 calc R . .
H56B H 0.3495 0.8338 -0.0892 0.133 Uiso 1 1 calc R . .
H56C H 0.4193 0.9235 -0.0324 0.133 Uiso 1 1 calc R . .
C57 C 0.2451(14) 0.7339(11) -0.0401(8) 0.111(6) Uani 1 1 d U . .
H57A H 0.2336 0.6955 -0.0156 0.166 Uiso 1 1 calc R . .
H57B H 0.2628 0.7067 -0.0788 0.166 Uiso 1 1 calc R . .
H57C H 0.1759 0.7427 -0.0492 0.166 Uiso 1 1 calc R . .
C58 C 0.4422(14) 0.8072(13) 0.0137(8) 0.106(5) Uani 1 1 d U . .
H58A H 0.5036 0.8642 0.0380 0.159 Uiso 1 1 calc R . .
H58B H 0.4644 0.7798 -0.0233 0.159 Uiso 1 1 calc R . .
H58C H 0.4268 0.7695 0.0387 0.159 Uiso 1 1 calc R . .
C59 C 0.2660(7) 1.1366(5) 0.2162(4) 0.0286(18) Uani 1 1 d . . .
C60 C 0.3140(7) 1.1722(5) 0.1811(4) 0.0307(18) Uani 1 1 d . . .
C61 C 0.3717(8) 1.2380(5) 0.1530(4) 0.033(2) Uani 1 1 d . . .
C62 C 0.3568(9) 1.3222(6) 0.1876(5) 0.045(3) Uani 1 1 d . . .
H62A H 0.2758 1.3092 0.1830 0.068 Uiso 1 1 calc R . .
H62B H 0.3922 1.3676 0.1703 0.068 Uiso 1 1 calc R . .
H62C H 0.3928 1.3431 0.2316 0.068 Uiso 1 1 calc R . .
C63 C 0.3168(9) 1.2027(7) 0.0833(5) 0.046(2) Uani 1 1 d . . .
H63A H 0.3270 1.1493 0.0629 0.068 Uiso 1 1 calc R . .
H63B H 0.3528 1.2470 0.0652 0.068 Uiso 1 1 calc R . .
H63C H 0.2357 1.1894 0.0777 0.068 Uiso 1 1 calc R . .
C64 C 0.4980(8) 1.2582(7) 0.1626(5) 0.046(2) Uani 1 1 d . . .
H64A H 0.5323 1.2821 0.2069 0.070 Uiso 1 1 calc R . .
H64B H 0.5347 1.3013 0.1436 0.070 Uiso 1 1 calc R . .
H64C H 0.5079 1.2043 0.1434 0.070 Uiso 1 1 calc R . .
C65 C 0.0882(7) 1.0666(5) 0.3365(4) 0.0318(19) Uani 1 1 d . . .
C66 C 0.0201(8) 1.0563(6) 0.3687(5) 0.041(2) Uani 1 1 d . . .
C67 C -0.0554(10) 1.0687(7) 0.4105(6) 0.060(3) Uani 1 1 d U . .
C68 C -0.0950(14) 1.1351(11) 0.4003(9) 0.102(5) Uani 1 1 d U . .
H68A H -0.0294 1.1898 0.4073 0.153 Uiso 1 1 calc R . .
H68B H -0.1425 1.1462 0.4292 0.153 Uiso 1 1 calc R . .
H68C H -0.1392 1.1129 0.3578 0.153 Uiso 1 1 calc R . .
C69 C 0.0155(15) 1.1070(12) 0.4769(8) 0.116(6) Uani 1 1 d U . .
H69A H 0.0462 1.0662 0.4842 0.175 Uiso 1 1 calc R . .
H69B H -0.0324 1.1163 0.5060 0.175 Uiso 1 1 calc R . .
H69C H 0.0780 1.1631 0.4831 0.175 Uiso 1 1 calc R . .
C70 C -0.1534(11) 0.9857(8) 0.4045(7) 0.074(4) Uani 1 1 d U . .
H70A H -0.1957 0.9560 0.3613 0.111 Uiso 1 1 calc R . .
H70B H -0.2036 0.9998 0.4306 0.111 Uiso 1 1 calc R . .
H70C H -0.1250 0.9472 0.4176 0.111 Uiso 1 1 calc R . .
C71 C -0.0040(7) 0.8788(5) 0.1721(4) 0.0257(17) Uani 1 1 d . . .
C72 C -0.1057(7) 0.8494(5) 0.1520(4) 0.0284(18) Uani 1 1 d . . .
C73 C -0.2283(7) 0.7909(5) 0.1291(4) 0.034(2) Uani 1 1 d . . .
C74 C -0.2392(9) 0.6980(6) 0.1195(7) 0.064(4) Uani 1 1 d . . .
H74A H -0.1968 0.6819 0.0889 0.096 Uiso 1 1 calc R . .
H74B H -0.3192 0.6572 0.1047 0.096 Uiso 1 1 calc R . .
H74C H -0.2085 0.6952 0.1587 0.096 Uiso 1 1 calc R . .
C75 C -0.2736(9) 0.7984(8) 0.0679(5) 0.058(3) Uani 1 1 d . . .
H75A H -0.2693 0.8577 0.0756 0.087 Uiso 1 1 calc R . .
H75B H -0.3525 0.7559 0.0508 0.087 Uiso 1 1 calc R . .
H75C H -0.2275 0.7863 0.0383 0.087 Uiso 1 1 calc R . .
C76 C -0.2924(9) 0.8173(7) 0.1772(5) 0.052(3) Uani 1 1 d . . .
H76A H -0.2644 0.8111 0.2156 0.078 Uiso 1 1 calc R . .
H76B H -0.3734 0.7794 0.1618 0.078 Uiso 1 1 calc R . .
H76C H -0.2806 0.8784 0.1851 0.078 Uiso 1 1 calc R . .
C77 C 0.4923(7) 1.2018(5) 0.3483(4) 0.0288(18) Uani 1 1 d . . .
C78 C 0.5556(7) 1.2805(6) 0.3703(4) 0.0286(18) Uani 1 1 d . . .
C79 C 0.6540(7) 1.3678(5) 0.3995(4) 0.0325(19) Uani 1 1 d . . .
C80 C 0.6603(8) 1.4213(6) 0.3563(4) 0.035(2) Uani 1 1 d . . .
H80A H 0.6677 1.3887 0.3160 0.053 Uiso 1 1 calc R . .
H80B H 0.7262 1.4777 0.3744 0.053 Uiso 1 1 calc R . .
H80C H 0.5911 1.4313 0.3512 0.053 Uiso 1 1 calc R . .
C81 C 0.6404(8) 1.4158(6) 0.4626(4) 0.040(2) Uani 1 1 d . . .
H81A H 0.5666 1.4191 0.4582 0.061 Uiso 1 1 calc R . .
H81B H 0.7008 1.4751 0.4797 0.061 Uiso 1 1 calc R . .
H81C H 0.6452 1.3839 0.4906 0.061 Uiso 1 1 calc R . .
C82 C 0.7624(7) 1.3512(6) 0.4065(5) 0.039(2) Uani 1 1 d . . .
H82A H 0.7579 1.3158 0.4329 0.058 Uiso 1 1 calc R . .
H82B H 0.8285 1.4074 0.4254 0.058 Uiso 1 1 calc R . .
H82C H 0.7698 1.3200 0.3658 0.058 Uiso 1 1 calc R . .
C83 C 0.3028(7) 0.9340(5) 0.2652(4) 0.0260(17) Uani 1 1 d . . .
C84 C 0.3877(7) 0.9345(5) 0.2939(4) 0.0282(18) Uani 1 1 d . . .
C85 C 0.4739(8) 0.9076(6) 0.3187(4) 0.034(2) Uani 1 1 d . . .
C86 C 0.5569(9) 0.9089(8) 0.2773(5) 0.051(3) Uani 1 1 d . . .
H86A H 0.5155 0.8724 0.2346 0.076 Uiso 1 1 calc R . .
H86B H 0.6096 0.8861 0.2910 0.076 Uiso 1 1 calc R . .
H86C H 0.5993 0.9692 0.2795 0.076 Uiso 1 1 calc R . .
C87 C 0.4107(9) 0.8131(6) 0.3168(5) 0.046(2) Uani 1 1 d . . .
H87A H 0.3564 0.8118 0.3434 0.069 Uiso 1 1 calc R . .
H87B H 0.4653 0.7925 0.3315 0.069 Uiso 1 1 calc R . .
H87C H 0.3701 0.7750 0.2743 0.069 Uiso 1 1 calc R . .
C88 C 0.5332(8) 0.9676(6) 0.3849(4) 0.040(2) Uani 1 1 d . . .
H88A H 0.5764 1.0271 0.3858 0.060 Uiso 1 1 calc R . .
H88B H 0.5847 0.9462 0.4019 0.060 Uiso 1 1 calc R . .
H88C H 0.4766 0.9682 0.4099 0.060 Uiso 1 1 calc R . .
Cl1 Cl -0.3667(4) 0.8551(3) 0.5007(2) 0.0292(8) Uani 0.50 1 d P . .
O1 O -0.4201(10) 0.7811(7) 0.5126(5) 0.031(3) Uani 0.50 1 d P . .
O2 O -0.3654(16) 0.8290(11) 0.4378(8) 0.070(5) Uani 0.50 1 d P . .
O3 O -0.277(3) 0.8948(15) 0.5352(12) 0.118(9) Uani 0.50 1 d P . .
O4 O -0.4277(16) 0.9066(11) 0.5122(9) 0.072(5) Uani 0.50 1 d P . .
Cl2 Cl -0.0631(2) 1.43993(18) 0.25425(15) 0.0555(7) Uani 1 1 d . . .
O5 O -0.1747(7) 1.4198(6) 0.2254(5) 0.081(3) Uani 1 1 d . . .
O6 O -0.0140(8) 1.3903(6) 0.2129(5) 0.082(3) Uani 1 1 d . . .
O7 O 0.0087(7) 1.5297(5) 0.2674(4) 0.062(2) Uani 1 1 d . . .
O8 O -0.0646(9) 1.4193(8) 0.3062(5) 0.099(3) Uani 1 1 d . . .
Cl3 Cl 0.4870(5) 0.4321(4) 0.0466(3) 0.0666(18) Uani 0.50 1 d P . .
O9 O 0.3737(15) 0.4004(9) 0.0437(8) 0.067(5) Uani 0.50 1 d P . .
O10 O 0.5158(12) 0.3859(10) -0.0019(9) 0.071(5) Uani 0.50 1 d P . .
O11 O 0.524(3) 0.5172(17) 0.0400(19) 0.23(3) Uani 0.50 1 d P . .
O12 O 0.5451(17) 0.4485(16) 0.0968(11) 0.091(7) Uani 0.50 1 d P . .
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'
O O 0.0106 0.0060 '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'
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
_geom_angle_publ_flag
C65 Au1 P1 176.4(2) . . ?
C65 Au1 C66 31.1(3) . . ?
P1 Au1 C66 152.2(3) . . ?
C65 Au1 Au3 86.7(2) . . ?
P1 Au1 Au3 90.59(5) . . ?
C66 Au1 Au3 116.1(3) . . ?
C53 Au2 C54 31.6(3) . . ?
C53 Au2 P2 179.1(2) . . ?
C54 Au2 P2 148.8(2) . . ?
C53 Au2 Au3 88.4(2) . . ?
C54 Au2 Au3 119.9(2) . . ?
P2 Au2 Au3 91.13(5) . . ?
C83 Au3 C71 171.4(3) . . ?
C83 Au3 Au2 82.1(2) . . ?
C71 Au3 Au2 98.0(2) . . ?
C83 Au3 Au4 93.2(2) . . ?
C71 Au3 Au4 92.2(2) . . ?
Au2 Au3 Au4 140.591(14) . . ?
C83 Au3 Au1 91.7(2) . . ?
C71 Au3 Au1 83.9(2) . . ?
Au2 Au3 Au1 149.512(13) . . ?
Au4 Au3 Au1 69.229(11) . . ?
C83 Au3 Au7 87.9(2) . . ?
C71 Au3 Au7 100.3(2) . . ?
Au2 Au3 Au7 70.712(11) . . ?
Au4 Au3 Au7 70.030(11) . . ?
Au1 Au3 Au7 139.165(13) . . ?
C59 Au4 C65 170.9(3) . . ?
C59 Au4 Au3 92.9(2) . . ?
C65 Au4 Au3 93.6(2) . . ?
C59 Au4 Au5 73.9(2) . . ?
C65 Au4 Au5 105.3(2) . . ?
Au3 Au4 Au5 137.186(14) . . ?
C59 Au4 Au8 89.0(2) . . ?
C65 Au4 Au8 87.2(3) . . ?
Au3 Au4 Au8 69.936(11) . . ?
Au5 Au4 Au8 147.138(13) . . ?
C59 Au4 Au6 80.6(2) . . ?
C65 Au4 Au6 107.8(3) . . ?
Au3 Au4 Au6 69.030(10) . . ?
Au5 Au4 Au6 68.701(11) . . ?
Au8 Au4 Au6 136.964(13) . . ?
C77 Au5 P4 178.0(2) . . ?
C77 Au5 C78 31.8(3) . . ?
P4 Au5 C78 148.9(2) . . ?
C77 Au5 Au4 90.7(2) . . ?
P4 Au5 Au4 88.91(5) . . ?
C78 Au5 Au4 122.0(2) . . ?
C77 Au6 C83 171.4(3) . . ?
C77 Au6 C84 156.1(3) . . ?
C83 Au6 C84 32.2(3) . . ?
C77 Au6 Au4 88.9(2) . . ?
C83 Au6 Au4 83.4(2) . . ?
C84 Au6 Au4 114.6(2) . . ?
C53 Au7 C59 172.1(3) . . ?
C53 Au7 C60 155.3(3) . . ?
C59 Au7 C60 32.6(3) . . ?
C53 Au7 Au3 87.8(2) . . ?
C59 Au7 Au3 84.3(2) . . ?
C60 Au7 Au3 116.8(2) . . ?
C71 Au8 P3 176.7(2) . . ?
C71 Au8 C72 31.3(3) . . ?
P3 Au8 C72 151.2(2) . . ?
C71 Au8 Au4 87.3(2) . . ?
P3 Au8 Au4 91.18(5) . . ?
C72 Au8 Au4 115.7(2) . . ?
C13 P1 C7 101.8(4) . . ?
C13 P1 C1 103.3(4) . . ?
C7 P1 C1 111.2(4) . . ?
C13 P1 Au1 111.3(3) . . ?
C7 P1 Au1 113.7(3) . . ?
C1 P1 Au1 114.4(3) . . ?
C14 P2 C21 99.8(4) . . ?
C14 P2 C15 106.2(4) . . ?
C21 P2 C15 108.5(4) . . ?
C14 P2 Au2 110.9(3) . . ?
C21 P2 Au2 115.1(3) . . ?
C15 P2 Au2 114.9(3) . . ?
C39 P3 C27 104.9(4) . . ?
C39 P3 C33 105.2(4) . . ?
C27 P3 C33 108.2(4) . . ?
C39 P3 Au8 112.3(2) . . ?
C27 P3 Au8 112.6(3) . . ?
C33 P3 Au8 113.0(3) . . ?
C40 P4 C47 105.1(4) . . ?
C40 P4 C41 106.3(4) . . ?
C47 P4 C41 103.1(4) . . ?
C40 P4 Au5 111.4(2) . . ?
C47 P4 Au5 114.3(3) . . ?
C41 P4 Au5 115.7(3) . . ?
C6 C1 C2 118.1(8) . . ?
C6 C1 P1 122.0(7) . . ?
C2 C1 P1 119.9(7) . . ?
C3 C2 C1 120.9(10) . . ?
C3 C2 H2 119.6 . . ?
C1 C2 H2 119.6 . . ?
C4 C3 C2 120.3(10) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C3 C4 C5 120.1(10) . . ?
C3 C4 H4 119.9 . . ?
C5 C4 H4 119.9 . . ?
C4 C5 C6 120.7(10) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C1 C6 C5 119.8(9) . . ?
C1 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C8 C7 C12 119.2(8) . . ?
C8 C7 P1 122.4(7) . . ?
C12 C7 P1 117.9(7) . . ?
C9 C8 C7 120.0(9) . . ?
C9 C8 H8 120.0 . . ?
C7 C8 H8 120.0 . . ?
C10 C9 C8 120.9(10) . . ?
C10 C9 H9 119.5 . . ?
C8 C9 H9 119.5 . . ?
C9 C10 C11 120.3(10) . . ?
C9 C10 H10 119.8 . . ?
C11 C10 H10 119.8 . . ?
C10 C11 C12 119.9(10) . . ?
C10 C11 H11 120.1 . . ?
C12 C11 H11 120.1 . . ?
C7 C12 C11 119.6(9) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 P1 173.4(7) . . ?
C13 C14 P2 171.6(7) . . ?
C16 C15 C20 119.5(8) . . ?
C16 C15 P2 120.2(6) . . ?
C20 C15 P2 120.3(7) . . ?
C17 C16 C15 120.3(9) . . ?
C17 C16 H16 119.9 . . ?
C15 C16 H16 119.9 . . ?
C16 C17 C18 120.2(11) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C19 C18 C17 120.3(10) . . ?
C19 C18 H18 119.9 . . ?
C17 C18 H18 119.9 . . ?
C18 C19 C20 120.8(10) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C19 C20 C15 118.9(10) . . ?
C19 C20 H20 120.5 . . ?
C15 C20 H20 120.5 . . ?
C22 C21 C26 119.1(9) . . ?
C22 C21 P2 119.7(7) . . ?
C26 C21 P2 121.1(7) . . ?
C21 C22 C23 119.9(9) . . ?
C21 C22 H22 120.1 . . ?
C23 C22 H22 120.1 . . ?
C24 C23 C22 119.9(10) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 H23 120.1 . . ?
C23 C24 C25 120.3(10) . . ?
C23 C24 H24 119.9 . . ?
C25 C24 H24 119.9 . . ?
C26 C25 C24 119.8(11) . . ?
C26 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C25 C26 C21 121.0(10) . . ?
C25 C26 H26 119.5 . . ?
C21 C26 H26 119.5 . . ?
C28 C27 C32 119.6(9) . . ?
C28 C27 P3 122.1(7) . . ?
C32 C27 P3 118.3(7) . . ?
C27 C28 C29 119.2(10) . . ?
C27 C28 H28 120.4 . . ?
C29 C28 H28 120.4 . . ?
C30 C29 C28 121.1(10) . . ?
C30 C29 H29 119.5 . . ?
C28 C29 H29 119.5 . . ?
C31 C30 C29 119.9(9) . . ?
C31 C30 H30 120.1 . . ?
C29 C30 H30 120.1 . . ?
C30 C31 C32 120.5(10) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C27 C32 C31 119.7(9) . . ?
C27 C32 H32 120.1 . . ?
C31 C32 H32 120.1 . . ?
C34 C33 C38 119.0(8) . . ?
C34 C33 P3 122.0(7) . . ?
C38 C33 P3 119.1(7) . . ?
C35 C34 C33 120.4(10) . . ?
C35 C34 H34 119.8 . . ?
C33 C34 H34 119.8 . . ?
C34 C35 C36 120.5(10) . . ?
C34 C35 H35 119.8 . . ?
C36 C35 H35 119.8 . . ?
C37 C36 C35 119.5(9) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 C38 121.1(10) . . ?
C36 C37 H37 119.4 . . ?
C38 C37 H37 119.4 . . ?
C37 C38 C33 119.5(9) . . ?
C37 C38 H38 120.3 . . ?
C33 C38 H38 120.3 . . ?
C40 C39 P3 170.9(7) . . ?
C39 C40 P4 167.5(7) . . ?
C42 C41 C46 119.9(8) . . ?
C42 C41 P4 122.5(7) . . ?
C46 C41 P4 117.1(6) . . ?
C41 C42 C43 119.6(9) . . ?
C41 C42 H42 120.2 . . ?
C43 C42 H42 120.2 . . ?
C44 C43 C42 120.5(9) . . ?
C44 C43 H43 119.7 . . ?
C42 C43 H43 119.7 . . ?
C45 C44 C43 120.2(9) . . ?
C45 C44 H44 119.9 . . ?
C43 C44 H44 119.9 . . ?
C44 C45 C46 120.8(9) . . ?
C44 C45 H45 119.6 . . ?
C46 C45 H45 119.6 . . ?
C45 C46 C41 118.9(8) . . ?
C45 C46 H46 120.5 . . ?
C41 C46 H46 120.5 . . ?
C48 C47 C52 120.2(8) . . ?
C48 C47 P4 120.7(7) . . ?
C52 C47 P4 119.0(7) . . ?
C49 C48 C47 119.8(9) . . ?
C49 C48 H48 120.1 . . ?
C47 C48 H48 120.1 . . ?
C50 C49 C48 120.1(10) . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 121.5(10) . . ?
C49 C50 H50 119.3 . . ?
C51 C50 H50 119.3 . . ?
C50 C51 C52 120.6(10) . . ?
C50 C51 H51 119.7 . . ?
C52 C51 H51 119.7 . . ?
C47 C52 C51 117.9(9) . . ?
C47 C52 H52 121.1 . . ?
C51 C52 H52 121.1 . . ?
C54 C53 Au7 170.8(7) . . ?
C54 C53 Au2 76.2(5) . . ?
Au7 C53 Au2 112.9(4) . . ?
C53 C54 C55 162.6(8) . . ?
C53 C54 Au2 72.2(6) . . ?
C55 C54 Au2 125.2(6) . . ?
C58 C55 C57 110.5(12) . . ?
C58 C55 C54 110.1(9) . . ?
C57 C55 C54 111.1(9) . . ?
C58 C55 C56 114.9(12) . . ?
C57 C55 C56 103.4(12) . . ?
C54 C55 C56 106.6(8) . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C55 C58 H58A 109.5 . . ?
C55 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C55 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 Au4 171.2(7) . . ?
C60 C59 Au7 75.7(6) . . ?
Au4 C59 Au7 112.8(4) . . ?
C59 C60 C61 163.0(9) . . ?
C59 C60 Au7 71.7(5) . . ?
C61 C60 Au7 125.2(6) . . ?
C60 C61 C64 110.3(7) . . ?
C60 C61 C63 109.5(8) . . ?
C64 C61 C63 110.2(8) . . ?
C60 C61 C62 106.2(7) . . ?
C64 C61 C62 109.0(8) . . ?
C63 C61 C62 111.5(8) . . ?
C61 C62 H62A 109.5 . . ?
C61 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C61 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C61 C63 H63A 109.5 . . ?
C61 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C61 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C61 C64 H64A 109.5 . . ?
C61 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C61 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
C66 C65 Au4 168.4(8) . . ?
C66 C65 Au1 79.8(6) . . ?
Au4 C65 Au1 109.0(4) . . ?
C65 C66 C67 164.6(10) . . ?
C65 C66 Au1 69.0(6) . . ?
C67 C66 Au1 126.2(7) . . ?
C66 C67 C68 108.5(11) . . ?
C66 C67 C70 114.2(10) . . ?
C68 C67 C70 111.4(12) . . ?
C66 C67 C69 107.4(11) . . ?
C68 C67 C69 107.6(13) . . ?
C70 C67 C69 107.4(12) . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C67 C70 H70A 109.5 . . ?
C67 C70 H70B 109.5 . . ?
H70A C70 H70B 109.5 . . ?
C67 C70 H70C 109.5 . . ?
H70A C70 H70C 109.5 . . ?
H70B C70 H70C 109.5 . . ?
C72 C71 Au3 168.6(7) . . ?
C72 C71 Au8 78.8(5) . . ?
Au3 C71 Au8 107.9(3) . . ?
C71 C72 C73 163.9(8) . . ?
C71 C72 Au8 69.9(5) . . ?
C73 C72 Au8 125.9(6) . . ?
C72 C73 C76 109.4(8) . . ?
C72 C73 C74 106.8(7) . . ?
C76 C73 C74 110.1(9) . . ?
C72 C73 C75 109.5(8) . . ?
C76 C73 C75 109.9(8) . . ?
C74 C73 C75 111.0(9) . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
C73 C76 H76A 109.5 . . ?
C73 C76 H76B 109.5 . . ?
H76A C76 H76B 109.5 . . ?
C73 C76 H76C 109.5 . . ?
H76A C76 H76C 109.5 . . ?
H76B C76 H76C 109.5 . . ?
C78 C77 Au6 171.9(7) . . ?
C78 C77 Au5 76.9(5) . . ?
Au6 C77 Au5 111.1(4) . . ?
C77 C78 C79 166.0(8) . . ?
C77 C78 Au5 71.4(5) . . ?
C79 C78 Au5 122.6(6) . . ?
C78 C79 C81 109.8(7) . . ?
C78 C79 C82 107.6(7) . . ?
C81 C79 C82 110.3(8) . . ?
C78 C79 C80 109.0(7) . . ?
C81 C79 C80 111.0(7) . . ?
C82 C79 C80 109.1(7) . . ?
C79 C80 H80A 109.5 . . ?
C79 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
C79 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C79 C81 H81A 109.5 . . ?
C79 C81 H81B 109.5 . . ?
H81A C81 H81B 109.5 . . ?
C79 C81 H81C 109.5 . . ?
H81A C81 H81C 109.5 . . ?
H81B C81 H81C 109.5 . . ?
C79 C82 H82A 109.5 . . ?
C79 C82 H82B 109.5 . . ?
H82A C82 H82B 109.5 . . ?
C79 C82 H82C 109.5 . . ?
H82A C82 H82C 109.5 . . ?
H82B C82 H82C 109.5 . . ?
C84 C83 Au3 171.5(7) . . ?
C84 C83 Au6 75.9(5) . . ?
Au3 C83 Au6 112.4(3) . . ?
C83 C84 C85 163.5(9) . . ?
C83 C84 Au6 71.8(5) . . ?
C85 C84 Au6 124.5(6) . . ?
C84 C85 C86 108.8(7) . . ?
C84 C85 C88 110.3(7) . . ?
C86 C85 C88 111.6(8) . . ?
C84 C85 C87 107.2(7) . . ?
C86 C85 C87 109.1(8) . . ?
C88 C85 C87 109.7(8) . . ?
C85 C86 H86A 109.5 . . ?
C85 C86 H86B 109.5 . . ?
H86A C86 H86B 109.5 . . ?
C85 C86 H86C 109.5 . . ?
H86A C86 H86C 109.5 . . ?
H86B C86 H86C 109.5 . . ?
C85 C87 H87A 109.5 . . ?
C85 C87 H87B 109.5 . . ?
H87A C87 H87B 109.5 . . ?
C85 C87 H87C 109.5 . . ?
H87A C87 H87C 109.5 . . ?
H87B C87 H87C 109.5 . . ?
C85 C88 H88A 109.5 . . ?
C85 C88 H88B 109.5 . . ?
H88A C88 H88B 109.5 . . ?
C85 C88 H88C 109.5 . . ?
H88A C88 H88C 109.5 . . ?
H88B C88 H88C 109.5 . . ?
O3 Cl1 O1 108.3(12) . . ?
O3 Cl1 O4 107.5(14) . . ?
O1 Cl1 O4 109.3(10) . . ?
O3 Cl1 O2 115.7(16) . . ?
O1 Cl1 O2 106.5(9) . . ?
O4 Cl1 O2 109.4(11) . . ?
O8 Cl2 O5 109.1(7) . . ?
O8 Cl2 O7 111.5(7) . . ?
O5 Cl2 O7 111.3(5) . . ?
O8 Cl2 O6 109.3(7) . . ?
O5 Cl2 O6 110.3(6) . . ?
O7 Cl2 O6 105.3(5) . . ?
O12 Cl3 O10 114.0(15) . . ?
O12 Cl3 O9 114.2(12) . . ?
O10 Cl3 O9 113.6(10) . . ?
O12 Cl3 O11 102(2) . . ?
O10 Cl3 O11 101.8(14) . . ?
O9 Cl3 O11 109.4(18) . . ?
Cl3 O11 O11 98.6(18) . 2_665 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C65 2.188(8) . ?
Au1 P1 2.264(2) . yes
Au1 C66 2.306(9) . ?
Au1 Au3 3.0711(5) . yes
Au2 C53 2.219(8) . ?
Au2 C54 2.263(8) . ?
Au2 P2 2.278(2) . yes
Au2 Au3 2.9349(4) . yes
Au3 C83 1.992(8) . ?
Au3 C71 2.000(8) . ?
Au3 Au4 2.9427(4) . yes
Au3 Au7 3.1160(4) . yes
Au4 C59 1.981(9) . ?
Au4 C65 2.008(9) . ?
Au4 Au5 2.9455(5) . yes
Au4 Au8 2.9802(5) . yes
Au4 Au6 3.1784(4) . yes
Au5 C77 2.220(8) . ?
Au5 P4 2.276(2) . yes
Au5 C78 2.282(8) . ?
Au6 C77 1.973(8) . ?
Au6 C83 2.186(8) . ?
Au6 C84 2.232(8) . ?
Au7 C53 1.983(8) . ?
Au7 C59 2.195(8) . ?
Au7 C60 2.240(8) . ?
Au8 C71 2.197(7) . ?
Au8 P3 2.263(2) . yes
Au8 C72 2.295(8) . ?
P1 C13 1.761(9) . ?
P1 C7 1.794(9) . ?
P1 C1 1.813(9) . ?
P2 C14 1.777(9) . ?
P2 C21 1.797(9) . ?
P2 C15 1.809(8) . ?
P3 C39 1.806(10) . ?
P3 C27 1.809(8) . ?
P3 C33 1.814(8) . ?
P4 C40 1.807(10) . ?
P4 C47 1.808(9) . ?
P4 C41 1.818(8) . ?
C1 C6 1.386(13) . ?
C1 C2 1.394(13) . ?
C2 C3 1.383(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.358(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.360(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.398(14) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.398(12) . ?
C7 C12 1.399(13) . ?
C8 C9 1.391(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.366(15) . ?
C9 H9 0.9500 . ?
C10 C11 1.382(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.415(14) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.177(12) . ?
C15 C16 1.384(13) . ?
C15 C20 1.398(12) . ?
C16 C17 1.368(13) . ?
C16 H16 0.9500 . ?
C17 C18 1.375(16) . ?
C17 H17 0.9500 . ?
C18 C19 1.360(17) . ?
C18 H18 0.9500 . ?
C19 C20 1.385(14) . ?
C19 H19 0.9500 . ?
C20 H20 0.9500 . ?
C21 C22 1.371(12) . ?
C21 C26 1.389(13) . ?
C22 C23 1.403(14) . ?
C22 H22 0.9500 . ?
C23 C24 1.361(15) . ?
C23 H23 0.9500 . ?
C24 C25 1.382(16) . ?
C24 H24 0.9500 . ?
C25 C26 1.360(15) . ?
C25 H25 0.9500 . ?
C26 H26 0.9500 . ?
C27 C28 1.361(12) . ?
C27 C32 1.386(13) . ?
C28 C29 1.386(14) . ?
C28 H28 0.9500 . ?
C29 C30 1.370(15) . ?
C29 H29 0.9500 . ?
C30 C31 1.332(15) . ?
C30 H30 0.9500 . ?
C31 C32 1.391(14) . ?
C31 H31 0.9500 . ?
C32 H32 0.9500 . ?
C33 C34 1.385(13) . ?
C33 C38 1.398(12) . ?
C34 C35 1.379(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.383(15) . ?
C35 H35 0.9500 . ?
C36 C37 1.361(15) . ?
C36 H36 0.9500 . ?
C37 C38 1.388(13) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
C39 C40 1.116(12) . ?
C41 C42 1.376(12) . ?
C41 C46 1.394(12) . ?
C42 C43 1.387(13) . ?
C42 H42 0.9500 . ?
C43 C44 1.367(15) . ?
C43 H43 0.9500 . ?
C44 C45 1.357(13) . ?
C44 H44 0.9500 . ?
C45 C46 1.393(12) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
C47 C48 1.395(12) . ?
C47 C52 1.396(12) . ?
C48 C49 1.391(14) . ?
C48 H48 0.9500 . ?
C49 C50 1.346(16) . ?
C49 H49 0.9500 . ?
C50 C51 1.367(17) . ?
C50 H50 0.9500 . ?
C51 C52 1.409(14) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.221(12) . ?
C54 C55 1.508(13) . ?
C55 C58 1.462(16) . ?
C55 C57 1.479(18) . ?
C55 C56 1.511(16) . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.245(12) . ?
C60 C61 1.490(12) . ?
C61 C64 1.527(13) . ?
C61 C63 1.543(13) . ?
C61 C62 1.551(12) . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 C66 1.211(13) . ?
C66 C67 1.472(14) . ?
C67 C68 1.495(19) . ?
C67 C70 1.502(16) . ?
C67 C69 1.54(2) . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
C70 H70A 0.9800 . ?
C70 H70B 0.9800 . ?
C70 H70C 0.9800 . ?
C71 C72 1.216(11) . ?
C72 C73 1.486(12) . ?
C73 C76 1.522(13) . ?
C73 C74 1.525(13) . ?
C73 C75 1.544(14) . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
C76 H76A 0.9800 . ?
C76 H76B 0.9800 . ?
C76 H76C 0.9800 . ?
C77 C78 1.233(12) . ?
C78 C79 1.498(12) . ?
C79 C81 1.526(13) . ?
C79 C82 1.540(12) . ?
C79 C80 1.544(12) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9800 . ?
C81 H81B 0.9800 . ?
C81 H81C 0.9800 . ?
C82 H82A 0.9800 . ?
C82 H82B 0.9800 . ?
C82 H82C 0.9800 . ?
C83 C84 1.227(11) . ?
C84 C85 1.490(11) . ?
C85 C86 1.512(14) . ?
C85 C88 1.519(12) . ?
C85 C87 1.539(13) . ?
C86 H86A 0.9800 . ?
C86 H86B 0.9800 . ?
C86 H86C 0.9800 . ?
C87 H87A 0.9800 . ?
C87 H87B 0.9800 . ?
C87 H87C 0.9800 . ?
C88 H88A 0.9800 . ?
C88 H88B 0.9800 . ?
C88 H88C 0.9800 . ?
Cl1 O3 1.18(3) . ?
Cl1 O1 1.351(11) . ?
Cl1 O4 1.388(17) . ?
Cl1 O2 1.404(18) . ?
Cl2 O8 1.355(10) . ?
Cl2 O5 1.408(8) . ?
Cl2 O7 1.425(8) . ?
Cl2 O6 1.458(9) . ?
Cl3 O12 1.22(2) . ?
Cl3 O10 1.354(17) . ?
Cl3 O9 1.359(18) . ?
Cl3 O11 1.45(4) . ?
O11 O11 1.75(9) 2_665 ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139181896
