#------------------------------------------------------------------------------
#$Date: 2019-01-22 01:19:44 +0200 (Tue, 22 Jan 2019) $
#$Revision: 213240 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/04/1550497.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_1550497
loop_
_publ_author_name
'Gruetzmacher, Hansjoerg'
'Hou, Yuanfeng'
'Li, Zhongshu'
'Li, Yaqi'
'Su, Cheng-Yong'
'Puschmann, Florian'
'Liu, Peng'
_publ_section_title
;
 Making the Unconventional μ2-P Bridging Binding Mode More Conventional
 in Phosphinine Complexes
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/C8SC05281F
_journal_year                    2019
_chemical_formula_moiety         'C87 H66 Au6 Cl O5 P5 S, 2(C H2 Cl2), C3 H7'
_chemical_formula_sum            'C92 H77 Au6 Cl5 O5 P5 S'
_chemical_formula_weight         2808.49
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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
_audit_creation_date             2018-03-14
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2018-10-09 deposited with the CCDC.
2019-01-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 99.0770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.31190(10)
_cell_length_b                   21.8107(2)
_cell_length_c                   28.8693(2)
_cell_measurement_reflns_used    108189
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      73.8940
_cell_measurement_theta_min      3.5660
_cell_volume                     9520.55(13)
_computing_cell_refinement       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -89.00  17.00   0.50    2.00    --    0.00 -38.00   0.00  212
  2  ω    -17.00  89.00   0.50    2.00    --    0.00  38.00 -30.00  212
  3  ω    -89.00  17.00   0.50    2.00    --    0.00 -38.00-180.00  212
  4  ω    -89.00  17.00   0.50    2.00    --    0.00 -38.00  90.00  212
  5  ω    -17.00  89.00   0.50    2.00    --    0.00  38.00-180.00  212
  6  ω    -29.00  89.00   0.50    2.00    --    0.00  77.00  60.00  236
  7  ω    -17.00  89.00   0.50    2.00    --    0.00  38.00-120.00  212
  8  ω     71.00 185.00   0.50   10.00    --   95.20  65.00-150.21  228
  9  ω      6.00 119.00   0.50   10.00    --   95.20 -15.00 -90.00  226
 10  ω      6.00 119.00   0.50   10.00    --   95.20 -61.00  60.00  226
 11  ω      6.00 127.00   0.50   10.00    --   95.20 -82.00 -90.00  242
 12  ω      6.00 127.00   0.50   10.00    --   95.20 -82.00  60.00  242
 13  ω      6.00 127.00   0.50   10.00    --   95.20 -82.00 120.00  242
 14  ω     79.00 185.00   0.50   10.00    --   95.20  30.00 -90.00  212
 15  ω      6.00 127.00   0.50   10.00    --   95.20 -82.00   0.00  242
 16  ω      6.00 119.00   0.50   10.00    --   95.20 -61.00-180.00  226
 17  ω     79.00 185.00   0.50   10.00    --   95.20  30.00 -60.00  212
 18  ω      6.00 115.00   0.50   10.00    --   95.20 -45.00 120.00  218
 19  ω      6.00 127.00   0.50   10.00    --   95.20 -82.00-150.00  242
 20  ω      6.00 127.00   0.50   10.00    --   95.20 -82.00-180.00  242
 21  ω      6.00 119.00   0.50   10.00    --   95.20 -61.00 -60.00  226
 22  ω      6.00 112.00   0.50   10.00    --   95.20 -30.00 -90.00  212
 23  ω    -31.00  89.00   0.50    2.00    --    0.00  82.00  90.00  240
 24  ω    -31.00  48.00   0.50    2.00    --    0.00  82.00 150.00  158
 25  ω    -89.00  22.00   0.50    2.00    --    0.00 -57.00-120.00  222
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0729985000
_diffrn_orient_matrix_UB_12      0.0350615000
_diffrn_orient_matrix_UB_13      0.0322736000
_diffrn_orient_matrix_UB_21      0.0660152000
_diffrn_orient_matrix_UB_22      -0.0519120000
_diffrn_orient_matrix_UB_23      -0.0053579000
_diffrn_orient_matrix_UB_31      0.0263437000
_diffrn_orient_matrix_UB_32      0.0327194000
_diffrn_orient_matrix_UB_33      -0.0429783000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0620
_diffrn_reflns_av_unetI/netI     0.0242
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            170600
_diffrn_reflns_point_group_measured_fraction_full 0.989
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.451
_diffrn_reflns_theta_min         2.551
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    19.613
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33546
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light red'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.959
_exptl_crystal_description       block
_exptl_crystal_F_000             5276
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         3.334
_refine_diff_density_min         -1.701
_refine_diff_density_rms         0.282
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1000
_refine_ls_number_reflns         19015
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0564P)²+341.5175P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1710
_refine_ls_wR_factor_ref         0.1722
_reflns_Friedel_coverage         0.000
_reflns_number_gt                17794
_reflns_number_total             19015
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8sc05281f2.cif
_cod_data_source_block           exp_97
_cod_database_code               1550497
_shelx_shelxl_version_number     2014/7
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.145
_shelx_estimated_absorpt_t_min   0.111
_reflns_odcompleteness_completeness 99.98
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C34) = Uanis(C33) = Uanis(C32) = Uanis(C31) = Uanis(C30) = Uanis(C29)
3.a Secondary CH2 refined with riding coordinates:
 C7BA(H7BA,H7BB), C3AA(H3AA,H3AB), C7AA(H7AA,H7AB), C1BA(H1BA,H1BB)
3.b Aromatic/amide H refined with riding coordinates:
 C4(H4), C11(H11), C75(H75), C2(H2), C72(H72), C17(H17), C7(H7), C51(H51),
 C9(H9), C42(H42), C16(H16), C70(H70), C50(H50), C82(H82), C19(H19), C83(H83),
 C53(H53), C79(H79), C78(H78), C47(H47), C55(H55), C81(H81), C8(H8), C48(H48),
 C10(H10), C13(H13), C49(H49), C64(H64), C85(H85), C84(H84), C67(H67), C21(H21),
  C76(H76), C28(H28), C27(H27), C43(H43), C77(H77), C15(H15), C66(H66),
 C57(H57), C68(H68), C24(H24), C58(H58), C25(H25), C26(H26), C45(H45), C61(H61),
  C14(H14), C33(H33), C44(H44), C65(H65), C59(H59), C34(H34), C30(H30),
 C32(H32), C38(H38), C41(H41), C36(H36), C60(H60), C31(H31)
3.c Idealised Me refined as rotating group:
 C8AA(H8AA,H8AB,H8AC), C0AA(H0AA,H0AB,H0AC), C6AA(H6AA,H6AB,H6AC)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 3.734
_oxdiff_exptl_absorpt_empirical_full_min 0.638
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Au6 Au 0.68237(3) 0.62036(2) 0.62706(2) 0.02821(12) Uani 1 1 d .
Au4 Au 0.82956(3) 0.82740(2) 0.75427(2) 0.03059(12) Uani 1 1 d .
Au2 Au 0.54747(3) 0.63957(2) 0.72823(2) 0.03000(12) Uani 1 1 d .
Au3 Au 0.63184(4) 0.76714(3) 0.80453(2) 0.03335(13) Uani 1 1 d .
Au5 Au 0.86090(3) 0.74074(2) 0.64404(2) 0.03068(12) Uani 1 1 d .
Au1 Au 0.72061(4) 0.71137(3) 0.71658(2) 0.03465(13) Uani 1 1 d .
Cl1 Cl 0.6230(2) 0.78100(15) 0.67756(11) 0.0393(7) Uani 1 1 d .
P1 P 0.57034(19) 0.58193(14) 0.66385(10) 0.0254(6) Uani 1 1 d .
P5 P 0.7972(2) 0.66338(14) 0.59483(10) 0.0261(6) Uani 1 1 d .
P4 P 0.9177(2) 0.81694(15) 0.69626(11) 0.0293(6) Uani 1 1 d .
P3 P 0.7443(2) 0.83910(15) 0.81343(11) 0.0317(7) Uani 1 1 d .
P2 P 0.5218(2) 0.69278(16) 0.79374(11) 0.0351(7) Uani 1 1 d .
S1 S 0.8163(3) 0.6374(2) 0.75019(14) 0.0493(9) Uani 1 1 d .
O3 O 0.8590(7) 0.7762(5) 0.8736(4) 0.047(2) Uani 1 1 d .
O4 O 1.0497(7) 0.7446(5) 0.7392(4) 0.047(2) Uani 1 1 d .
O5 O 0.9116(7) 0.5724(5) 0.6205(3) 0.043(2) Uani 1 1 d .
O1 O 0.6670(7) 0.4995(5) 0.7168(4) 0.043(2) Uani 1 1 d .
C4 C 0.4240(8) 0.5166(6) 0.6247(4) 0.030(3) Uani 1 1 d .
H4 H 0.3693 0.5136 0.6056 0.036 Uiso 1 1 calc R
C12 C 0.3963(9) 0.4064(6) 0.6441(4) 0.033(3) Uani 1 1 d .
C73 C 0.7657(8) 0.6931(6) 0.5359(5) 0.030(2) Uani 1 1 d .
C11 C 0.3697(9) 0.6127(7) 0.5548(5) 0.037(3) Uani 1 1 d .
H11 H 0.3641 0.5733 0.5425 0.044 Uiso 1 1 calc R
C1 C 0.5987(8) 0.5071(6) 0.6905(4) 0.031(3) Uani 1 1 d .
C46 C 0.8066(9) 0.9729(6) 0.9392(4) 0.034(3) Uani 1 1 d .
C75 C 0.6485(10) 0.7605(8) 0.5589(5) 0.047(4) Uani 1 1 d .
H75 H 0.6822 0.7642 0.5886 0.056 Uiso 1 1 calc R
C2 C 0.5340(8) 0.4566(6) 0.6790(4) 0.030(3) Uani 1 1 d .
H2 H 0.5480 0.4188 0.6931 0.036 Uiso 1 1 calc R
C71 C 0.8938(8) 0.6448(6) 0.5068(4) 0.031(3) Uani 1 1 d .
C72 C 0.8158(8) 0.6817(5) 0.5024(4) 0.028(2) Uani 1 1 d .
H72 H 0.7975 0.6997 0.4733 0.034 Uiso 1 1 calc R
O2 O 0.6046(9) 0.6173(7) 0.8575(4) 0.067(3) Uani 1 1 d .
C3 C 0.4572(8) 0.4613(6) 0.6501(4) 0.029(2) Uani 1 1 d .
C40 C 0.6371(8) 0.9417(6) 0.7798(4) 0.031(3) Uani 1 1 d .
C17 C 0.4293(11) 0.3472(6) 0.6427(5) 0.039(3) Uani 1 1 d .
H17 H 0.4901 0.3409 0.6461 0.046 Uiso 1 1 calc R
C7 C 0.4317(10) 0.6831(6) 0.6153(5) 0.041(3) Uani 1 1 d .
H7 H 0.4686 0.6909 0.6435 0.049 Uiso 1 1 calc R
C51 C 0.8884(9) 0.9999(6) 0.9498(5) 0.035(3) Uani 1 1 d .
H51 H 0.9331 0.9889 0.9329 0.043 Uiso 1 1 calc R
C37 C 0.7884(9) 0.9277(6) 0.8991(4) 0.033(3) Uani 1 1 d .
C54 C 1.0749(9) 0.9087(6) 0.7245(4) 0.033(3) Uani 1 1 d .
C9 C 0.3326(12) 0.7201(8) 0.5485(5) 0.049(4) Uani 1 1 d .
H9 H 0.3013 0.7520 0.5321 0.059 Uiso 1 1 calc R
C18 C 0.4077(10) 0.7171(6) 0.7857(5) 0.040(3) Uani 1 1 d .
C80 C 0.9380(8) 0.6367(6) 0.4649(4) 0.031(3) Uani 1 1 d .
C42 C 0.5233(9) 1.0139(6) 0.7501(5) 0.038(3) Uani 1 1 d .
H42 H 0.4845 1.0446 0.7563 0.046 Uiso 1 1 calc R
C62 C 0.8566(9) 0.9191(7) 0.6389(5) 0.038(3) Uani 1 1 d .
C74 C 0.6791(9) 0.7268(7) 0.5248(5) 0.039(3) Uani 1 1 d .
C5 C 0.4649(8) 0.5716(6) 0.6263(4) 0.030(2) Uani 1 1 d .
C16 C 0.3724(13) 0.2975(7) 0.6361(5) 0.049(4) Uani 1 1 d .
H16 H 0.3947 0.2581 0.6342 0.059 Uiso 1 1 calc R
C56 C 0.9281(8) 0.8945(7) 0.6744(5) 0.036(3) Uani 1 1 d .
C70 C 0.9278(8) 0.6127(6) 0.5462(4) 0.028(2) Uani 1 1 d .
H70 H 0.9805 0.5916 0.5460 0.034 Uiso 1 1 calc R
C63 C 1.1450(9) 0.9549(6) 0.7402(5) 0.036(3) Uani 1 1 d .
C50 C 0.9055(12) 1.0433(7) 0.9852(5) 0.049(4) Uani 1 1 d .
H50 H 0.9601 1.0629 0.9911 0.059 Uiso 1 1 calc R
C52 C 1.0284(9) 0.7994(6) 0.7279(4) 0.034(3) Uani 1 1 d .
C82 C 1.0011(11) 0.5750(8) 0.4100(5) 0.047(4) Uani 1 1 d .
H82 H 1.0173 0.5366 0.4003 0.056 Uiso 1 1 calc R
C19 C 0.3539(12) 0.6978(7) 0.8153(6) 0.049(4) Uani 1 1 d .
H19 H 0.2950 0.7100 0.8089 0.058 Uiso 1 1 calc R
C83 C 1.0141(10) 0.6268(8) 0.3838(6) 0.049(4) Uani 1 1 d .
H83 H 1.0414 0.6234 0.3573 0.059 Uiso 1 1 calc R
C53 C 1.0879(9) 0.8512(7) 0.7409(5) 0.036(3) Uani 1 1 d .
H53 H 1.1388 0.8437 0.7623 0.043 Uiso 1 1 calc R
C6 C 0.4228(8) 0.6238(5) 0.5983(4) 0.028(2) Uani 1 1 d .
C79 C 0.6275(9) 0.7208(6) 0.4815(5) 0.037(3) Uani 1 1 d .
H79 H 0.6475 0.6965 0.4588 0.044 Uiso 1 1 calc R
C69 C 0.8871(8) 0.6090(6) 0.5890(4) 0.032(3) Uani 1 1 d .
C78 C 0.5472(10) 0.7497(8) 0.4710(6) 0.048(4) Uani 1 1 d .
H78 H 0.5138 0.7461 0.4413 0.057 Uiso 1 1 calc R
C47 C 0.7401(10) 0.9875(7) 0.9650(4) 0.038(3) Uani 1 1 d .
H47 H 0.6840 0.9704 0.9578 0.045 Uiso 1 1 calc R
C55 C 1.0001(9) 0.9273(6) 0.6912(5) 0.036(3) Uani 1 1 d .
H55 H 1.0017 0.9672 0.6798 0.044 Uiso 1 1 calc R
C81 C 0.9638(9) 0.5808(7) 0.4508(5) 0.042(3) Uani 1 1 d .
H81 H 0.9564 0.5462 0.4687 0.050 Uiso 1 1 calc R
C8 C 0.3864(11) 0.7310(7) 0.5908(6) 0.051(4) Uani 1 1 d .
H8 H 0.3922 0.7706 0.6029 0.061 Uiso 1 1 calc R
C48 C 0.7599(11) 1.0281(7) 1.0016(5) 0.045(4) Uani 1 1 d .
H48 H 0.7172 1.0362 1.0203 0.054 Uiso 1 1 calc R
C10 C 0.3260(11) 0.6613(7) 0.5308(5) 0.046(4) Uani 1 1 d .
H10 H 0.2911 0.6541 0.5018 0.055 Uiso 1 1 calc R
C13 C 0.3051(9) 0.4160(7) 0.6406(5) 0.037(3) Uani 1 1 d .
H13 H 0.2823 0.4554 0.6418 0.044 Uiso 1 1 calc R
C49 C 0.8401(12) 1.0572(7) 1.0116(5) 0.050(4) Uani 1 1 d .
H49 H 0.8503 1.0858 1.0357 0.060 Uiso 1 1 calc R
C64 C 1.2336(10) 0.9402(8) 0.7480(6) 0.051(4) Uani 1 1 d .
H64 H 1.2506 0.9001 0.7431 0.061 Uiso 1 1 calc R
C85 C 0.9496(8) 0.6885(7) 0.4378(5) 0.035(3) Uani 1 1 d .
H85 H 0.9326 0.7270 0.4470 0.042 Uiso 1 1 calc R
C23 C 0.3741(10) 0.7574(8) 0.7465(6) 0.048(4) Uani 1 1 d .
C84 C 0.9869(10) 0.6818(7) 0.3970(5) 0.042(3) Uani 1 1 d .
H84 H 0.9931 0.7161 0.3786 0.050 Uiso 1 1 calc R
C67 C 1.1814(12) 1.0600(8) 0.7630(6) 0.056(4) Uani 1 1 d .
H67 H 1.1640 1.0996 0.7692 0.068 Uiso 1 1 calc R
C21 C 0.4595(12) 0.6344(8) 0.8684(6) 0.054(4) Uani 1 1 d .
H21 H 0.4672 0.6087 0.8944 0.065 Uiso 1 1 calc R
C22 C 0.5349(12) 0.6437(8) 0.8449(5) 0.049(4) Uani 1 1 d .
C76 C 0.5660(11) 0.7894(9) 0.5489(6) 0.058(5) Uani 1 1 d .
H76 H 0.5452 0.8121 0.5721 0.069 Uiso 1 1 calc R
C28 C 0.4266(11) 0.8048(7) 0.7312(6) 0.046(3) Uani 1 1 d .
H28 H 0.4841 0.8108 0.7465 0.055 Uiso 1 1 calc R
C27 C 0.3924(13) 0.8433(10) 0.6929(7) 0.065(5) Uani 1 1 d .
H27 H 0.4271 0.8748 0.6840 0.078 Uiso 1 1 calc R
C43 C 0.5242(11) 0.9965(9) 0.7048(6) 0.058(4) Uani 1 1 d .
H43 H 0.4854 1.0138 0.6802 0.070 Uiso 1 1 calc R
C77 C 0.5161(11) 0.7850(9) 0.5063(6) 0.058(5) Uani 1 1 d .
H77 H 0.4618 0.8049 0.5000 0.070 Uiso 1 1 calc R
C15 C 0.2846(12) 0.3068(8) 0.6326(5) 0.054(5) Uani 1 1 d .
H15 H 0.2469 0.2731 0.6283 0.065 Uiso 1 1 calc R
C66 C 1.2717(12) 1.0435(8) 0.7706(7) 0.059(4) Uani 1 1 d .
H66 H 1.3145 1.0729 0.7807 0.070 Uiso 1 1 calc R
C57 C 0.7742(12) 0.8956(9) 0.6315(8) 0.068(6) Uani 1 1 d .
H57 H 0.7571 0.8651 0.6507 0.082 Uiso 1 1 calc R
C68 C 1.1199(10) 1.0165(7) 0.7466(6) 0.044(3) Uani 1 1 d .
H68 H 1.0607 1.0276 0.7395 0.052 Uiso 1 1 calc R
C24 C 0.2880(12) 0.7505(9) 0.7212(6) 0.057(4) Uani 1 1 d .
H24 H 0.2514 0.7201 0.7302 0.069 Uiso 1 1 calc R
C29 C 0.3101(19) 0.6469(10) 0.8854(10) 0.093(4) Uani 1 1 d .
C20 C 0.3794(13) 0.6596(7) 0.8562(6) 0.055(5) Uani 1 1 d .
C58 C 0.7142(14) 0.9197(12) 0.5927(9) 0.090(8) Uani 1 1 d .
H58 H 0.6633 0.8972 0.5825 0.109 Uiso 1 1 calc R
C25 C 0.2567(12) 0.7874(10) 0.6836(7) 0.065(5) Uani 1 1 d .
H25 H 0.1999 0.7814 0.6673 0.078 Uiso 1 1 calc R
C26 C 0.3104(13) 0.8344(10) 0.6696(7) 0.066(5) Uani 1 1 d .
H26 H 0.2888 0.8593 0.6441 0.079 Uiso 1 1 calc R
C45 C 0.6414(13) 0.9254(9) 0.7333(5) 0.060(5) Uani 1 1 d .
H45 H 0.6824 0.8965 0.7267 0.071 Uiso 1 1 calc R
C61 C 0.8785(15) 0.9646(11) 0.6065(8) 0.088(8) Uani 1 1 d .
H61 H 0.9359 0.9791 0.6074 0.105 Uiso 1 1 calc R
C14 C 0.2487(11) 0.3648(8) 0.6352(5) 0.050(4) Uani 1 1 d .
H14 H 0.1880 0.3698 0.6333 0.060 Uiso 1 1 calc R
C33 C 0.2667(19) 0.6407(9) 0.9641(11) 0.093(4) Uani 1 1 d .
H33 H 0.2813 0.6400 0.9966 0.112 Uiso 1 1 calc R
C44 C 0.5837(14) 0.9530(10) 0.6968(6) 0.068(6) Uani 1 1 d .
H44 H 0.5861 0.9412 0.6660 0.082 Uiso 1 1 calc R
C65 C 1.2972(12) 0.9829(10) 0.7628(7) 0.063(5) Uani 1 1 d .
H65 H 1.3567 0.9720 0.7677 0.076 Uiso 1 1 calc R
C59 C 0.7247(15) 0.9689(10) 0.5713(9) 0.087(8) Uani 1 1 d .
H59 H 0.6780 0.9914 0.5551 0.104 Uiso 1 1 calc R
C34 C 0.3313(19) 0.6505(9) 0.9359(10) 0.093(4) Uani 1 1 d .
H34 H 0.3889 0.6594 0.9497 0.112 Uiso 1 1 calc R
C30 C 0.2224(18) 0.6380(9) 0.8669(10) 0.093(4) Uani 1 1 d .
H30 H 0.2064 0.6391 0.8345 0.112 Uiso 1 1 calc R
C32 C 0.1826(19) 0.6324(9) 0.9431(10) 0.093(4) Uani 1 1 d .
H32 H 0.1391 0.6299 0.9622 0.112 Uiso 1 1 calc R
C38 C 0.8343(9) 0.8741(6) 0.9028(4) 0.032(3) Uani 1 1 d .
H38 H 0.8771 0.8683 0.9291 0.039 Uiso 1 1 calc R
C41 C 0.5783(10) 0.9874(8) 0.7868(5) 0.045(3) Uani 1 1 d .
H41 H 0.5758 1.0005 0.8172 0.054 Uiso 1 1 calc R
C35 C 0.7001(8) 0.9152(6) 0.8196(4) 0.032(3) Uani 1 1 d .
C36 C 0.7237(8) 0.9469(5) 0.8593(4) 0.027(2) Uani 1 1 d .
H36 H 0.6963 0.9846 0.8616 0.032 Uiso 1 1 calc R
C39 C 0.8209(9) 0.8258(6) 0.8686(5) 0.037(3) Uani 1 1 d .
Cl2 Cl 0.1622(3) 0.5606(2) 0.5968(2) 0.0751(14) Uani 1 1 d .
Cl0A Cl 0.1003(3) 0.6625(3) 0.6498(2) 0.0768(14) Uani 1 1 d .
Cl1A Cl 0.7768(5) 0.6353(3) 0.9750(2) 0.0941(19) Uani 1 1 d .
C7BA C 0.179(2) 0.6366(12) 0.6142(13) 0.117(12) Uani 1 1 d .
H7BA H 0.1755 0.6624 0.5866 0.141 Uiso 1 1 calc R
H7BB H 0.2385 0.6408 0.6318 0.141 Uiso 1 1 calc R
Cl2A Cl 0.6730(5) 0.7393(4) 0.9369(2) 0.109(2) Uani 1 1 d .
C8AA C 0.9034(10) 0.6735(9) 0.7887(6) 0.058(4) Uani 1 1 d .
H8AA H 0.9567 0.6723 0.7751 0.087 Uiso 1 1 calc GR
H8AB H 0.9127 0.6524 0.8182 0.087 Uiso 1 1 calc GR
H8AC H 0.8878 0.7154 0.7935 0.087 Uiso 1 1 calc GR
C0AA C 0.7634(14) 0.5942(9) 0.7903(6) 0.067(5) Uani 1 1 d .
H0AA H 0.8028 0.5628 0.8044 0.101 Uiso 1 1 calc GR
H0AB H 0.7107 0.5756 0.7737 0.101 Uiso 1 1 calc GR
H0AC H 0.7481 0.6209 0.8142 0.101 Uiso 1 1 calc GR
C6AA C 0.4206(15) 0.9320(11) 0.5822(6) 0.072(6) Uani 1 1 d .
H6AA H 0.3967 0.9013 0.5600 0.108 Uiso 1 1 calc GR
H6AB H 0.3760 0.9445 0.6002 0.108 Uiso 1 1 calc GR
H6AC H 0.4703 0.9155 0.6028 0.108 Uiso 1 1 calc GR
C3AA C 0.4493(15) 0.9857(11) 0.5570(8) 0.080(6) Uani 1 1 d .
H3AA H 0.4932 1.0076 0.5787 0.096 Uiso 1 1 calc R
H3AB H 0.3987 1.0127 0.5494 0.096 Uiso 1 1 calc R
C7AA C 0.4885(14) 0.9750(10) 0.5113(8) 0.078(6) Uani 1 1 d .
H7AA H 0.5404 0.9493 0.5188 0.093 Uiso 1 1 calc R
H7AB H 0.4455 0.9521 0.4897 0.093 Uiso 1 1 calc R
C60 C 0.8090(18) 0.9855(10) 0.5741(10) 0.097(9) Uani 1 1 d .
H60 H 0.8223 1.0137 0.5521 0.117 Uiso 1 1 calc R
C31 C 0.1559(19) 0.6273(9) 0.8942(10) 0.093(4) Uani 1 1 d .
H31 H 0.0982 0.6175 0.8810 0.112 Uiso 1 1 calc R
C1BA C 0.756(2) 0.6850(19) 0.9294(13) 0.139(14) Uani 1 1 d .
H1BA H 0.7367 0.6621 0.9008 0.167 Uiso 1 1 calc R
H1BB H 0.8096 0.7065 0.9260 0.167 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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'
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
P1 Au6 Au1 84.80(7) .
P1 Au6 P5 175.90(10) .
P5 Au6 Au1 91.10(7) .
P4 Au4 Au1 90.48(8) .
P3 Au4 Au1 90.80(8) .
P3 Au4 P4 178.58(12) .
P1 Au2 Au1 87.01(7) .
P2 Au2 Au1 95.33(9) .
P2 Au2 P1 177.21(12) .
P3 Au3 Au1 86.88(8) .
P3 Au3 P2 177.84(12) .
P2 Au3 Au1 91.01(8) .
P5 Au5 Au1 89.69(7) .
P4 Au5 Au1 86.64(8) .
P4 Au5 P5 176.32(11) .
Au6 Au1 Au3 142.80(2) .
Au6 Au1 Au5 70.451(16) .
Au4 Au1 Au6 142.41(2) .
Au4 Au1 Au2 141.08(2) .
Au4 Au1 Au3 72.290(17) .
Au4 Au1 Au5 72.438(17) .
Au2 Au1 Au6 74.366(17) .
Au2 Au1 Au3 69.151(17) .
Au2 Au1 Au5 144.24(2) .
Au5 Au1 Au3 143.93(2) .
Cl1 Au1 Au6 89.55(8) .
Cl1 Au1 Au4 84.61(9) .
Cl1 Au1 Au2 83.52(9) .
Cl1 Au1 Au3 79.52(8) .
Cl1 Au1 Au5 89.94(9) .
S1 Au1 Au6 85.94(10) .
S1 Au1 Au4 98.76(11) .
S1 Au1 Au2 95.60(11) .
S1 Au1 Au3 104.35(10) .
S1 Au1 Au5 88.20(11) .
S1 Au1 Cl1 175.47(13) .
Au6 P1 Au2 112.89(12) .
C1 P1 Au6 111.9(4) .
C1 P1 Au2 101.8(4) .
C5 P1 Au6 115.2(4) .
C5 P1 Au2 108.3(4) .
C5 P1 C1 105.7(6) .
Au6 P5 Au5 108.75(11) .
C73 P5 Au6 114.6(4) .
C73 P5 Au5 109.8(4) .
C73 P5 C69 103.7(6) .
C69 P5 Au6 113.7(4) .
C69 P5 Au5 106.1(4) .
Au5 P4 Au4 109.76(13) .
C56 P4 Au4 104.6(4) .
C56 P4 Au5 119.0(4) .
C56 P4 C52 104.0(6) .
C52 P4 Au4 105.0(4) .
C52 P4 Au5 113.4(4) .
Au3 P3 Au4 109.80(13) .
C35 P3 Au4 115.8(5) .
C35 P3 Au3 110.4(4) .
C35 P3 C39 104.8(6) .
C39 P3 Au4 105.2(5) .
C39 P3 Au3 110.5(5) .
Au2 P2 Au3 104.32(13) .
C18 P2 Au2 109.3(5) .
C18 P2 Au3 118.6(5) .
C18 P2 C22 105.0(8) .
C22 P2 Au2 111.2(5) .
C22 P2 Au3 108.6(6) .
C8AA S1 Au1 108.6(7) .
C8AA S1 C0AA 101.7(9) .
C0AA S1 Au1 108.7(7) .
C3 C4 H4 116.8 .
C5 C4 H4 116.8 .
C5 C4 C3 126.4(11) .
C17 C12 C3 121.3(12) .
C17 C12 C13 120.1(13) .
C13 C12 C3 118.6(12) .
C72 C73 P5 120.6(10) .
C72 C73 C74 121.3(12) .
C74 C73 P5 118.0(9) .
C6 C11 H11 120.5 .
C10 C11 H11 120.5 .
C10 C11 C6 119.0(13) .
O1 C1 P1 120.9(10) .
O1 C1 C2 121.4(13) .
C2 C1 P1 117.6(9) .
C51 C46 C37 120.1(12) .
C51 C46 C47 120.1(12) .
C47 C46 C37 119.9(13) .
C74 C75 H75 120.3 .
C74 C75 C76 119.4(14) .
C76 C75 H75 120.3 .
C1 C2 H2 117.5 .
C3 C2 C1 125.0(12) .
C3 C2 H2 117.5 .
C72 C71 C80 118.5(11) .
C70 C71 C72 124.3(11) .
C70 C71 C80 117.0(11) .
C73 C72 C71 127.1(12) .
C73 C72 H72 116.4 .
C71 C72 H72 116.4 .
C4 C3 C12 116.0(11) .
C2 C3 C4 125.5(12) .
C2 C3 C12 118.5(11) .
C45 C40 C35 121.1(12) .
C41 C40 C45 117.1(13) .
C41 C40 C35 121.6(12) .
C12 C17 H17 119.8 .
C16 C17 C12 120.5(15) .
C16 C17 H17 119.8 .
C6 C7 H7 119.6 .
C6 C7 C8 120.8(13) .
C8 C7 H7 119.6 .
C46 C51 H51 119.5 .
C46 C51 C50 121.0(14) .
C50 C51 H51 119.5 .
C38 C37 C46 118.0(11) .
C38 C37 C36 126.0(11) .
C36 C37 C46 115.9(11) .
C53 C54 C63 117.7(13) .
C53 C54 C55 124.0(12) .
C55 C54 C63 118.2(12) .
C8 C9 H9 120.4 .
C10 C9 H9 120.4 .
C10 C9 C8 119.1(14) .
C19 C18 P2 120.2(13) .
C19 C18 C23 120.3(15) .
C23 C18 P2 119.5(10) .
C81 C80 C71 122.6(12) .
C81 C80 C85 119.2(12) .
C85 C80 C71 118.1(12) .
C43 C42 H42 119.2 .
C43 C42 C41 121.6(14) .
C41 C42 H42 119.2 .
C57 C62 C56 122.9(15) .
C57 C62 C61 118.0(16) .
C61 C62 C56 118.6(14) .
C75 C74 C73 119.9(13) .
C75 C74 C79 119.5(13) .
C79 C74 C73 120.5(12) .
C4 C5 P1 119.7(10) .
C4 C5 C6 120.2(11) .
C6 C5 P1 120.1(9) .
C17 C16 H16 120.2 .
C15 C16 C17 119.5(15) .
C15 C16 H16 120.2 .
C62 C56 P4 118.9(10) .
C55 C56 P4 119.0(11) .
C55 C56 C62 122.2(14) .
C71 C70 H70 117.6 .
C71 C70 C69 124.8(12) .
C69 C70 H70 117.6 .
C64 C63 C54 122.4(13) .
C64 C63 C68 118.6(13) .
C68 C63 C54 118.9(13) .
C51 C50 H50 120.5 .
C49 C50 C51 119.1(15) .
C49 C50 H50 120.5 .
O4 C52 P4 120.2(11) .
O4 C52 C53 122.5(13) .
C53 C52 P4 117.2(10) .
C83 C82 H82 120.0 .
C83 C82 C81 119.9(15) .
C81 C82 H82 120.0 .
C18 C19 H19 117.1 .
C18 C19 C20 125.8(17) .
C20 C19 H19 117.1 .
C82 C83 H83 120.2 .
C84 C83 C82 119.6(13) .
C84 C83 H83 120.2 .
C54 C53 C52 125.3(12) .
C54 C53 H53 117.3 .
C52 C53 H53 117.3 .
C11 C6 C5 119.7(11) .
C7 C6 C11 119.3(12) .
C7 C6 C5 121.0(11) .
C74 C79 H79 119.2 .
C78 C79 C74 121.6(14) .
C78 C79 H79 119.2 .
O5 C69 P5 119.8(10) .
O5 C69 C70 122.6(12) .
C70 C69 P5 117.6(9) .
C79 C78 H78 120.6 .
C79 C78 C77 118.8(15) .
C77 C78 H78 120.6 .
C46 C47 H47 121.1 .
C48 C47 C46 117.9(14) .
C48 C47 H47 121.1 .
C54 C55 H55 116.0 .
C56 C55 C54 128.0(13) .
C56 C55 H55 116.0 .
C80 C81 C82 120.6(14) .
C80 C81 H81 119.7 .
C82 C81 H81 119.7 .
C7 C8 H8 120.0 .
C9 C8 C7 120.1(15) .
C9 C8 H8 120.0 .
C47 C48 H48 118.6 .
C49 C48 C47 122.8(15) .
C49 C48 H48 118.6 .
C11 C10 H10 119.2 .
C9 C10 C11 121.7(14) .
C9 C10 H10 119.2 .
C12 C13 H13 120.8 .
C12 C13 C14 118.5(14) .
C14 C13 H13 120.8 .
C50 C49 H49 120.5 .
C48 C49 C50 119.0(14) .
C48 C49 H49 120.5 .
C63 C64 H64 119.1 .
C65 C64 C63 121.8(17) .
C65 C64 H64 119.1 .
C80 C85 H85 120.3 .
C84 C85 C80 119.5(13) .
C84 C85 H85 120.3 .
C28 C23 C18 122.0(14) .
C24 C23 C18 121.5(16) .
C24 C23 C28 116.5(16) .
C83 C84 C85 121.1(13) .
C83 C84 H84 119.4 .
C85 C84 H84 119.4 .
C66 C67 H67 120.6 .
C68 C67 H67 120.6 .
C68 C67 C66 118.8(16) .
C22 C21 H21 117.1 .
C20 C21 H21 117.1 .
C20 C21 C22 125.9(16) .
O2 C22 P2 120.1(13) .
O2 C22 C21 121.6(16) .
C21 C22 P2 118.2(14) .
C75 C76 H76 119.3 .
C77 C76 C75 121.4(15) .
C77 C76 H76 119.3 .
C23 C28 H28 119.5 .
C27 C28 C23 120.9(17) .
C27 C28 H28 119.5 .
C28 C27 H27 119.8 .
C26 C27 C28 120(2) .
C26 C27 H27 119.8 .
C42 C43 H43 121.1 .
C44 C43 C42 117.8(15) .
C44 C43 H43 121.1 .
C78 C77 H77 120.4 .
C76 C77 C78 119.2(15) .
C76 C77 H77 120.4 .
C16 C15 H15 119.0 .
C16 C15 C14 122.1(15) .
C14 C15 H15 119.0 .
C67 C66 H66 119.9 .
C65 C66 C67 120.3(16) .
C65 C66 H66 119.9 .
C62 C57 H57 121.6 .
C62 C57 C58 116.9(19) .
C58 C57 H57 121.6 .
C63 C68 H68 119.4 .
C67 C68 C63 121.1(15) .
C67 C68 H68 119.4 .
C23 C24 H24 119.1 .
C25 C24 C23 121.7(19) .
C25 C24 H24 119.1 .
C34 C29 C20 120(3) .
C30 C29 C20 123(3) .
C30 C29 C34 117(2) .
C19 C20 C29 116.5(19) .
C21 C20 C19 124.7(15) .
C21 C20 C29 118.8(18) .
C57 C58 H58 117.2 .
C59 C58 C57 126(2) .
C59 C58 H58 117.2 .
C24 C25 H25 119.8 .
C24 C25 C26 120.4(18) .
C26 C25 H25 119.8 .
C27 C26 C25 120.1(19) .
C27 C26 H26 120.0 .
C25 C26 H26 120.0 .
C40 C45 H45 120.2 .
C40 C45 C44 119.5(16) .
C44 C45 H45 120.2 .
C62 C61 H61 122.1 .
C60 C61 C62 116(2) .
C60 C61 H61 122.1 .
C13 C14 H14 120.3 .
C15 C14 C13 119.4(15) .
C15 C14 H14 120.3 .
C34 C33 H33 120.9 .
C32 C33 H33 120.9 .
C32 C33 C34 118(3) .
C43 C44 C45 122.1(16) .
C43 C44 H44 118.9 .
C45 C44 H44 118.9 .
C64 C65 C66 119.3(17) .
C64 C65 H65 120.4 .
C66 C65 H65 120.4 .
C58 C59 H59 123.3 .
C58 C59 C60 113.5(19) .
C60 C59 H59 123.3 .
C29 C34 H34 119.5 .
C33 C34 C29 121(3) .
C33 C34 H34 119.5 .
C29 C30 H30 118.1 .
C29 C30 C31 124(3) .
C31 C30 H30 118.1 .
C33 C32 H32 117.7 .
C33 C32 C31 125(2) .
C31 C32 H32 117.7 .
C37 C38 H38 118.0 .
C37 C38 C39 124.1(12) .
C39 C38 H38 118.0 .
C40 C41 H41 119.1 .
C42 C41 C40 121.8(14) .
C42 C41 H41 119.1 .
C40 C35 P3 118.9(9) .
C36 C35 P3 120.2(9) .
C36 C35 C40 120.8(12) .
C37 C36 H36 117.1 .
C35 C36 C37 125.8(11) .
C35 C36 H36 117.1 .
O3 C39 P3 117.7(11) .
O3 C39 C38 123.5(13) .
C38 C39 P3 118.8(10) .
Cl2 C7BA Cl0A 112.3(14) .
Cl2 C7BA H7BA 109.1 .
Cl2 C7BA H7BB 109.1 .
Cl0A C7BA H7BA 109.1 .
Cl0A C7BA H7BB 109.1 .
H7BA C7BA H7BB 107.9 .
S1 C8AA H8AA 109.5 .
S1 C8AA H8AB 109.5 .
S1 C8AA H8AC 109.5 .
H8AA C8AA H8AB 109.5 .
H8AA C8AA H8AC 109.5 .
H8AB C8AA H8AC 109.5 .
S1 C0AA H0AA 109.5 .
S1 C0AA H0AB 109.5 .
S1 C0AA H0AC 109.5 .
H0AA C0AA H0AB 109.5 .
H0AA C0AA H0AC 109.5 .
H0AB C0AA H0AC 109.5 .
H6AA C6AA H6AB 109.5 .
H6AA C6AA H6AC 109.5 .
H6AB C6AA H6AC 109.5 .
C3AA C6AA H6AA 109.5 .
C3AA C6AA H6AB 109.5 .
C3AA C6AA H6AC 109.5 .
C6AA C3AA H3AA 107.6 .
C6AA C3AA H3AB 107.6 .
C6AA C3AA C7AA 119(2) .
H3AA C3AA H3AB 107.0 .
C7AA C3AA H3AA 107.6 .
C7AA C3AA H3AB 107.6 .
C3AA C7AA H7AA 108.0 .
C3AA C7AA H7AB 108.0 .
C7AA C7AA C3AA 117(3) 3_676
C7AA C7AA H7AA 108.0 3_676
C7AA C7AA H7AB 108.0 3_676
H7AA C7AA H7AB 107.2 .
C61 C60 H60 117.0 .
C59 C60 C61 126(2) .
C59 C60 H60 117.0 .
C30 C31 C32 115(3) .
C30 C31 H31 122.3 .
C32 C31 H31 122.3 .
Cl1A C1BA Cl2A 112.8(18) .
Cl1A C1BA H1BA 109.0 .
Cl1A C1BA H1BB 109.0 .
Cl2A C1BA H1BA 109.0 .
Cl2A C1BA H1BB 109.0 .
H1BA C1BA H1BB 107.8 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au6 Au1 3.2381(7) .
Au6 P1 2.313(3) .
Au6 P5 2.314(3) .
Au4 Au1 3.1301(7) .
Au4 P4 2.322(3) .
Au4 P3 2.321(3) .
Au2 Au1 3.1424(7) .
Au2 P1 2.316(3) .
Au2 P2 2.305(3) .
Au3 Au1 3.2960(7) .
Au3 P3 2.314(3) .
Au3 P2 2.324(4) .
Au5 Au1 3.2908(7) .
Au5 P5 2.319(3) .
Au5 P4 2.319(3) .
Au1 Cl1 2.298(3) .
Au1 S1 2.290(4) .
P1 C1 1.827(14) .
P1 C5 1.810(13) .
P5 C73 1.814(13) .
P5 C69 1.845(14) .
P4 C56 1.820(15) .
P4 C52 1.835(14) .
P3 C35 1.811(14) .
P3 C39 1.845(14) .
P2 C18 1.806(16) .
P2 C22 1.811(17) .
S1 C8AA 1.780(17) .
S1 C0AA 1.783(19) .
O3 C39 1.227(16) .
O4 C52 1.268(17) .
O5 C69 1.224(16) .
O1 C1 1.204(16) .
C4 H4 0.9300 .
C4 C3 1.459(17) .
C4 C5 1.353(17) .
C12 C3 1.512(17) .
C12 C17 1.39(2) .
C12 C13 1.400(19) .
C73 C72 1.349(17) .
C73 C74 1.505(18) .
C11 H11 0.9300 .
C11 C6 1.405(17) .
C11 C10 1.38(2) .
C1 C2 1.483(18) .
C46 C51 1.374(19) .
C46 C37 1.512(17) .
C46 C47 1.392(19) .
C75 H75 0.9300 .
C75 C74 1.370(19) .
C75 C76 1.40(2) .
C2 H2 0.9300 .
C2 C3 1.336(18) .
C71 C72 1.429(18) .
C71 C80 1.486(16) .
C71 C70 1.368(17) .
C72 H72 0.9300 .
O2 C22 1.22(2) .
C40 C45 1.40(2) .
C40 C41 1.38(2) .
C40 C35 1.497(17) .
C17 H17 0.9300 .
C17 C16 1.38(2) .
C7 H7 0.9300 .
C7 C6 1.382(17) .
C7 C8 1.38(2) .
C51 H51 0.9300 .
C51 C50 1.39(2) .
C37 C38 1.360(19) .
C37 C36 1.455(17) .
C54 C63 1.490(17) .
C54 C53 1.34(2) .
C54 C55 1.435(19) .
C9 H9 0.9300 .
C9 C8 1.38(2) .
C9 C10 1.38(2) .
C18 C19 1.34(2) .
C18 C23 1.46(2) .
C80 C81 1.36(2) .
C80 C85 1.400(18) .
C42 H42 0.9300 .
C42 C43 1.37(2) .
C42 C41 1.37(2) .
C62 C56 1.478(18) .
C62 C57 1.35(2) .
C62 C61 1.44(2) .
C74 C79 1.375(19) .
C5 C6 1.483(16) .
C16 H16 0.9300 .
C16 C15 1.35(3) .
C56 C55 1.339(19) .
C70 H70 0.9300 .
C70 C69 1.470(17) .
C63 C64 1.38(2) .
C63 C68 1.42(2) .
C50 H50 0.9300 .
C50 C49 1.38(2) .
C52 C53 1.462(19) .
C82 H82 0.9300 .
C82 C83 1.39(2) .
C82 C81 1.395(18) .
C19 H19 0.9300 .
C19 C20 1.45(2) .
C83 H83 0.9300 .
C83 C84 1.34(2) .
C53 H53 0.9300 .
C79 H79 0.9300 .
C79 C78 1.37(2) .
C78 H78 0.9300 .
C78 C77 1.42(2) .
C47 H47 0.9300 .
C47 C48 1.37(2) .
C55 H55 0.9300 .
C81 H81 0.9300 .
C8 H8 0.9300 .
C48 H48 0.9300 .
C48 C49 1.37(2) .
C10 H10 0.9300 .
C13 H13 0.9300 .
C13 C14 1.40(2) .
C49 H49 0.9300 .
C64 H64 0.9300 .
C64 C65 1.37(2) .
C85 H85 0.9300 .
C85 C84 1.397(19) .
C23 C28 1.42(2) .
C23 C24 1.41(2) .
C84 H84 0.9300 .
C67 H67 0.9300 .
C67 C66 1.41(3) .
C67 C68 1.37(2) .
C21 H21 0.9300 .
C21 C22 1.44(2) .
C21 C20 1.34(3) .
C76 H76 0.9300 .
C76 C77 1.34(2) .
C28 H28 0.9300 .
C28 C27 1.42(2) .
C27 H27 0.9300 .
C27 C26 1.34(3) .
C43 H43 0.9300 .
C43 C44 1.36(3) .
C77 H77 0.9300 .
C15 H15 0.9300 .
C15 C14 1.39(3) .
C66 H66 0.9300 .
C66 C65 1.41(3) .
C57 H57 0.9300 .
C57 C58 1.43(3) .
C68 H68 0.9300 .
C24 H24 0.9300 .
C24 C25 1.38(3) .
C29 C20 1.48(2) .
C29 C34 1.44(4) .
C29 C30 1.38(4) .
C58 H58 0.9300 .
C58 C59 1.26(3) .
C25 H25 0.9300 .
C25 C26 1.41(3) .
C26 H26 0.9300 .
C45 H45 0.9300 .
C45 C44 1.40(2) .
C61 H61 0.9300 .
C61 C60 1.38(3) .
C14 H14 0.9300 .
C33 H33 0.9300 .
C33 C34 1.39(3) .
C33 C32 1.35(4) .
C44 H44 0.9300 .
C65 H65 0.9300 .
C59 H59 0.9300 .
C59 C60 1.33(3) .
C34 H34 0.9300 .
C30 H30 0.9300 .
C30 C31 1.40(3) .
C32 H32 0.9300 .
C32 C31 1.41(4) .
C38 H38 0.9300 .
C38 C39 1.436(18) .
C41 H41 0.9300 .
C35 C36 1.338(17) .
C36 H36 0.9300 .
Cl2 C7BA 1.74(3) .
Cl0A C7BA 1.80(2) .
Cl1A C1BA 1.70(3) .
C7BA H7BA 0.9700 .
C7BA H7BB 0.9700 .
Cl2A C1BA 1.77(3) .
C8AA H8AA 0.9600 .
C8AA H8AB 0.9600 .
C8AA H8AC 0.9600 .
C0AA H0AA 0.9600 .
C0AA H0AB 0.9600 .
C0AA H0AC 0.9600 .
C6AA H6AA 0.9600 .
C6AA H6AB 0.9600 .
C6AA H6AC 0.9600 .
C6AA C3AA 1.48(3) .
C3AA H3AA 0.9700 .
C3AA H3AB 0.9700 .
C3AA C7AA 1.55(3) .
C7AA C7AA 1.35(4) 3_676
C7AA H7AA 0.9700 .
C7AA H7AB 0.9700 .
C60 H60 0.9300 .
C31 H31 0.9300 .
C1BA H1BA 0.9700 .
C1BA H1BB 0.9700 .
