# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_SD_R_Au8c
_database_code_depnum_ccdc_archive 'CCDC 2142060'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_audit_creation_date             2021-10-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C146 H106 Au8 O4 P6 S2, 2(C H O3)'
_chemical_formula_sum            'C148 H108 Au8 O10 P6 S2'
_chemical_formula_weight         3872.01
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         AuP
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'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   18.8119(2)
_cell_length_b                   27.6970(2)
_cell_length_c                   31.3398(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     16329.1(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    30322
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      75.5660
_cell_measurement_theta_min      2.6960
_shelx_estimated_absorpt_T_max   0.870
_shelx_estimated_absorpt_T_min   0.534
_exptl_absorpt_coefficient_mu    14.326
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.09039
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.25a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.575
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             7320
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0863
_diffrn_reflns_av_unetI/netI     0.0788
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -37
_diffrn_reflns_number            70011
_diffrn_reflns_point_group_measured_fraction_full 0.985
_diffrn_reflns_point_group_measured_fraction_max 0.985
_diffrn_reflns_theta_full        67.077
_diffrn_reflns_theta_max         67.077
_diffrn_reflns_theta_min         2.740
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -119.00 -65.00   1.00    0.50    --  -48.45-135.00 -60.00   54
  2  ω   -120.00 -70.00   1.00    0.50    --  -48.45-125.00-180.00   50
  3  ω    -23.00  61.00   1.00    0.50    --   48.45 -38.00 -60.00   84
  4  ω    -81.00 -13.00   1.00    3.20    --  -86.25  36.00 -38.00   68
  5  ω     87.00 158.00   1.00    3.20    --  106.49 134.00-173.00   71
  6  ω     98.00 176.00   1.00    3.20    --  106.49  85.00 121.00   78
  7  ω     37.00 121.00   1.00    3.20    --  106.49 -57.00  90.00   84
  8  ω     93.00 177.00   1.00    3.20    --  106.49 125.00-150.00   84
  9  ω     92.00 167.00   1.00    3.20    --  106.49 125.00  60.00   75
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0173744000
_diffrn_orient_matrix_UB_12      -0.0227613000
_diffrn_orient_matrix_UB_13      -0.0435780000
_diffrn_orient_matrix_UB_21      -0.0336678000
_diffrn_orient_matrix_UB_22      -0.0437305000
_diffrn_orient_matrix_UB_23      0.0226918000
_diffrn_orient_matrix_UB_31      -0.0726737000
_diffrn_orient_matrix_UB_32      0.0257224000
_diffrn_orient_matrix_UB_33      -0.0000936000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.842
_reflns_Friedel_fraction_full    0.973
_reflns_Friedel_fraction_max     0.973
_reflns_number_gt                25197
_reflns_number_total             28707
_reflns_odcompleteness_completeness 99.47
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         3.335
_refine_diff_density_min         -3.181
_refine_diff_density_rms         0.260
_refine_ls_abs_structure_details 
;
 Flack x determined using 9624 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.012(12)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1399
_refine_ls_number_reflns         28707
_refine_ls_number_restraints     973
_refine_ls_R_factor_all          0.0918
_refine_ls_R_factor_gt           0.0815
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1510P)²+172.2397P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2257
_refine_ls_wR_factor_ref         0.2437
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, H7 of O7
 At 1.5 times of:
  H2 of O2, H4A of O4, H5A of O5
2. Restrained distances
 O10-C119 = O6-C118
 1.25 with sigma of 0.01
 C1-C47
 1.45 with sigma of 0.01
 C16-C137
 1.45 with sigma of 0.01
 O5-O8 \\sim O5-O10 \\sim O8-O10
 with sigma of 0.02
 C118-O3 \\sim C118-O4 \\sim C118-O6
 with sigma of 0.01
 C119-O5 \\sim C119-O8 \\sim C119-O10
 with sigma of 0.01
3. Uiso/Uaniso restraints and constraints
C148 \\sim C29: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C100 \\sim C101 \\sim C102 \\sim C103 \\sim C104 \\sim C105: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C30 \\sim C57 \\sim C66 \\sim C79 \\sim C80 \\sim C81 \\sim C82 \\sim C83 \\sim
C84 \\sim C113: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C16 \\sim C27 \\sim C44 \\sim C62 \\sim C74 \\sim C77 \\sim C90 \\sim C115
\\sim C128 \\sim C129 \\sim C130 \\sim C131 \\sim C132 \\sim C133 \\sim C134
\\sim C135 \\sim C136 \\sim C137 \\sim C149 \\sim C150: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C122 \\sim C123 \\sim C124 \\sim C125 \\sim C126 \\sim C127: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C68 \\sim C69 \\sim C70 \\sim C71 \\sim C72 \\sim C73: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C7 \\sim C8 \\sim C9 \\sim C10 \\sim C11 \\sim C12: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C60 \\sim C75 \\sim C86 \\sim C99 \\sim C110 \\sim C112: within 2A with sigma
of 0.004 and sigma for terminal atoms of 0.008 within 2A
C5 \\sim C43 \\sim C63 \\sim C67 \\sim C88 \\sim C145: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C33 \\sim C45 \\sim C53 \\sim C56 \\sim C78 \\sim C98: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C2 \\sim C3 \\sim C64 \\sim C108 \\sim C114 \\sim C144: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C138 \\sim C139 \\sim C140 \\sim C141 \\sim C142 \\sim C143: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
C13 \\sim C17 \\sim C18 \\sim C19 \\sim C20 \\sim C21 \\sim C22 \\sim C23 \\sim
C24 \\sim C25 \\sim C26 \\sim C31 \\sim C41 \\sim C55 \\sim C61 \\sim C65 \\sim
C76 \\sim C85 \\sim C109 \\sim C147: within 2A with sigma of 0.004 and sigma
for terminal atoms of 0.008 within 2A
C34 \\sim C35 \\sim C36 \\sim C37 \\sim C38 \\sim C39: within 2A with sigma of
0.004 and sigma for terminal atoms of 0.008 within 2A
C6 \\sim C15 \\sim C40 \\sim C49 \\sim C52 \\sim C54 \\sim C87 \\sim C106 \\sim
C116 \\sim C117: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
O3 \\sim O4 \\sim O5 \\sim O6 \\sim O8 \\sim O10 \\sim C118 \\sim C119: within
2A with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
O1 \\sim O2 \\sim C1 \\sim C14 \\sim C28 \\sim C47 \\sim C48 \\sim C51 \\sim
C89: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008 within
2A
O7 \\sim O9 \\sim C92 \\sim C93 \\sim C94 \\sim C95 \\sim C96 \\sim C97 \\sim
C107: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008
within 2A
C146 \\sim C50: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
Uanis(C143) \\sim Ueq, Uanis(C125) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.008
Uanis(C37) \\sim Ueq, Uanis(C8) \\sim Ueq: with sigma of 0.01 and sigma for
terminal atoms of 0.008
Uanis(C119) \\sim Ueq, Uanis(O6) \\sim Ueq: with sigma of 0.02 and sigma for
terminal atoms of 0.2
4.a Aromatic/amide H refined with riding coordinates:
 C2(H2A), C3(H3), C4(H4), C5(H5), C7(H7A), C8(H8), C9(H9), C10(H10), C11(H11),
 C13(H13), C19(H19), C20(H20), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27),
  C28(H28), C30(H30), C31(H31), C34(H34), C36(H36), C37(H37), C38(H38),
 C39(H39), C41(H41), C42(H42), C45(H45), C48(H48), C49(H49), C50(H50), C51(H51),
  C53(H53), C54(H54), C55(H55), C56(H56), C59(H59), C62(H62), C63(H63),
 C64(H64), C65(H65), C66(H66), C67(H67), C69(H69), C70(H70), C71(H71), C72(H72),
  C73(H73), C78(H78), C81(H81), C82(H82), C83(H83), C84(H84), C87(H87),
 C88(H88), C89(H89), C90(H90), C94(H94), C95(H95), C96(H96), C97(H97), C98(H98),
  C99(H99), C75(H75), C86(H86), C112(H112), C110(H110), C100(H100), C101(H101),
 C102(H102), C104(H104), C105(H105), C106(H106), C108(H108), C109(H109),
 C114(H114), C115(H115), C116(H116), C117(H117), C122(H122), C123(H123),
 C125(H125), C126(H126), C127(H127), C128(H128), C129(H129), C130(H130),
 C131(H131), C134(H134), C135(H135), C138(H138), C139(H139), C140(H140),
 C142(H142), C143(H143), C145(H145), C146(H146), C148(H148), C58(H58),
 C111(H111), C91(H91), C32(H32), C149(H149), C150(H150)
4.b Fitted hexagon refined as free rotating group:
 C7(C8,C9,C10,C11,C12), C34(C35,C36,C37,C38,C39), C68(C69,C70,C71,C72,C73),
 C79(C80,C81,C82,C83,C84), C92(C93,C94,C95,C96,C97), C99(C60,C75,C86,C112,C110),
  C100(C101,C102,C103,C104,C105), C122(C123,C124,C125,C126,C127), C138(C139,
 C140,C141,C142,C143), C148(C58,C111,C91,C32,C29)
4.c Tetrahedral OH refined with riding coordinates:
 O2(H2), O4(H4A), O5(H5A), O7(H7)
4.d Naphthalene refined as free rotating group:
 C17(C18,C19,C20,C21,C22,C23,C24,C25,C26), C128(C129,C130,C131,C132,C133,C134,
 C135,C136,C137)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.75551(7) 0.54894(4) 0.68755(4) 0.0512(3) Uani 1 1 d . . . . .
Au2 Au 0.79153(7) 0.64356(4) 0.65450(4) 0.0512(3) Uani 1 1 d . . . . .
Au3 Au 0.71528(8) 0.72230(4) 0.63363(4) 0.0605(4) Uani 1 1 d . . . . .
Au4 Au 0.67471(7) 0.66294(4) 0.69883(4) 0.0572(3) Uani 1 1 d . . . . .
Au5 Au 0.79337(6) 0.72748(3) 0.71070(3) 0.0441(2) Uani 1 1 d . . . . .
Au6 Au 0.78829(6) 0.64750(3) 0.75689(3) 0.0439(3) Uani 1 1 d . . . . .
Au7 Au 0.65278(7) 0.65343(4) 0.80727(5) 0.0593(3) Uani 1 1 d . . . . .
Au8 Au 0.75686(6) 0.73166(3) 0.79331(4) 0.0468(3) Uani 1 1 d . . . . .
S1 S 0.7880(4) 0.56145(18) 0.7587(2) 0.0460(13) Uani 1 1 d . . . . .
S2 S 0.5763(5) 0.6589(3) 0.7473(3) 0.073(2) Uani 1 1 d . . . . .
P1 P 0.7026(6) 0.5353(3) 0.6231(3) 0.078(3) Uani 1 1 d . . . . .
P2 P 0.8942(5) 0.6121(2) 0.6246(2) 0.0555(18) Uani 1 1 d . . . . .
P3 P 0.6622(6) 0.7840(3) 0.5980(3) 0.071(3) Uani 1 1 d . . . . .
P4 P 0.8405(4) 0.7970(2) 0.6841(2) 0.0503(16) Uani 1 1 d . . . . .
P5 P 0.7151(4) 0.7888(2) 0.8399(2) 0.0534(16) Uani 1 1 d . . . . .
P6 P 0.7120(5) 0.6390(2) 0.8700(3) 0.066(2) Uani 1 1 d . . . . .
O1 O 0.8331(12) 0.4118(7) 0.7925(9) 0.072(5) Uani 1 1 d . U . . .
O2 O 0.7748(12) 0.4596(7) 0.7486(9) 0.068(5) Uani 1 1 d . U . . .
H2 H 0.759673 0.434771 0.737554 0.102 Uiso 1 1 calc R U . . .
O3 O 0.3303(15) 0.8966(8) 0.7444(14) 0.109(8) Uani 1 1 d D U . . .
O4 O 0.3611(15) 0.8209(10) 0.7391(15) 0.116(8) Uani 1 1 d D U . . .
H4A H 0.351875 0.799110 0.722328 0.174 Uiso 1 1 calc R U . . .
O5 O 0.3181(18) 0.7285(11) 0.7169(11) 0.121(8) Uani 1 1 d D U . . .
H5A H 0.342406 0.704272 0.720421 0.182 Uiso 1 1 calc R U . . .
O6 O 0.2488(13) 0.8383(9) 0.7274(13) 0.109(8) Uani 1 1 d D U . . .
O7 O 0.3799(17) 0.6215(10) 0.6892(18) 0.140(9) Uani 1 1 d . U . . .
H7 H 0.354092 0.644896 0.685180 0.168 Uiso 1 1 calc R U . . .
O8 O 0.2784(19) 0.6822(11) 0.6645(13) 0.123(8) Uani 1 1 d D U . . .
O9 O 0.4167(16) 0.6623(10) 0.7485(17) 0.135(9) Uani 1 1 d . U . . .
O10 O 0.2302(17) 0.7543(10) 0.6757(13) 0.121(8) Uani 1 1 d D U . . .
C1 C 0.8813(14) 0.4858(9) 0.7785(12) 0.060(3) Uani 1 1 d D U . . .
C2 C 0.726(2) 0.8475(10) 0.7147(10) 0.067(4) Uani 1 1 d . U . . .
H2A H 0.699440 0.819848 0.708975 0.081 Uiso 1 1 calc R U . . .
C3 C 0.836(2) 0.8959(10) 0.7138(10) 0.068(4) Uani 1 1 d . U . . .
H3 H 0.883991 0.898012 0.707194 0.082 Uiso 1 1 calc R U . . .
C4 C 0.985(2) 0.8256(11) 0.6777(11) 0.065(8) Uani 1 1 d . . . . .
H4 H 0.975516 0.834275 0.649628 0.078 Uiso 1 1 calc R U . . .
C5 C 0.770(2) 0.8713(10) 0.8833(10) 0.064(4) Uani 1 1 d . U . . .
H5 H 0.735521 0.867162 0.904130 0.076 Uiso 1 1 calc R U . . .
C6 C 0.929(2) 0.7226(11) 0.8792(11) 0.067(3) Uani 1 1 d . U . . .
C7 C 0.7011(13) 0.5423(9) 0.8483(9) 0.091(5) Uani 1 1 d G U . . .
H7A H 0.661001 0.552967 0.833702 0.109 Uiso 1 1 calc R U . . .
C8 C 0.7189(15) 0.4936(8) 0.8478(9) 0.091(5) Uani 1 1 d G U . . .
H8 H 0.690691 0.471671 0.833007 0.109 Uiso 1 1 calc R U . . .
C9 C 0.7788(15) 0.4776(6) 0.8696(10) 0.092(5) Uani 1 1 d G U . . .
H9 H 0.790704 0.444970 0.869327 0.110 Uiso 1 1 calc R U . . .
C10 C 0.8209(13) 0.5103(8) 0.8918(9) 0.091(5) Uani 1 1 d G U . . .
H10 H 0.861029 0.499565 0.906342 0.110 Uiso 1 1 calc R U . . .
C11 C 0.8031(15) 0.5590(8) 0.8922(9) 0.090(5) Uani 1 1 d G U . . .
H11 H 0.831341 0.580861 0.907037 0.109 Uiso 1 1 calc R U . . .
C12 C 0.7432(16) 0.5750(6) 0.8704(10) 0.089(5) Uani 1 1 d G U . . .
C13 C 0.830(3) 0.4224(11) 0.6155(12) 0.076(4) Uani 1 1 d . U . . .
H13 H 0.797760 0.429480 0.594002 0.092 Uiso 1 1 calc R U . . .
C14 C 0.8772(16) 0.5385(10) 0.7703(12) 0.059(3) Uani 1 1 d . U . . .
C15 C 0.795(2) 0.7185(10) 0.8994(11) 0.066(4) Uani 1 1 d . U . . .
C16 C 0.7590(18) 0.8602(12) 0.6089(12) 0.080(3) Uani 1 1 d D U . . .
C17 C 0.8299(12) 0.5157(7) 0.5755(4) 0.083(3) Uani 1 1 d G U . . .
C18 C 0.7604(12) 0.5326(7) 0.5740(6) 0.083(4) Uani 1 1 d G U . . .
C19 C 0.7274(10) 0.5400(7) 0.5349(7) 0.086(4) Uani 1 1 d G U . . .
H19 H 0.680877 0.551279 0.533851 0.103 Uiso 1 1 calc R U . . .
C20 C 0.7639(11) 0.5305(7) 0.4972(6) 0.088(4) Uani 1 1 d G U . . .
H20 H 0.741847 0.535463 0.471040 0.105 Uiso 1 1 calc R U . . .
C21 C 0.8335(10) 0.5136(5) 0.4987(4) 0.089(4) Uani 1 1 d G U . . .
C22 C 0.8665(10) 0.5062(5) 0.5379(4) 0.087(4) Uani 1 1 d G U . . .
C23 C 0.9360(10) 0.4893(7) 0.5394(6) 0.090(4) Uani 1 1 d G U . . .
H23 H 0.958099 0.484383 0.565560 0.107 Uiso 1 1 calc R U . . .
C24 C 0.9725(10) 0.4799(7) 0.5017(7) 0.091(4) Uani 1 1 d G U . . .
H24 H 1.019072 0.468566 0.502750 0.109 Uiso 1 1 calc R U . . .
C25 C 0.9395(12) 0.4873(7) 0.4626(6) 0.092(4) Uani 1 1 d G U . . .
H25 H 0.963982 0.480926 0.437426 0.110 Uiso 1 1 calc R U . . .
C26 C 0.8700(12) 0.5041(7) 0.4611(4) 0.091(4) Uani 1 1 d G U . . .
H26 H 0.847920 0.509103 0.434912 0.109 Uiso 1 1 calc R U . . .
C27 C 0.635(2) 0.8790(13) 0.6193(12) 0.078(4) Uani 1 1 d . U . . .
H27 H 0.588247 0.867865 0.620785 0.094 Uiso 1 1 calc R U . . .
C28 C 0.9288(16) 0.5690(10) 0.7778(11) 0.059(3) Uani 1 1 d . U . . .
H28 H 0.922891 0.602124 0.774183 0.071 Uiso 1 1 calc R U . . .
C30 C 0.629(3) 0.7898(12) 0.9126(11) 0.085(5) Uani 1 1 d . U . . .
H30 H 0.597369 0.807260 0.895994 0.102 Uiso 1 1 calc R U . . .
C31 C 0.918(2) 0.4045(11) 0.6821(12) 0.076(4) Uani 1 1 d . U . . .
H31 H 0.945779 0.397175 0.705657 0.091 Uiso 1 1 calc R U . . .
C33 C 0.632(2) 0.8182(11) 0.8175(14) 0.076(5) Uani 1 1 d . U . . .
C34 C 0.8596(15) 0.6439(11) 0.5455(10) 0.100(6) Uani 1 1 d G U . . .
H34 H 0.819974 0.657511 0.558481 0.120 Uiso 1 1 calc R U . . .
C35 C 0.9093(18) 0.6190(12) 0.5699(7) 0.100(6) Uani 1 1 d G U . . .
C36 C 0.9686(16) 0.5986(11) 0.5504(10) 0.100(6) Uani 1 1 d G U . . .
H36 H 1.001853 0.582003 0.566728 0.121 Uiso 1 1 calc R U . . .
C37 C 0.9782(15) 0.6032(11) 0.5066(10) 0.101(6) Uani 1 1 d G U . . .
H37 H 1.017835 0.589538 0.493627 0.121 Uiso 1 1 calc R U . . .
C38 C 0.9285(18) 0.6280(12) 0.4823(7) 0.100(6) Uani 1 1 d G U . . .
H38 H 0.934886 0.631059 0.452953 0.120 Uiso 1 1 calc R U . . .
C39 C 0.8692(16) 0.6484(10) 0.5017(10) 0.100(6) Uani 1 1 d G U . . .
H39 H 0.835956 0.665046 0.485379 0.120 Uiso 1 1 calc R U . . .
C40 C 0.871(2) 0.7403(11) 0.8986(11) 0.067(3) Uani 1 1 d . U . . .
C41 C 0.962(2) 0.4865(11) 0.6830(12) 0.076(4) Uani 1 1 d . U . . .
H41 H 0.996567 0.478043 0.702920 0.091 Uiso 1 1 calc R U . . .
C42 C 0.9477(18) 0.7859(10) 0.7433(9) 0.055(7) Uani 1 1 d . . . . .
H42 H 0.913103 0.769606 0.758866 0.066 Uiso 1 1 calc R U . . .
C43 C 0.775(2) 0.8386(10) 0.8463(10) 0.063(4) Uani 1 1 d . U . . .
C44 C 0.771(2) 0.9101(14) 0.6165(13) 0.079(3) Uani 1 1 d . U . . .
C45 C 0.611(2) 0.8629(11) 0.8278(14) 0.077(5) Uani 1 1 d . U . . .
H45 H 0.641021 0.880223 0.845583 0.092 Uiso 1 1 calc R U . . .
C46 C 0.9327(17) 0.8035(9) 0.7031(9) 0.053(7) Uani 1 1 d . . . . .
C47 C 0.8257(14) 0.4498(9) 0.7716(12) 0.062(3) Uani 1 1 d D U . . .
C48 C 0.9940(16) 0.5492(10) 0.7918(12) 0.061(3) Uani 1 1 d . U . . .
H48 H 1.031081 0.570665 0.796591 0.073 Uiso 1 1 calc R U . . .
C49 C 0.854(2) 0.6541(11) 0.8545(11) 0.066(4) Uani 1 1 d . U . . .
H49 H 0.849282 0.625662 0.839063 0.079 Uiso 1 1 calc R U . . .
C50 C 1.066(2) 0.8152(10) 0.7351(11) 0.065(6) Uani 1 1 d . U . . .
H50 H 1.111755 0.817910 0.745641 0.078 Uiso 1 1 calc R U . . .
C51 C 0.9457(16) 0.4699(10) 0.7936(12) 0.061(3) Uani 1 1 d . U . . .
H51 H 0.951747 0.437660 0.800875 0.073 Uiso 1 1 calc R U . . .
C52 C 0.798(2) 0.6717(10) 0.8770(11) 0.066(4) Uani 1 1 d . U . . .
C53 C 0.514(2) 0.8598(10) 0.7882(14) 0.075(5) Uani 1 1 d . U . . .
H53 H 0.472170 0.873704 0.777784 0.091 Uiso 1 1 calc R U . . .
C54 C 0.918(2) 0.6790(10) 0.8547(11) 0.066(4) Uani 1 1 d . U . . .
H54 H 0.955069 0.667015 0.838421 0.079 Uiso 1 1 calc R U . . .
C55 C 0.837(2) 0.3789(11) 0.6283(12) 0.077(4) Uani 1 1 d . U . . .
H55 H 0.814283 0.353789 0.613823 0.092 Uiso 1 1 calc R U . . .
C56 C 0.531(2) 0.8143(11) 0.7739(14) 0.076(5) Uani 1 1 d . U . . .
H56 H 0.501184 0.798162 0.754959 0.091 Uiso 1 1 calc R U . . .
C57 C 0.689(3) 0.7697(12) 0.8946(11) 0.085(5) Uani 1 1 d . U . . .
C59 C 1.049(2) 0.8339(12) 0.6941(11) 0.071(9) Uani 1 1 d . . . . .
H59 H 1.082698 0.851768 0.679003 0.085 Uiso 1 1 calc R U . . .
C61 C 0.863(3) 0.5132(11) 0.6166(12) 0.078(3) Uani 1 1 d . U . . .
C62 C 0.644(2) 0.9259(13) 0.6274(12) 0.078(4) Uani 1 1 d . U . . .
H62 H 0.605783 0.946479 0.631944 0.094 Uiso 1 1 calc R U . . .
C63 C 0.888(2) 0.8791(10) 0.8255(11) 0.065(4) Uani 1 1 d . U . . .
H63 H 0.929330 0.878930 0.809458 0.078 Uiso 1 1 calc R U . . .
C64 C 0.802(2) 0.9340(11) 0.7302(11) 0.070(4) Uani 1 1 d . U . . .
H64 H 0.825966 0.962784 0.734823 0.084 Uiso 1 1 calc R U . . .
C65 C 0.956(2) 0.5348(11) 0.6700(12) 0.076(4) Uani 1 1 d . U . . .
H65 H 0.982979 0.559038 0.682721 0.091 Uiso 1 1 calc R U . . .
C66 C 0.617(3) 0.7835(12) 0.9566(11) 0.085(5) Uani 1 1 d . U . . .
H66 H 0.576923 0.796618 0.968928 0.102 Uiso 1 1 calc R U . . .
C67 C 0.873(2) 0.9136(10) 0.8596(10) 0.064(4) Uani 1 1 d . U . . .
H67 H 0.902950 0.940100 0.863753 0.077 Uiso 1 1 calc R U . . .
C68 C 0.5703(11) 0.7784(9) 0.6123(10) 0.093(6) Uani 1 1 d G U . . .
C69 C 0.5163(15) 0.7860(9) 0.5827(8) 0.094(6) Uani 1 1 d G U . . .
H69 H 0.527253 0.797001 0.555491 0.113 Uiso 1 1 calc R U . . .
C70 C 0.4461(13) 0.7771(9) 0.5939(9) 0.093(6) Uani 1 1 d G U . . .
H70 H 0.409943 0.782153 0.574184 0.112 Uiso 1 1 calc R U . . .
C71 C 0.4298(11) 0.7606(9) 0.6347(10) 0.093(6) Uani 1 1 d G U . . .
H71 H 0.382733 0.754646 0.642172 0.112 Uiso 1 1 calc R U . . .
C72 C 0.4837(15) 0.7530(8) 0.6642(8) 0.093(6) Uani 1 1 d G U . . .
H72 H 0.472831 0.741987 0.691466 0.112 Uiso 1 1 calc R U . . .
C73 C 0.5540(13) 0.7619(9) 0.6530(9) 0.093(6) Uani 1 1 d G U . . .
H73 H 0.590141 0.756835 0.672774 0.112 Uiso 1 1 calc R U . . .
C74 C 0.721(2) 0.9444(14) 0.6287(12) 0.079(3) Uani 1 1 d . U . . .
C76 C 0.919(2) 0.4522(11) 0.6669(12) 0.076(3) Uani 1 1 d . U . . .
C77 C 0.684(2) 0.8459(14) 0.6093(12) 0.078(4) Uani 1 1 d . U . . .
C78 C 0.593(2) 0.7928(11) 0.7881(14) 0.075(5) Uani 1 1 d . U . . .
H78 H 0.607301 0.762723 0.778289 0.090 Uiso 1 1 calc R U . . .
C79 C 0.7259(16) 0.7368(8) 0.9633(5) 0.086(4) Uani 1 1 d G U . . .
C80 C 0.6666(14) 0.7571(8) 0.9827(6) 0.086(4) Uani 1 1 d G U . . .
C81 C 0.6572(13) 0.7525(8) 1.0265(7) 0.086(5) Uani 1 1 d G U . . .
H81 H 0.617490 0.766133 1.039550 0.104 Uiso 1 1 calc R U . . .
C82 C 0.7069(15) 0.7277(8) 1.0509(5) 0.087(5) Uani 1 1 d G U . . .
H82 H 0.700605 0.724693 1.080168 0.105 Uiso 1 1 calc R U . . .
C83 C 0.7662(14) 0.7074(8) 1.0314(6) 0.087(5) Uani 1 1 d G U . . .
H83 H 0.799548 0.690807 1.047675 0.105 Uiso 1 1 calc R U . . .
C84 C 0.7757(13) 0.7119(8) 0.9876(7) 0.086(5) Uani 1 1 d G U . . .
H84 H 0.815377 0.698359 0.974564 0.103 Uiso 1 1 calc R U . . .
C85 C 0.873(2) 0.4619(11) 0.6340(12) 0.076(3) Uani 1 1 d . U . . .
C87 C 0.996(2) 0.7919(11) 0.9012(11) 0.069(4) Uani 1 1 d . U . . .
H87 H 1.036675 0.810984 0.900364 0.083 Uiso 1 1 calc R U . . .
C88 C 0.816(2) 0.9062(10) 0.8853(10) 0.064(4) Uani 1 1 d . U . . .
H88 H 0.809164 0.928716 0.906866 0.077 Uiso 1 1 calc R U . . .
C89 C 1.0066(16) 0.5049(10) 0.7983(12) 0.061(3) Uani 1 1 d . U . . .
H89 H 1.051878 0.494277 0.805802 0.074 Uiso 1 1 calc R U . . .
C90 C 0.737(2) 0.9933(14) 0.6354(13) 0.080(4) Uani 1 1 d . U . . .
H90 H 0.700340 1.013966 0.644008 0.096 Uiso 1 1 calc R U . . .
C92 C 0.5448(13) 0.5975(6) 0.7394(16) 0.129(8) Uani 1 1 d G U . . .
C93 C 0.4733(13) 0.5879(7) 0.7322(16) 0.131(7) Uani 1 1 d G U . . .
C94 C 0.4486(11) 0.5406(8) 0.7331(16) 0.132(8) Uani 1 1 d G U . . .
H94 H 0.400705 0.534235 0.728263 0.159 Uiso 1 1 calc R U . . .
C95 C 0.4954(13) 0.5029(6) 0.7413(16) 0.132(8) Uani 1 1 d G U . . .
H95 H 0.478833 0.471283 0.741881 0.159 Uiso 1 1 calc R U . . .
C96 C 0.5669(13) 0.5125(7) 0.7485(16) 0.131(8) Uani 1 1 d G U . . .
H96 H 0.598215 0.487247 0.753952 0.157 Uiso 1 1 calc R U . . .
C97 C 0.5916(11) 0.5598(8) 0.7476(16) 0.129(8) Uani 1 1 d G U . . .
H97 H 0.639472 0.566166 0.752406 0.155 Uiso 1 1 calc R U . . .
C98 C 0.552(2) 0.8853(11) 0.8158(14) 0.075(5) Uani 1 1 d . U . . .
H98 H 0.538811 0.915681 0.825705 0.090 Uiso 1 1 calc R U . . .
C99 C 0.6784(15) 0.6244(9) 0.9550(10) 0.114(8) Uani 1 1 d G U . . .
H99 H 0.722584 0.609638 0.957695 0.137 Uiso 1 1 calc R U . . .
C60 C 0.6589(17) 0.6456(9) 0.9166(8) 0.115(8) Uani 1 1 d G U . . .
C75 C 0.5929(18) 0.6677(9) 0.9126(8) 0.115(8) Uani 1 1 d G U . . .
H75 H 0.579826 0.681911 0.886861 0.138 Uiso 1 1 calc R U . . .
C86 C 0.5464(15) 0.6687(9) 0.9471(10) 0.116(8) Uani 1 1 d G U . . .
H86 H 0.502294 0.683482 0.944413 0.139 Uiso 1 1 calc R U . . .
C112 C 0.5660(17) 0.6475(9) 0.9855(8) 0.115(8) Uani 1 1 d G U . . .
H112 H 0.534906 0.648131 1.008606 0.138 Uiso 1 1 calc R U . . .
C110 C 0.6320(18) 0.6254(9) 0.9895(8) 0.115(8) Uani 1 1 d G U . . .
H110 H 0.645050 0.611210 1.015248 0.138 Uiso 1 1 calc R U . . .
C100 C 0.6032(18) 0.3837(8) 0.6153(11) 0.112(8) Uani 1 1 d G U . . .
H100 H 0.586465 0.352180 0.613025 0.134 Uiso 1 1 calc R U . . .
C101 C 0.5880(17) 0.4171(11) 0.5835(10) 0.113(8) Uani 1 1 d G U . . .
H101 H 0.561085 0.407963 0.559944 0.136 Uiso 1 1 calc R U . . .
C102 C 0.6130(18) 0.4642(10) 0.5869(10) 0.113(8) Uani 1 1 d G U . . .
H102 H 0.602828 0.486521 0.565614 0.135 Uiso 1 1 calc R U . . .
C103 C 0.6532(18) 0.4778(8) 0.6221(11) 0.112(8) Uani 1 1 d G U . . .
C104 C 0.6684(17) 0.4444(11) 0.6539(10) 0.111(8) Uani 1 1 d G U . . .
H104 H 0.695330 0.453515 0.677444 0.134 Uiso 1 1 calc R U . . .
C105 C 0.6434(18) 0.3973(10) 0.6505(10) 0.111(8) Uani 1 1 d G U . . .
H105 H 0.653588 0.374957 0.671776 0.134 Uiso 1 1 calc R U . . .
C106 C 0.875(2) 0.7880(11) 0.9247(11) 0.068(4) Uani 1 1 d . U . . .
H106 H 0.836682 0.800917 0.939862 0.081 Uiso 1 1 calc R U . . .
C107 C 0.413(2) 0.6259(14) 0.729(3) 0.132(8) Uani 1 1 d . U . . .
C108 C 0.731(2) 0.9304(11) 0.7402(11) 0.070(4) Uani 1 1 d . U . . .
H108 H 0.708004 0.956611 0.752336 0.084 Uiso 1 1 calc R U . . .
C109 C 0.879(2) 0.3694(11) 0.6652(12) 0.077(4) Uani 1 1 d . U . . .
H109 H 0.879567 0.338682 0.677238 0.092 Uiso 1 1 calc R U . . .
C113 C 0.742(3) 0.7414(12) 0.9205(11) 0.085(5) Uani 1 1 d . U . . .
C114 C 0.695(2) 0.8881(10) 0.7324(10) 0.069(4) Uani 1 1 d . U . . .
H114 H 0.646677 0.886900 0.739440 0.083 Uiso 1 1 calc R U . . .
C115 C 0.798(2) 1.0102(14) 0.6302(13) 0.080(4) Uani 1 1 d . U . . .
H115 H 0.806222 1.043046 0.634235 0.097 Uiso 1 1 calc R U . . .
C116 C 0.935(2) 0.8071(12) 0.9232(11) 0.068(4) Uani 1 1 d . U . . .
H116 H 0.939539 0.835466 0.938792 0.082 Uiso 1 1 calc R U . . .
C117 C 0.994(2) 0.7420(11) 0.8783(11) 0.069(4) Uani 1 1 d . U . . .
H117 H 1.032902 0.727497 0.865546 0.083 Uiso 1 1 calc R U . . .
C118 C 0.3107(13) 0.8525(8) 0.738(2) 0.112(7) Uani 1 1 d D U . . .
C119 C 0.274(2) 0.7214(12) 0.6862(15) 0.122(7) Uani 1 1 d D U . . .
C122 C 0.655(2) 0.8277(13) 0.4704(12) 0.126(8) Uani 1 1 d G U . . .
H122 H 0.632650 0.852124 0.455301 0.151 Uiso 1 1 calc R U . . .
C123 C 0.642(2) 0.8218(14) 0.5137(12) 0.126(8) Uani 1 1 d G U . . .
H123 H 0.610414 0.842278 0.527593 0.151 Uiso 1 1 calc R U . . .
C124 C 0.676(2) 0.7854(16) 0.5363(9) 0.126(8) Uani 1 1 d G U . . .
C125 C 0.724(2) 0.7548(13) 0.5156(12) 0.126(8) Uani 1 1 d G U . . .
H125 H 0.746299 0.730394 0.530751 0.151 Uiso 1 1 calc R U . . .
C126 C 0.737(2) 0.7607(14) 0.4723(13) 0.126(8) Uani 1 1 d G U . . .
H126 H 0.768536 0.740239 0.458460 0.151 Uiso 1 1 calc R U . . .
C127 C 0.703(2) 0.7972(15) 0.4497(9) 0.126(8) Uani 1 1 d G U . . .
H127 H 0.711713 0.801104 0.420734 0.151 Uiso 1 1 calc R U . . .
C128 C 0.9119(12) 0.7930(8) 0.4983(5) 0.090(4) Uani 1 1 d G U . . .
H128 H 0.946858 0.771409 0.489669 0.108 Uiso 1 1 calc R U . . .
C129 C 0.8809(14) 0.8240(9) 0.4687(4) 0.091(4) Uani 1 1 d G U . . .
H129 H 0.895209 0.823054 0.440316 0.109 Uiso 1 1 calc R U . . .
C130 C 0.8286(13) 0.8563(9) 0.4816(5) 0.091(4) Uani 1 1 d G U . . .
H130 H 0.807898 0.876986 0.461798 0.109 Uiso 1 1 calc R U . . .
C131 C 0.8072(12) 0.8577(8) 0.5240(6) 0.089(4) Uani 1 1 d G U . . .
H131 H 0.772234 0.879274 0.532633 0.107 Uiso 1 1 calc R U . . .
C132 C 0.8382(9) 0.8267(6) 0.5536(4) 0.087(4) Uani 1 1 d G U . . .
C133 C 0.8905(9) 0.7944(6) 0.5407(4) 0.088(4) Uani 1 1 d G U . . .
C134 C 0.9214(11) 0.7635(7) 0.5703(6) 0.086(4) Uani 1 1 d G U . . .
H134 H 0.956436 0.741838 0.561677 0.103 Uiso 1 1 calc R U . . .
C135 C 0.9001(13) 0.7648(8) 0.6127(5) 0.084(4) Uani 1 1 d G U . . .
H135 H 0.920774 0.744125 0.632513 0.101 Uiso 1 1 calc R U . . .
C136 C 0.8478(13) 0.7971(9) 0.6256(4) 0.084(4) Uani 1 1 d G U . . .
C137 C 0.8168(12) 0.8281(8) 0.5960(5) 0.084(3) Uani 1 1 d DG U . . .
C138 C 0.5520(15) 0.6559(10) 0.5861(10) 0.101(6) Uani 1 1 d G U . . .
H138 H 0.519764 0.680189 0.579482 0.121 Uiso 1 1 calc R U . . .
C139 C 0.5339(13) 0.6203(12) 0.6154(10) 0.101(6) Uani 1 1 d G U . . .
H139 H 0.489491 0.620806 0.628426 0.121 Uiso 1 1 calc R U . . .
C140 C 0.5821(17) 0.5839(10) 0.6252(9) 0.100(6) Uani 1 1 d G U . . .
H140 H 0.569991 0.560132 0.644853 0.120 Uiso 1 1 calc R U . . .
C141 C 0.6485(15) 0.5832(10) 0.6058(10) 0.099(6) Uani 1 1 d G U . . .
C142 C 0.6666(13) 0.6187(12) 0.5764(10) 0.099(6) Uani 1 1 d G U . . .
H142 H 0.711039 0.618224 0.563391 0.119 Uiso 1 1 calc R U . . .
C143 C 0.6184(17) 0.6551(10) 0.5666(9) 0.100(6) Uani 1 1 d G U . . .
H143 H 0.630540 0.678898 0.546964 0.120 Uiso 1 1 calc R U . . .
C144 C 0.796(2) 0.8499(10) 0.7061(10) 0.066(4) Uani 1 1 d . U . . .
C145 C 0.829(2) 0.8448(10) 0.8192(10) 0.064(4) Uani 1 1 d . U . . .
H145 H 0.829507 0.826067 0.794531 0.076 Uiso 1 1 calc R U . . .
C146 C 1.0132(19) 0.7926(10) 0.7598(11) 0.065(6) Uani 1 1 d . U . . .
H146 H 1.023424 0.782304 0.787349 0.078 Uiso 1 1 calc R U . . .
C147 C 0.909(2) 0.5448(11) 0.6383(12) 0.076(4) Uani 1 1 d . U . . .
C148 C 0.9649(10) 0.6505(8) 0.6946(6) 0.068(6) Uani 1 1 d G U . . .
H148 H 0.925999 0.638537 0.709537 0.082 Uiso 1 1 calc R U . . .
C58 C 1.0183(12) 0.6753(8) 0.7161(4) 0.070(9) Uani 1 1 d G . . . .
H58 H 1.015046 0.679929 0.745383 0.084 Uiso 1 1 calc R U . . .
C111 C 1.0764(10) 0.6931(8) 0.6937(6) 0.063(8) Uani 1 1 d G . . . .
H111 H 1.112144 0.709682 0.708079 0.076 Uiso 1 1 calc R U . . .
C91 C 1.0813(11) 0.6861(8) 0.6499(6) 0.077(10) Uani 1 1 d G . . . .
H91 H 1.120197 0.698044 0.634930 0.093 Uiso 1 1 calc R U . . .
C32 C 1.0279(12) 0.6613(9) 0.6284(4) 0.070(9) Uani 1 1 d G . . . .
H32 H 1.031151 0.656653 0.599083 0.084 Uiso 1 1 calc R U . . .
C29 C 0.9697(10) 0.6435(8) 0.6508(6) 0.068(6) Uani 1 1 d G U . . .
C149 C 0.843(2) 0.9313(13) 0.6122(12) 0.079(4) Uani 1 1 d . U . . .
H149 H 0.879608 0.910548 0.604995 0.095 Uiso 1 1 calc R U . . .
C150 C 0.859(2) 0.9788(13) 0.6179(13) 0.080(4) Uani 1 1 d . U . . .
H150 H 0.904809 0.990671 0.614381 0.097 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Au2 2.8983(15) . ?
Au1 S1 2.337(7) . ?
Au1 P1 2.284(8) . ?
Au2 Au3 2.6912(15) . ?
Au2 Au4 2.655(2) . ?
Au2 Au5 2.9164(14) . ?
Au2 Au6 3.2112(15) . ?
Au2 P2 2.316(9) . ?
Au3 Au4 2.7314(19) . ?
Au3 Au5 2.8305(15) . ?
Au3 P3 2.272(7) . ?
Au4 Au5 2.8837(16) . ?
Au4 Au6 2.8388(16) . ?
Au4 S2 2.397(10) . ?
Au5 Au6 2.6480(13) . ?
Au5 Au8 2.6813(15) . ?
Au5 P4 2.279(6) . ?
Au6 Au7 3.0030(17) . ?
Au6 Au8 2.6620(14) . ?
Au6 S1 2.384(5) . ?
Au7 Au8 2.9528(15) . ?
Au7 S2 2.372(11) . ?
Au7 P6 2.297(11) . ?
Au8 P5 2.293(7) . ?
S1 C14 1.83(3) . ?
S2 C92 1.818(17) . ?
P1 C18 1.89(2) . ?
P1 C103 1.84(2) . ?
P1 C141 1.76(2) . ?
P2 C35 1.75(2) . ?
P2 C147 1.94(3) . ?
P2 C29 1.857(18) . ?
P3 C68 1.79(2) . ?
P3 C77 1.80(4) . ?
P3 C124 1.95(3) . ?
P4 C46 1.84(3) . ?
P4 C136 1.838(15) . ?
P4 C144 1.82(3) . ?
P5 C33 1.90(4) . ?
P5 C43 1.79(3) . ?
P5 C57 1.86(3) . ?
P6 C12 1.867(19) . ?
P6 C52 1.87(4) . ?
P6 C60 1.778(19) . ?
O1 C47 1.24(4) . ?
O2 H2 0.8200 . ?
O2 C47 1.23(4) . ?
O3 C118 1.291(15) . ?
O4 H4A 0.8200 . ?
O4 C118 1.290(15) . ?
O5 H5A 0.8200 . ?
O5 C119 1.285(16) . ?
O6 C118 1.278(11) . ?
O7 H7 0.8200 . ?
O7 C107 1.41(9) . ?
O8 C119 1.283(16) . ?
O9 C107 1.17(6) . ?
O10 C119 1.273(12) . ?
C1 C14 1.49(4) . ?
C1 C47 1.462(14) . ?
C1 C51 1.37(4) . ?
C2 H2A 0.9300 . ?
C2 C114 1.38(4) . ?
C2 C144 1.35(5) . ?
C3 H3 0.9300 . ?
C3 C64 1.34(4) . ?
C3 C144 1.50(5) . ?
C4 H4 0.9300 . ?
C4 C46 1.41(5) . ?
C4 C59 1.33(5) . ?
C5 H5 0.9300 . ?
C5 C43 1.47(4) . ?
C5 C88 1.30(4) . ?
C6 C40 1.35(5) . ?
C6 C54 1.45(4) . ?
C6 C117 1.33(5) . ?
C7 H7A 0.9300 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 H8 0.9300 . ?
C8 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C10 1.3900 . ?
C10 H10 0.9300 . ?
C10 C11 1.3900 . ?
C11 H11 0.9300 . ?
C11 C12 1.3900 . ?
C13 H13 0.9300 . ?
C13 C55 1.28(5) . ?
C13 C85 1.48(5) . ?
C14 C28 1.31(4) . ?
C15 C40 1.55(5) . ?
C15 C52 1.48(4) . ?
C15 C113 1.35(6) . ?
C16 C44 1.42(6) . ?
C16 C77 1.46(6) . ?
C16 C137 1.463(14) . ?
C17 C18 1.3900 . ?
C17 C22 1.3900 . ?
C17 C61 1.43(4) . ?
C18 C19 1.3900 . ?
C19 H19 0.9300 . ?
C19 C20 1.3900 . ?
C20 H20 0.9300 . ?
C20 C21 1.3900 . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C26 1.3900 . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C27 C62 1.34(5) . ?
C27 C77 1.35(5) . ?
C28 H28 0.9300 . ?
C28 C48 1.41(4) . ?
C30 H30 0.9300 . ?
C30 C57 1.37(6) . ?
C30 C66 1.41(5) . ?
C31 H31 0.9300 . ?
C31 C76 1.40(5) . ?
C31 C109 1.33(5) . ?
C33 C45 1.34(5) . ?
C33 C78 1.37(6) . ?
C34 H34 0.9300 . ?
C34 C35 1.3900 . ?
C34 C39 1.3900 . ?
C35 C36 1.3900 . ?
C36 H36 0.9300 . ?
C36 C37 1.3900 . ?
C37 H37 0.9300 . ?
C37 C38 1.3900 . ?
C38 H38 0.9300 . ?
C38 C39 1.3900 . ?
C39 H39 0.9300 . ?
C40 C106 1.56(4) . ?
C41 H41 0.9300 . ?
C41 C65 1.40(5) . ?
C41 C76 1.35(5) . ?
C42 H42 0.9300 . ?
C42 C46 1.38(4) . ?
C42 C146 1.35(5) . ?
C43 C145 1.33(5) . ?
C44 C74 1.39(6) . ?
C44 C149 1.48(6) . ?
C45 H45 0.9300 . ?
C45 C98 1.32(6) . ?
C48 H48 0.9300 . ?
C48 C89 1.27(4) . ?
C49 H49 0.9300 . ?
C49 C52 1.35(5) . ?
C49 C54 1.38(5) . ?
C50 H50 0.9300 . ?
C50 C59 1.42(5) . ?
C50 C146 1.40(5) . ?
C51 H51 0.9300 . ?
C51 C89 1.51(4) . ?
C53 H53 0.9300 . ?
C53 C56 1.38(4) . ?
C53 C98 1.33(6) . ?
C54 H54 0.9300 . ?
C55 H55 0.9300 . ?
C55 C109 1.43(6) . ?
C56 H56 0.9300 . ?
C56 C78 1.38(6) . ?
C57 C113 1.51(6) . ?
C59 H59 0.9300 . ?
C61 C85 1.53(5) . ?
C61 C147 1.41(5) . ?
C62 H62 0.9300 . ?
C62 C74 1.53(6) . ?
C63 H63 0.9300 . ?
C63 C67 1.46(4) . ?
C63 C145 1.47(4) . ?
C64 H64 0.9300 . ?
C64 C108 1.36(5) . ?
C65 H65 0.9300 . ?
C65 C147 1.36(6) . ?
C66 H66 0.9300 . ?
C66 C80 1.44(5) . ?
C67 H67 0.9300 . ?
C67 C88 1.36(5) . ?
C68 C69 1.3900 . ?
C68 C73 1.3900 . ?
C69 H69 0.9300 . ?
C69 C70 1.3900 . ?
C70 H70 0.9300 . ?
C70 C71 1.3900 . ?
C71 H71 0.9300 . ?
C71 C72 1.3900 . ?
C72 H72 0.9300 . ?
C72 C73 1.3900 . ?
C73 H73 0.9300 . ?
C74 C90 1.40(6) . ?
C76 C85 1.37(6) . ?
C78 H78 0.9300 . ?
C79 C80 1.3900 . ?
C79 C84 1.3900 . ?
C79 C113 1.38(4) . ?
C80 C81 1.3900 . ?
C81 H81 0.9300 . ?
C81 C82 1.3900 . ?
C82 H82 0.9300 . ?
C82 C83 1.3900 . ?
C83 H83 0.9300 . ?
C83 C84 1.3900 . ?
C84 H84 0.9300 . ?
C87 H87 0.9300 . ?
C87 C116 1.41(6) . ?
C87 C117 1.56(4) . ?
C88 H88 0.9300 . ?
C89 H89 0.9300 . ?
C90 H90 0.9300 . ?
C90 C115 1.27(6) . ?
C92 C93 1.3900 . ?
C92 C97 1.3900 . ?
C93 C94 1.3900 . ?
C93 C107 1.54(5) . ?
C94 H94 0.9300 . ?
C94 C95 1.3900 . ?
C95 H95 0.9300 . ?
C95 C96 1.3900 . ?
C96 H96 0.9300 . ?
C96 C97 1.3900 . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C99 H99 0.9300 . ?
C99 C60 1.3900 . ?
C99 C110 1.3900 . ?
C60 C75 1.3900 . ?
C75 H75 0.9300 . ?
C75 C86 1.3900 . ?
C86 H86 0.9300 . ?
C86 C112 1.3900 . ?
C112 H112 0.9300 . ?
C112 C110 1.3900 . ?
C110 H110 0.9300 . ?
C100 H100 0.9300 . ?
C100 C101 1.3900 . ?
C100 C105 1.3900 . ?
C101 H101 0.9300 . ?
C101 C102 1.3900 . ?
C102 H102 0.9300 . ?
C102 C103 1.3900 . ?
C103 C104 1.3900 . ?
C104 H104 0.9300 . ?
C104 C105 1.3900 . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C106 C116 1.24(5) . ?
C108 H108 0.9300 . ?
C108 C114 1.38(5) . ?
C109 H109 0.9300 . ?
C114 H114 0.9300 . ?
C115 H115 0.9300 . ?
C115 C150 1.48(6) . ?
C116 H116 0.9300 . ?
C117 H117 0.9300 . ?
C122 H122 0.9300 . ?
C122 C123 1.3900 . ?
C122 C127 1.3900 . ?
C123 H123 0.9300 . ?
C123 C124 1.3900 . ?
C124 C125 1.3900 . ?
C125 H125 0.9300 . ?
C125 C126 1.3900 . ?
C126 H126 0.9300 . ?
C126 C127 1.3900 . ?
C127 H127 0.9300 . ?
C128 H128 0.9300 . ?
C128 C129 1.3900 . ?
C128 C133 1.3900 . ?
C129 H129 0.9300 . ?
C129 C130 1.3900 . ?
C130 H130 0.9300 . ?
C130 C131 1.3900 . ?
C131 H131 0.9300 . ?
C131 C132 1.3900 . ?
C132 C133 1.3900 . ?
C132 C137 1.3900 . ?
C133 C134 1.3900 . ?
C134 H134 0.9300 . ?
C134 C135 1.3900 . ?
C135 H135 0.9300 . ?
C135 C136 1.3900 . ?
C136 C137 1.3900 . ?
C138 H138 0.9300 . ?
C138 C139 1.3900 . ?
C138 C143 1.3900 . ?
C139 H139 0.9300 . ?
C139 C140 1.3900 . ?
C140 H140 0.9300 . ?
C140 C141 1.3900 . ?
C141 C142 1.3900 . ?
C142 H142 0.9300 . ?
C142 C143 1.3900 . ?
C143 H143 0.9300 . ?
C145 H145 0.9300 . ?
C146 H146 0.9300 . ?
C148 H148 0.9300 . ?
C148 C58 1.3900 . ?
C148 C29 1.3900 . ?
C58 H58 0.9300 . ?
C58 C111 1.3900 . ?
C111 H111 0.9300 . ?
C111 C91 1.3900 . ?
C91 H91 0.9300 . ?
C91 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C29 1.3900 . ?
C149 H149 0.9300 . ?
C149 C150 1.36(6) . ?
C150 H150 0.9300 . ?

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
S1 Au1 Au2 98.37(14) . . ?
P1 Au1 Au2 86.3(2) . . ?
P1 Au1 S1 169.2(4) . . ?
Au1 Au2 Au5 120.51(5) . . ?
Au1 Au2 Au6 70.68(4) . . ?
Au3 Au2 Au1 134.03(7) . . ?
Au3 Au2 Au5 60.47(4) . . ?
Au3 Au2 Au6 101.84(5) . . ?
Au4 Au2 Au1 78.60(5) . . ?
Au4 Au2 Au3 61.45(5) . . ?
Au4 Au2 Au5 62.14(4) . . ?
Au4 Au2 Au6 56.94(4) . . ?
Au5 Au2 Au6 50.93(3) . . ?
P2 Au2 Au1 90.00(17) . . ?
P2 Au2 Au3 130.57(19) . . ?
P2 Au2 Au4 167.95(18) . . ?
P2 Au2 Au5 122.28(19) . . ?
P2 Au2 Au6 115.7(2) . . ?
Au2 Au3 Au4 58.62(5) . . ?
Au2 Au3 Au5 63.70(4) . . ?
Au4 Au3 Au5 62.43(4) . . ?
P3 Au3 Au2 164.4(3) . . ?
P3 Au3 Au4 134.2(3) . . ?
P3 Au3 Au5 127.5(2) . . ?
Au2 Au4 Au3 59.93(5) . . ?
Au2 Au4 Au5 63.39(4) . . ?
Au2 Au4 Au6 71.45(4) . . ?
Au3 Au4 Au5 60.47(4) . . ?
Au3 Au4 Au6 111.10(6) . . ?
Au6 Au4 Au5 55.12(4) . . ?
S2 Au4 Au2 164.0(2) . . ?
S2 Au4 Au3 135.9(2) . . ?
S2 Au4 Au5 123.0(2) . . ?
S2 Au4 Au6 99.7(3) . . ?
Au3 Au5 Au2 55.82(4) . . ?
Au3 Au5 Au4 57.10(4) . . ?
Au4 Au5 Au2 54.47(4) . . ?
Au6 Au5 Au2 70.30(4) . . ?
Au6 Au5 Au3 113.91(5) . . ?
Au6 Au5 Au4 61.58(4) . . ?
Au6 Au5 Au8 59.93(4) . . ?
Au8 Au5 Au2 127.91(5) . . ?
Au8 Au5 Au3 133.88(6) . . ?
Au8 Au5 Au4 87.31(5) . . ?
P4 Au5 Au2 117.21(19) . . ?
P4 Au5 Au3 86.14(19) . . ?
P4 Au5 Au4 141.1(2) . . ?
P4 Au5 Au6 157.1(2) . . ?
P4 Au5 Au8 114.62(18) . . ?
Au4 Au6 Au2 51.61(4) . . ?
Au4 Au6 Au7 71.93(5) . . ?
Au5 Au6 Au2 58.77(3) . . ?
Au5 Au6 Au4 63.30(4) . . ?
Au5 Au6 Au7 105.80(5) . . ?
Au5 Au6 Au8 60.66(4) . . ?
Au7 Au6 Au2 122.91(5) . . ?
Au8 Au6 Au2 117.55(4) . . ?
Au8 Au6 Au4 88.61(5) . . ?
Au8 Au6 Au7 62.49(4) . . ?
S1 Au6 Au2 89.40(16) . . ?
S1 Au6 Au4 99.44(17) . . ?
S1 Au6 Au5 148.13(17) . . ?
S1 Au6 Au7 92.31(18) . . ?
S1 Au6 Au8 149.86(17) . . ?
Au8 Au7 Au6 53.09(3) . . ?
S2 Au7 Au6 95.8(2) . . ?
S2 Au7 Au8 103.8(2) . . ?
P6 Au7 Au6 91.7(2) . . ?
P6 Au7 Au8 86.2(2) . . ?
P6 Au7 S2 169.9(3) . . ?
Au5 Au8 Au7 106.33(5) . . ?
Au6 Au8 Au5 59.41(4) . . ?
Au6 Au8 Au7 64.42(4) . . ?
P5 Au8 Au5 137.13(18) . . ?
P5 Au8 Au6 162.54(18) . . ?
P5 Au8 Au7 100.68(19) . . ?
Au1 S1 Au6 97.3(2) . . ?
C14 S1 Au1 112.2(11) . . ?
C14 S1 Au6 110.5(10) . . ?
Au7 S2 Au4 92.1(3) . . ?
C92 S2 Au4 102.1(13) . . ?
C92 S2 Au7 104.2(14) . . ?
C18 P1 Au1 118.5(9) . . ?
C103 P1 Au1 112.2(12) . . ?
C103 P1 C18 104.0(13) . . ?
C141 P1 Au1 113.6(11) . . ?
C141 P1 C18 96.4(14) . . ?
C141 P1 C103 110.7(17) . . ?
C35 P2 Au2 119.5(13) . . ?
C35 P2 C147 107.3(16) . . ?
C35 P2 C29 104.9(13) . . ?
C147 P2 Au2 113.3(14) . . ?
C29 P2 Au2 106.5(7) . . ?
C29 P2 C147 103.9(15) . . ?
C68 P3 Au3 103.6(10) . . ?
C68 P3 C77 105.0(16) . . ?
C68 P3 C124 112.2(17) . . ?
C77 P3 Au3 121.2(13) . . ?
C77 P3 C124 98.3(18) . . ?
C124 P3 Au3 116.2(13) . . ?
C46 P4 Au5 109.3(9) . . ?
C136 P4 Au5 113.3(9) . . ?
C136 P4 C46 104.7(13) . . ?
C144 P4 Au5 111.3(10) . . ?
C144 P4 C46 103.2(16) . . ?
C144 P4 C136 114.2(12) . . ?
C33 P5 Au8 110.0(12) . . ?
C43 P5 Au8 112.6(11) . . ?
C43 P5 C33 103.3(15) . . ?
C43 P5 C57 106.5(17) . . ?
C57 P5 Au8 118.8(11) . . ?
C57 P5 C33 104(2) . . ?
C12 P6 Au7 108.9(10) . . ?
C12 P6 C52 100.7(14) . . ?
C52 P6 Au7 115.9(11) . . ?
C60 P6 Au7 114.3(13) . . ?
C60 P6 C12 105.7(13) . . ?
C60 P6 C52 110.0(16) . . ?
C47 O2 H2 109.5 . . ?
C118 O4 H4A 109.5 . . ?
C119 O5 H5A 109.5 . . ?
C107 O7 H7 109.5 . . ?
C47 C1 C14 127(3) . . ?
C51 C1 C14 115(2) . . ?
C51 C1 C47 118(3) . . ?
C114 C2 H2A 121.5 . . ?
C144 C2 H2A 121.5 . . ?
C144 C2 C114 117(3) . . ?
C64 C3 H3 120.2 . . ?
C64 C3 C144 120(4) . . ?
C144 C3 H3 120.2 . . ?
C46 C4 H4 120.3 . . ?
C59 C4 H4 120.3 . . ?
C59 C4 C46 119(3) . . ?
C43 C5 H5 121.6 . . ?
C88 C5 H5 121.6 . . ?
C88 C5 C43 117(3) . . ?
C40 C6 C54 115(3) . . ?
C117 C6 C40 127(3) . . ?
C117 C6 C54 118(4) . . ?
C8 C7 H7A 120.0 . . ?
C8 C7 C12 120.0 . . ?
C12 C7 H7A 120.0 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 C9 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 H11 120.0 . . ?
C10 C11 C12 120.0 . . ?
C12 C11 H11 120.0 . . ?
C7 C12 P6 115.9(15) . . ?
C11 C12 P6 124.1(15) . . ?
C11 C12 C7 120.0 . . ?
C55 C13 H13 119.2 . . ?
C55 C13 C85 122(4) . . ?
C85 C13 H13 119.2 . . ?
C1 C14 S1 115(2) . . ?
C28 C14 S1 119(2) . . ?
C28 C14 C1 124(3) . . ?
C52 C15 C40 107(3) . . ?
C113 C15 C40 120(3) . . ?
C113 C15 C52 133(4) . . ?
C44 C16 C77 114(3) . . ?
C44 C16 C137 122(3) . . ?
C77 C16 C137 124(3) . . ?
C18 C17 C22 120.0 . . ?
C18 C17 C61 117(2) . . ?
C22 C17 C61 122(2) . . ?
C17 C18 P1 121.9(11) . . ?
C19 C18 P1 117.2(11) . . ?
C19 C18 C17 120.0 . . ?
C18 C19 H19 120.0 . . ?
C18 C19 C20 120.0 . . ?
C20 C19 H19 120.0 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 C26 120.0 . . ?
C22 C21 C26 120.0 . . ?
C21 C22 C17 120.0 . . ?
C23 C22 C17 120.0 . . ?
C23 C22 C21 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C23 C24 C25 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C21 C26 H26 120.0 . . ?
C25 C26 C21 120.0 . . ?
C25 C26 H26 120.0 . . ?
C62 C27 H27 116.0 . . ?
C62 C27 C77 128(4) . . ?
C77 C27 H27 116.0 . . ?
C14 C28 H28 121.7 . . ?
C14 C28 C48 117(3) . . ?
C48 C28 H28 121.7 . . ?
C57 C30 H30 120.6 . . ?
C57 C30 C66 119(4) . . ?
C66 C30 H30 120.6 . . ?
C76 C31 H31 117.9 . . ?
C109 C31 H31 117.9 . . ?
C109 C31 C76 124(4) . . ?
C45 C33 P5 124(4) . . ?
C45 C33 C78 118(4) . . ?
C78 C33 P5 118(3) . . ?
C35 C34 H34 120.0 . . ?
C35 C34 C39 120.0 . . ?
C39 C34 H34 120.0 . . ?
C34 C35 P2 119(2) . . ?
C34 C35 C36 120.0 . . ?
C36 C35 P2 121(2) . . ?
C35 C36 H36 120.0 . . ?
C35 C36 C37 120.0 . . ?
C37 C36 H36 120.0 . . ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C38 C37 H37 120.0 . . ?
C37 C38 H38 120.0 . . ?
C37 C38 C39 120.0 . . ?
C39 C38 H38 120.0 . . ?
C34 C39 H39 120.0 . . ?
C38 C39 C34 120.0 . . ?
C38 C39 H39 120.0 . . ?
C6 C40 C15 128(3) . . ?
C6 C40 C106 120(3) . . ?
C15 C40 C106 112(3) . . ?
C65 C41 H41 119.5 . . ?
C76 C41 H41 119.5 . . ?
C76 C41 C65 121(4) . . ?
C46 C42 H42 120.4 . . ?
C146 C42 H42 120.4 . . ?
C146 C42 C46 119(3) . . ?
C5 C43 P5 121(3) . . ?
C145 C43 P5 120(2) . . ?
C145 C43 C5 118(3) . . ?
C16 C44 C149 121(3) . . ?
C74 C44 C16 127(4) . . ?
C74 C44 C149 112(4) . . ?
C33 C45 H45 116.0 . . ?
C98 C45 C33 128(4) . . ?
C98 C45 H45 116.0 . . ?
C4 C46 P4 121(2) . . ?
C42 C46 P4 117(2) . . ?
C42 C46 C4 122(3) . . ?
O1 C47 C1 115(3) . . ?
O2 C47 O1 126(2) . . ?
O2 C47 C1 120(3) . . ?
C28 C48 H48 116.9 . . ?
C89 C48 C28 126(3) . . ?
C89 C48 H48 116.9 . . ?
C52 C49 H49 120.3 . . ?
C52 C49 C54 119(3) . . ?
C54 C49 H49 120.3 . . ?
C59 C50 H50 119.7 . . ?
C146 C50 H50 119.7 . . ?
C146 C50 C59 121(3) . . ?
C1 C51 H51 120.0 . . ?
C1 C51 C89 120(3) . . ?
C89 C51 H51 120.0 . . ?
C15 C52 P6 116(3) . . ?
C49 C52 P6 116(2) . . ?
C49 C52 C15 127(3) . . ?
C56 C53 H53 117.6 . . ?
C98 C53 H53 117.6 . . ?
C98 C53 C56 125(4) . . ?
C6 C54 H54 118.5 . . ?
C49 C54 C6 123(4) . . ?
C49 C54 H54 118.5 . . ?
C13 C55 H55 120.6 . . ?
C13 C55 C109 119(4) . . ?
C109 C55 H55 120.6 . . ?
C53 C56 H56 120.4 . . ?
C53 C56 C78 119(4) . . ?
C78 C56 H56 120.4 . . ?
C30 C57 P5 119(3) . . ?
C30 C57 C113 122(3) . . ?
C113 C57 P5 118(3) . . ?
C4 C59 C50 119(3) . . ?
C4 C59 H59 120.5 . . ?
C50 C59 H59 120.5 . . ?
C17 C61 C85 115(3) . . ?
C147 C61 C17 132(3) . . ?
C147 C61 C85 109(3) . . ?
C27 C62 H62 121.5 . . ?
C27 C62 C74 117(4) . . ?
C74 C62 H62 121.5 . . ?
C67 C63 H63 123.7 . . ?
C67 C63 C145 113(3) . . ?
C145 C63 H63 123.7 . . ?
C3 C64 H64 120.1 . . ?
C3 C64 C108 120(4) . . ?
C108 C64 H64 120.1 . . ?
C41 C65 H65 121.3 . . ?
C147 C65 C41 117(3) . . ?
C147 C65 H65 121.3 . . ?
C30 C66 H66 119.3 . . ?
C30 C66 C80 121(4) . . ?
C80 C66 H66 119.3 . . ?
C63 C67 H67 120.6 . . ?
C88 C67 C63 119(3) . . ?
C88 C67 H67 120.6 . . ?
C69 C68 P3 121.7(17) . . ?
C69 C68 C73 120.0 . . ?
C73 C68 P3 118.0(17) . . ?
C68 C69 H69 120.0 . . ?
C68 C69 C70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C69 C70 H70 120.0 . . ?
C69 C70 C71 120.0 . . ?
C71 C70 H70 120.0 . . ?
C70 C71 H71 120.0 . . ?
C72 C71 C70 120.0 . . ?
C72 C71 H71 120.0 . . ?
C71 C72 H72 120.0 . . ?
C71 C72 C73 120.0 . . ?
C73 C72 H72 120.0 . . ?
C68 C73 H73 120.0 . . ?
C72 C73 C68 120.0 . . ?
C72 C73 H73 120.0 . . ?
C44 C74 C62 114(4) . . ?
C44 C74 C90 124(4) . . ?
C90 C74 C62 122(4) . . ?
C41 C76 C31 123(4) . . ?
C41 C76 C85 121(3) . . ?
C85 C76 C31 116(4) . . ?
C16 C77 P3 119(3) . . ?
C27 C77 P3 122(3) . . ?
C27 C77 C16 119(4) . . ?
C33 C78 C56 117(3) . . ?
C33 C78 H78 121.7 . . ?
C56 C78 H78 121.7 . . ?
C80 C79 C84 120.0 . . ?
C113 C79 C80 124(3) . . ?
C113 C79 C84 116(3) . . ?
C79 C80 C66 118(2) . . ?
C81 C80 C66 122(2) . . ?
C81 C80 C79 120.0 . . ?
C80 C81 H81 120.0 . . ?
C82 C81 C80 120.0 . . ?
C82 C81 H81 120.0 . . ?
C81 C82 H82 120.0 . . ?
C81 C82 C83 120.0 . . ?
C83 C82 H82 120.0 . . ?
C82 C83 H83 120.0 . . ?
C82 C83 C84 120.0 . . ?
C84 C83 H83 120.0 . . ?
C79 C84 H84 120.0 . . ?
C83 C84 C79 120.0 . . ?
C83 C84 H84 120.0 . . ?
C13 C85 C61 119(4) . . ?
C76 C85 C13 120(3) . . ?
C76 C85 C61 122(3) . . ?
C116 C87 H87 121.1 . . ?
C116 C87 C117 118(3) . . ?
C117 C87 H87 121.1 . . ?
C5 C88 C67 128(3) . . ?
C5 C88 H88 116.2 . . ?
C67 C88 H88 116.2 . . ?
C48 C89 C51 118(3) . . ?
C48 C89 H89 121.2 . . ?
C51 C89 H89 121.2 . . ?
C74 C90 H90 118.8 . . ?
C115 C90 C74 122(4) . . ?
C115 C90 H90 118.8 . . ?
C93 C92 S2 121.1(13) . . ?
C93 C92 C97 120.0 . . ?
C97 C92 S2 118.1(14) . . ?
C92 C93 C94 120.0 . . ?
C92 C93 C107 126(2) . . ?
C94 C93 C107 114(2) . . ?
C93 C94 H94 120.0 . . ?
C93 C94 C95 120.0 . . ?
C95 C94 H94 120.0 . . ?
C94 C95 H95 120.0 . . ?
C96 C95 C94 120.0 . . ?
C96 C95 H95 120.0 . . ?
C95 C96 H96 120.0 . . ?
C95 C96 C97 120.0 . . ?
C97 C96 H96 120.0 . . ?
C92 C97 H97 120.0 . . ?
C96 C97 C92 120.0 . . ?
C96 C97 H97 120.0 . . ?
C45 C98 C53 113(3) . . ?
C45 C98 H98 123.6 . . ?
C53 C98 H98 123.6 . . ?
C60 C99 H99 120.0 . . ?
C60 C99 C110 120.0 . . ?
C110 C99 H99 120.0 . . ?
C99 C60 P6 121.3(18) . . ?
C99 C60 C75 120.0 . . ?
C75 C60 P6 118.3(19) . . ?
C60 C75 H75 120.0 . . ?
C60 C75 C86 120.0 . . ?
C86 C75 H75 120.0 . . ?
C75 C86 H86 120.0 . . ?
C112 C86 C75 120.0 . . ?
C112 C86 H86 120.0 . . ?
C86 C112 H112 120.0 . . ?
C86 C112 C110 120.0 . . ?
C110 C112 H112 120.0 . . ?
C99 C110 H110 120.0 . . ?
C112 C110 C99 120.0 . . ?
C112 C110 H110 120.0 . . ?
C101 C100 H100 120.0 . . ?
C101 C100 C105 120.0 . . ?
C105 C100 H100 120.0 . . ?
C100 C101 H101 120.0 . . ?
C100 C101 C102 120.0 . . ?
C102 C101 H101 120.0 . . ?
C101 C102 H102 120.0 . . ?
C101 C102 C103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C102 C103 P1 121.5(18) . . ?
C104 C103 P1 117.3(18) . . ?
C104 C103 C102 120.0 . . ?
C103 C104 H104 120.0 . . ?
C105 C104 C103 120.0 . . ?
C105 C104 H104 120.0 . . ?
C100 C105 H105 120.0 . . ?
C104 C105 C100 120.0 . . ?
C104 C105 H105 120.0 . . ?
C40 C106 H106 123.6 . . ?
C116 C106 C40 113(4) . . ?
C116 C106 H106 123.6 . . ?
O7 C107 C93 109(4) . . ?
O9 C107 O7 124(5) . . ?
O9 C107 C93 121(5) . . ?
C64 C108 H108 119.8 . . ?
C64 C108 C114 120(3) . . ?
C114 C108 H108 119.8 . . ?
C31 C109 C55 120(3) . . ?
C31 C109 H109 120.2 . . ?
C55 C109 H109 120.2 . . ?
C15 C113 C57 118(3) . . ?
C15 C113 C79 126(4) . . ?
C79 C113 C57 115(4) . . ?
C2 C114 H114 118.4 . . ?
C108 C114 C2 123(4) . . ?
C108 C114 H114 118.4 . . ?
C90 C115 H115 119.3 . . ?
C90 C115 C150 121(4) . . ?
C150 C115 H115 119.3 . . ?
C87 C116 H116 115.3 . . ?
C106 C116 C87 129(3) . . ?
C106 C116 H116 115.3 . . ?
C6 C117 C87 112(4) . . ?
C6 C117 H117 124.0 . . ?
C87 C117 H117 124.0 . . ?
O4 C118 O3 116(2) . . ?
O6 C118 O3 126(2) . . ?
O6 C118 O4 118(3) . . ?
O8 C119 O5 119.1(15) . . ?
O10 C119 O5 120.1(15) . . ?
O10 C119 O8 120.7(15) . . ?
C123 C122 H122 120.0 . . ?
C123 C122 C127 120.0 . . ?
C127 C122 H122 120.0 . . ?
C122 C123 H123 120.0 . . ?
C124 C123 C122 120.0 . . ?
C124 C123 H123 120.0 . . ?
C123 C124 P3 117(2) . . ?
C123 C124 C125 120.0 . . ?
C125 C124 P3 122(2) . . ?
C124 C125 H125 120.0 . . ?
C126 C125 C124 120.0 . . ?
C126 C125 H125 120.0 . . ?
C125 C126 H126 120.0 . . ?
C125 C126 C127 120.0 . . ?
C127 C126 H126 120.0 . . ?
C122 C127 H127 120.0 . . ?
C126 C127 C122 120.0 . . ?
C126 C127 H127 120.0 . . ?
C129 C128 H128 120.0 . . ?
C129 C128 C133 120.0 . . ?
C133 C128 H128 120.0 . . ?
C128 C129 H129 120.0 . . ?
C128 C129 C130 120.0 . . ?
C130 C129 H129 120.0 . . ?
C129 C130 H130 120.0 . . ?
C129 C130 C131 120.0 . . ?
C131 C130 H130 120.0 . . ?
C130 C131 H131 120.0 . . ?
C132 C131 C130 120.0 . . ?
C132 C131 H131 120.0 . . ?
C131 C132 C137 120.0 . . ?
C133 C132 C131 120.0 . . ?
C133 C132 C137 120.0 . . ?
C132 C133 C128 120.0 . . ?
C132 C133 C134 120.0 . . ?
C134 C133 C128 120.0 . . ?
C133 C134 H134 120.0 . . ?
C135 C134 C133 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C134 C135 C136 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 P4 109.9(10) . . ?
C137 C136 P4 129.4(10) . . ?
C137 C136 C135 120.0 . . ?
C132 C137 C16 119.8(17) . . ?
C136 C137 C16 120.1(17) . . ?
C136 C137 C132 120.0 . . ?
C139 C138 H138 120.0 . . ?
C139 C138 C143 120.0 . . ?
C143 C138 H138 120.0 . . ?
C138 C139 H139 120.0 . . ?
C138 C139 C140 120.0 . . ?
C140 C139 H139 120.0 . . ?
C139 C140 H140 120.0 . . ?
C139 C140 C141 120.0 . . ?
C141 C140 H140 120.0 . . ?
C140 C141 P1 113(2) . . ?
C142 C141 P1 127(2) . . ?
C142 C141 C140 120.0 . . ?
C141 C142 H142 120.0 . . ?
C141 C142 C143 120.0 . . ?
C143 C142 H142 120.0 . . ?
C138 C143 H143 120.0 . . ?
C142 C143 C138 120.0 . . ?
C142 C143 H143 120.0 . . ?
C2 C144 P4 119(2) . . ?
C2 C144 C3 120(3) . . ?
C3 C144 P4 121(3) . . ?
C43 C145 C63 125(3) . . ?
C43 C145 H145 117.7 . . ?
C63 C145 H145 117.7 . . ?
C42 C146 C50 120(3) . . ?
C42 C146 H146 120.2 . . ?
C50 C146 H146 120.2 . . ?
C61 C147 P2 114(3) . . ?
C65 C147 P2 117(3) . . ?
C65 C147 C61 129(3) . . ?
C58 C148 H148 120.0 . . ?
C58 C148 C29 120.0 . . ?
C29 C148 H148 120.0 . . ?
C148 C58 H58 120.0 . . ?
C111 C58 C148 120.0 . . ?
C111 C58 H58 120.0 . . ?
C58 C111 H111 120.0 . . ?
C91 C111 C58 120.0 . . ?
C91 C111 H111 120.0 . . ?
C111 C91 H91 120.0 . . ?
C32 C91 C111 120.0 . . ?
C32 C91 H91 120.0 . . ?
C91 C32 H32 120.0 . . ?
C91 C32 C29 120.0 . . ?
C29 C32 H32 120.0 . . ?
C148 C29 P2 116.8(11) . . ?
C32 C29 P2 123.1(11) . . ?
C32 C29 C148 120.0 . . ?
C44 C149 H149 117.4 . . ?
C150 C149 C44 125(4) . . ?
C150 C149 H149 117.4 . . ?
C115 C150 H150 122.3 . . ?
C149 C150 C115 115(4) . . ?
C149 C150 H150 122.3 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S1 C14 C1 -81(3) . . . . ?
Au1 S1 C14 C28 110(3) . . . . ?
Au1 P1 C18 C17 31.4(10) . . . . ?
Au1 P1 C18 C19 -159.6(7) . . . . ?
Au1 P1 C103 C102 175.4(15) . . . . ?
Au1 P1 C103 C104 -17(2) . . . . ?
Au1 P1 C141 C140 -79.1(16) . . . . ?
Au1 P1 C141 C142 99.5(19) . . . . ?
Au2 P2 C35 C34 1(2) . . . . ?
Au2 P2 C35 C36 -176.9(12) . . . . ?
Au2 P2 C29 C148 42.1(13) . . . . ?
Au2 P2 C29 C32 -135.4(11) . . . . ?
Au3 P3 C68 C69 -140.5(12) . . . . ?
Au3 P3 C68 C73 33.9(14) . . . . ?
Au3 P3 C77 C16 52(3) . . . . ?
Au3 P3 C77 C27 -126(3) . . . . ?
Au4 S2 C92 C93 -131(2) . . . . ?
Au4 S2 C92 C97 60(2) . . . . ?
Au5 P4 C46 C4 147(2) . . . . ?
Au5 P4 C46 C42 -33(2) . . . . ?
Au5 P4 C136 C135 -69.9(12) . . . . ?
Au5 P4 C136 C137 119.6(11) . . . . ?
Au5 P4 C144 C2 -35(3) . . . . ?
Au5 P4 C144 C3 147(2) . . . . ?
Au6 S1 C14 C1 171(2) . . . . ?
Au6 S1 C14 C28 3(3) . . . . ?
Au7 S2 C92 C93 134(2) . . . . ?
Au7 S2 C92 C97 -36(3) . . . . ?
Au7 P6 C12 C7 -30.6(16) . . . . ?
Au7 P6 C12 C11 151.4(14) . . . . ?
Au7 P6 C52 C15 93(2) . . . . ?
Au7 P6 C52 C49 -76(3) . . . . ?
Au7 P6 C60 C99 159.8(12) . . . . ?
Au7 P6 C60 C75 -12.7(16) . . . . ?
Au8 P5 C33 C45 -154(3) . . . . ?
Au8 P5 C33 C78 24(3) . . . . ?
Au8 P5 C43 C5 -161(3) . . . . ?
Au8 P5 C43 C145 14(3) . . . . ?
Au8 P5 C57 C30 -140(3) . . . . ?
Au8 P5 C57 C113 53(3) . . . . ?
S1 C14 C28 C48 172(3) . . . . ?
S2 C92 C93 C94 -170(4) . . . . ?
S2 C92 C93 C107 1(6) . . . . ?
S2 C92 C97 C96 170(3) . . . . ?
P1 C18 C19 C20 -169.1(11) . . . . ?
P1 C103 C104 C105 -168(3) . . . . ?
P1 C141 C142 C143 -179(2) . . . . ?
P2 C35 C36 C37 178(2) . . . . ?
P3 C68 C69 C70 174.3(19) . . . . ?
P3 C68 C73 C72 -174.5(18) . . . . ?
P3 C124 C125 C126 -173(3) . . . . ?
P4 C136 C137 C16 -14(3) . . . . ?
P4 C136 C137 C132 169.6(18) . . . . ?
P5 C33 C45 C98 -176(3) . . . . ?
P5 C33 C78 C56 177(3) . . . . ?
P5 C43 C145 C63 -169(3) . . . . ?
P5 C57 C113 C15 -21(5) . . . . ?
P5 C57 C113 C79 167(3) . . . . ?
P6 C60 C75 C86 173(2) . . . . ?
C1 C14 C28 C48 5(5) . . . . ?
C1 C51 C89 C48 6(5) . . . . ?
C3 C64 C108 C114 -2(5) . . . . ?
C5 C43 C145 C63 6(5) . . . . ?
C6 C40 C106 C116 3(5) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C12 P6 -178(2) . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 P6 178(2) . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C12 P6 C52 C15 -150(2) . . . . ?
C12 P6 C52 C49 41(3) . . . . ?
C12 P6 C60 C99 40.1(19) . . . . ?
C12 P6 C60 C75 -132.4(15) . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C13 C55 C109 C31 -8(7) . . . . ?
C14 C1 C47 O1 -159(3) . . . . ?
C14 C1 C47 O2 17(6) . . . . ?
C14 C1 C51 C89 -3(5) . . . . ?
C14 C28 C48 C89 -1(6) . . . . ?
C15 C40 C106 C116 -177(3) . . . . ?
C16 C44 C74 C62 -9(6) . . . . ?
C16 C44 C74 C90 -180(4) . . . . ?
C16 C44 C149 C150 179(4) . . . . ?
C17 C18 C19 C20 0.0 . . . . ?
C17 C22 C23 C24 180.0 . . . . ?
C17 C61 C85 C13 -19(6) . . . . ?
C17 C61 C85 C76 164(4) . . . . ?
C17 C61 C147 P2 31(6) . . . . ?
C17 C61 C147 C65 -157(4) . . . . ?
C18 P1 C103 C102 -55(2) . . . . ?
C18 P1 C103 C104 112.4(19) . . . . ?
C18 P1 C141 C140 155.9(15) . . . . ?
C18 P1 C141 C142 -26(2) . . . . ?
C18 C17 C22 C21 0.0 . . . . ?
C18 C17 C22 C23 180.0 . . . . ?
C18 C17 C61 C85 108(3) . . . . ?
C18 C17 C61 C147 -97(5) . . . . ?
C18 C19 C20 C21 0.0 . . . . ?
C19 C20 C21 C22 0.0 . . . . ?
C19 C20 C21 C26 180.0 . . . . ?
C20 C21 C22 C17 0.0 . . . . ?
C20 C21 C22 C23 180.0 . . . . ?
C20 C21 C26 C25 180.0 . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C17 C18 P1 168.6(11) . . . . ?
C22 C17 C18 C19 0.0 . . . . ?
C22 C17 C61 C85 -78(4) . . . . ?
C22 C17 C61 C147 77(5) . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C26 C21 C22 C17 180.0 . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
C27 C62 C74 C44 7(5) . . . . ?
C27 C62 C74 C90 178(4) . . . . ?
C28 C48 C89 C51 -4(6) . . . . ?
C30 C57 C113 C15 173(4) . . . . ?
C30 C57 C113 C79 1(6) . . . . ?
C30 C66 C80 C79 -2(5) . . . . ?
C30 C66 C80 C81 177(3) . . . . ?
C31 C76 C85 C13 -4(6) . . . . ?
C31 C76 C85 C61 174(4) . . . . ?
C33 P5 C43 C5 80(3) . . . . ?
C33 P5 C43 C145 -105(3) . . . . ?
C33 P5 C57 C30 -17(4) . . . . ?
C33 P5 C57 C113 176(3) . . . . ?
C33 C45 C98 C53 -4(6) . . . . ?
C34 C35 C36 C37 0.0 . . . . ?
C35 P2 C29 C148 169.7(16) . . . . ?
C35 P2 C29 C32 -7.8(19) . . . . ?
C35 C34 C39 C38 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C36 C37 C38 C39 0.0 . . . . ?
C37 C38 C39 C34 0.0 . . . . ?
C39 C34 C35 P2 -178(2) . . . . ?
C39 C34 C35 C36 0.0 . . . . ?
C40 C6 C54 C49 -6(5) . . . . ?
C40 C6 C117 C87 -3(5) . . . . ?
C40 C15 C52 P6 -176(2) . . . . ?
C40 C15 C52 C49 -9(5) . . . . ?
C40 C15 C113 C57 102(4) . . . . ?
C40 C15 C113 C79 -86(5) . . . . ?
C40 C106 C116 C87 1(6) . . . . ?
C41 C65 C147 P2 174(3) . . . . ?
C41 C65 C147 C61 2(7) . . . . ?
C41 C76 C85 C13 176(4) . . . . ?
C41 C76 C85 C61 -6(7) . . . . ?
C43 P5 C33 C45 -34(4) . . . . ?
C43 P5 C33 C78 144(3) . . . . ?
C43 P5 C57 C30 91(4) . . . . ?
C43 P5 C57 C113 -76(3) . . . . ?
C43 C5 C88 C67 -7(6) . . . . ?
C44 C16 C77 P3 178(3) . . . . ?
C44 C16 C77 C27 -4(5) . . . . ?
C44 C16 C137 C132 -81(4) . . . . ?
C44 C16 C137 C136 103(3) . . . . ?
C44 C74 C90 C115 1(7) . . . . ?
C44 C149 C150 C115 1(6) . . . . ?
C45 C33 C78 C56 -5(5) . . . . ?
C46 P4 C136 C135 49.1(14) . . . . ?
C46 P4 C136 C137 -121.3(14) . . . . ?
C46 P4 C144 C2 -152(3) . . . . ?
C46 P4 C144 C3 30(3) . . . . ?
C46 C4 C59 C50 8(5) . . . . ?
C46 C42 C146 C50 -3(5) . . . . ?
C47 C1 C14 S1 11(5) . . . . ?
C47 C1 C14 C28 179(4) . . . . ?
C47 C1 C51 C89 176(3) . . . . ?
C51 C1 C14 S1 -170(3) . . . . ?
C51 C1 C14 C28 -2(5) . . . . ?
C51 C1 C47 O1 23(5) . . . . ?
C51 C1 C47 O2 -162(3) . . . . ?
C52 P6 C12 C7 -152.9(17) . . . . ?
C52 P6 C12 C11 29(2) . . . . ?
C52 P6 C60 C99 -67.8(19) . . . . ?
C52 P6 C60 C75 119.7(17) . . . . ?
C52 C15 C40 C6 4(5) . . . . ?
C52 C15 C40 C106 -175(3) . . . . ?
C52 C15 C113 C57 -82(5) . . . . ?
C52 C15 C113 C79 89(6) . . . . ?
C52 C49 C54 C6 2(5) . . . . ?
C53 C56 C78 C33 3(5) . . . . ?
C54 C6 C40 C15 3(5) . . . . ?
C54 C6 C40 C106 -178(3) . . . . ?
C54 C6 C117 C87 173(3) . . . . ?
C54 C49 C52 P6 174(3) . . . . ?
C54 C49 C52 C15 7(5) . . . . ?
C55 C13 C85 C61 179(4) . . . . ?
C55 C13 C85 C76 -3(7) . . . . ?
C56 C53 C98 C45 2(6) . . . . ?
C57 P5 C33 C45 77(4) . . . . ?
C57 P5 C33 C78 -104(3) . . . . ?
C57 P5 C43 C5 -30(3) . . . . ?
C57 P5 C43 C145 146(3) . . . . ?
C57 C30 C66 C80 1(6) . . . . ?
C59 C4 C46 P4 173(2) . . . . ?
C59 C4 C46 C42 -7(5) . . . . ?
C59 C50 C146 C42 4(5) . . . . ?
C61 C17 C18 P1 -17.2(18) . . . . ?
C61 C17 C18 C19 174(2) . . . . ?
C61 C17 C22 C21 -174(2) . . . . ?
C61 C17 C22 C23 6(2) . . . . ?
C62 C27 C77 P3 -178(3) . . . . ?
C62 C27 C77 C16 4(6) . . . . ?
C62 C74 C90 C115 -169(4) . . . . ?
C63 C67 C88 C5 -1(6) . . . . ?
C64 C3 C144 P4 -180(3) . . . . ?
C64 C3 C144 C2 2(5) . . . . ?
C64 C108 C114 C2 0(5) . . . . ?
C65 C41 C76 C31 -173(4) . . . . ?
C65 C41 C76 C85 8(6) . . . . ?
C66 C30 C57 P5 -167(3) . . . . ?
C66 C30 C57 C113 0(6) . . . . ?
C66 C80 C81 C82 -178(3) . . . . ?
C67 C63 C145 C43 -13(5) . . . . ?
C68 P3 C77 C16 168(3) . . . . ?
C68 P3 C77 C27 -10(4) . . . . ?
C68 C69 C70 C71 0.0 . . . . ?
C69 C68 C73 C72 0.0 . . . . ?
C69 C70 C71 C72 0.0 . . . . ?
C70 C71 C72 C73 0.0 . . . . ?
C71 C72 C73 C68 0.0 . . . . ?
C73 C68 C69 C70 0.0 . . . . ?
C74 C44 C149 C150 -2(6) . . . . ?
C74 C90 C115 C150 -2(6) . . . . ?
C76 C31 C109 C55 2(7) . . . . ?
C76 C41 C65 C147 -5(6) . . . . ?
C77 P3 C68 C69 91.4(18) . . . . ?
C77 P3 C68 C73 -94.2(17) . . . . ?
C77 C16 C44 C74 8(6) . . . . ?
C77 C16 C44 C149 -173(3) . . . . ?
C77 C16 C137 C132 90(3) . . . . ?
C77 C16 C137 C136 -86(4) . . . . ?
C77 C27 C62 C74 -5(6) . . . . ?
C78 C33 C45 C98 6(6) . . . . ?
C79 C80 C81 C82 0.0 . . . . ?
C80 C79 C84 C83 0.0 . . . . ?
C80 C79 C113 C15 -173(3) . . . . ?
C80 C79 C113 C57 -2(4) . . . . ?
C80 C81 C82 C83 0.0 . . . . ?
C81 C82 C83 C84 0.0 . . . . ?
C82 C83 C84 C79 0.0 . . . . ?
C84 C79 C80 C66 178(3) . . . . ?
C84 C79 C80 C81 0.0 . . . . ?
C84 C79 C113 C15 11(5) . . . . ?
C84 C79 C113 C57 -178(3) . . . . ?
C85 C13 C55 C109 9(7) . . . . ?
C85 C61 C147 P2 -173(3) . . . . ?
C85 C61 C147 C65 -1(6) . . . . ?
C88 C5 C43 P5 180(3) . . . . ?
C88 C5 C43 C145 4(5) . . . . ?
C90 C115 C150 C149 1(6) . . . . ?
C92 C93 C94 C95 0.0 . . . . ?
C92 C93 C107 O7 122(4) . . . . ?
C92 C93 C107 O9 -30(10) . . . . ?
C93 C92 C97 C96 0.0 . . . . ?
C93 C94 C95 C96 0.0 . . . . ?
C94 C93 C107 O7 -67(5) . . . . ?
C94 C93 C107 O9 141(6) . . . . ?
C94 C95 C96 C97 0.0 . . . . ?
C95 C96 C97 C92 0.0 . . . . ?
C97 C92 C93 C94 0.0 . . . . ?
C97 C92 C93 C107 171(6) . . . . ?
C98 C53 C56 C78 -1(6) . . . . ?
C99 C60 C75 C86 0.0 . . . . ?
C60 P6 C12 C7 92.6(19) . . . . ?
C60 P6 C12 C11 -85(2) . . . . ?
C60 P6 C52 C15 -39(3) . . . . ?
C60 P6 C52 C49 153(3) . . . . ?
C60 C99 C110 C112 0.0 . . . . ?
C60 C75 C86 C112 0.0 . . . . ?
C75 C86 C112 C110 0.0 . . . . ?
C86 C112 C110 C99 0.0 . . . . ?
C110 C99 C60 P6 -172(2) . . . . ?
C110 C99 C60 C75 0.0 . . . . ?
C100 C101 C102 C103 0.0 . . . . ?
C101 C100 C105 C104 0.0 . . . . ?
C101 C102 C103 P1 167(3) . . . . ?
C101 C102 C103 C104 0.0 . . . . ?
C102 C103 C104 C105 0.0 . . . . ?
C103 P1 C18 C17 -93.9(14) . . . . ?
C103 P1 C18 C19 75.0(15) . . . . ?
C103 P1 C141 C140 48(2) . . . . ?
C103 P1 C141 C142 -133(2) . . . . ?
C103 C104 C105 C100 0.0 . . . . ?
C105 C100 C101 C102 0.0 . . . . ?
C107 C93 C94 C95 -172(5) . . . . ?
C109 C31 C76 C41 -175(4) . . . . ?
C109 C31 C76 C85 4(6) . . . . ?
C113 C15 C40 C6 -180(4) . . . . ?
C113 C15 C40 C106 1(4) . . . . ?
C113 C15 C52 P6 8(5) . . . . ?
C113 C15 C52 C49 175(4) . . . . ?
C113 C79 C80 C66 2(3) . . . . ?
C113 C79 C80 C81 -176(3) . . . . ?
C113 C79 C84 C83 177(3) . . . . ?
C114 C2 C144 P4 178(2) . . . . ?
C114 C2 C144 C3 -3(5) . . . . ?
C116 C87 C117 C6 7(5) . . . . ?
C117 C6 C40 C15 179(3) . . . . ?
C117 C6 C40 C106 -2(6) . . . . ?
C117 C6 C54 C49 177(3) . . . . ?
C117 C87 C116 C106 -6(6) . . . . ?
C122 C123 C124 P3 174(3) . . . . ?
C122 C123 C124 C125 0.0 . . . . ?
C123 C122 C127 C126 0.0 . . . . ?
C123 C124 C125 C126 0.0 . . . . ?
C124 P3 C68 C69 -14(2) . . . . ?
C124 P3 C68 C73 160.0(17) . . . . ?
C124 P3 C77 C16 -76(3) . . . . ?
C124 P3 C77 C27 106(3) . . . . ?
C124 C125 C126 C127 0.0 . . . . ?
C125 C126 C127 C122 0.0 . . . . ?
C127 C122 C123 C124 0.0 . . . . ?
C128 C129 C130 C131 0.0 . . . . ?
C128 C133 C134 C135 180.0 . . . . ?
C129 C128 C133 C132 0.0 . . . . ?
C129 C128 C133 C134 180.0 . . . . ?
C129 C130 C131 C132 0.0 . . . . ?
C130 C131 C132 C133 0.0 . . . . ?
C130 C131 C132 C137 180.0 . . . . ?
C131 C132 C133 C128 0.0 . . . . ?
C131 C132 C133 C134 180.0 . . . . ?
C131 C132 C137 C16 3(3) . . . . ?
C131 C132 C137 C136 180.0 . . . . ?
C132 C133 C134 C135 0.0 . . . . ?
C133 C128 C129 C130 0.0 . . . . ?
C133 C132 C137 C16 -177(3) . . . . ?
C133 C132 C137 C136 0.0 . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C134 C135 C136 P4 -171.5(15) . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C136 C137 C16 177(3) . . . . ?
C135 C136 C137 C132 0.0 . . . . ?
C136 P4 C46 C4 25(3) . . . . ?
C136 P4 C46 C42 -155(2) . . . . ?
C136 P4 C144 C2 95(3) . . . . ?
C136 P4 C144 C3 -83(3) . . . . ?
C137 C16 C44 C74 180(3) . . . . ?
C137 C16 C44 C149 -1(5) . . . . ?
C137 C16 C77 P3 6(5) . . . . ?
C137 C16 C77 C27 -176(3) . . . . ?
C137 C132 C133 C128 180.0 . . . . ?
C137 C132 C133 C134 0.0 . . . . ?
C138 C139 C140 C141 0.0 . . . . ?
C139 C138 C143 C142 0.0 . . . . ?
C139 C140 C141 P1 179(2) . . . . ?
C139 C140 C141 C142 0.0 . . . . ?
C140 C141 C142 C143 0.0 . . . . ?
C141 P1 C18 C17 152.8(12) . . . . ?
C141 P1 C18 C19 -38.3(14) . . . . ?
C141 P1 C103 C102 47(2) . . . . ?
C141 P1 C103 C104 -145(2) . . . . ?
C141 C142 C143 C138 0.0 . . . . ?
C143 C138 C139 C140 0.0 . . . . ?
C144 P4 C46 C4 -95(3) . . . . ?
C144 P4 C46 C42 85(2) . . . . ?
C144 P4 C136 C135 161.3(16) . . . . ?
C144 P4 C136 C137 -9(2) . . . . ?
C144 C2 C114 C108 2(5) . . . . ?
C144 C3 C64 C108 1(5) . . . . ?
C145 C63 C67 C88 10(5) . . . . ?
C146 C42 C46 P4 -176(2) . . . . ?
C146 C42 C46 C4 4(4) . . . . ?
C146 C50 C59 C4 -7(5) . . . . ?
C147 P2 C35 C34 132(2) . . . . ?
C147 P2 C35 C36 -46(2) . . . . ?
C147 P2 C29 C148 -77.8(17) . . . . ?
C147 P2 C29 C32 104.7(17) . . . . ?
C147 C61 C85 C13 -180(4) . . . . ?
C147 C61 C85 C76 3(6) . . . . ?
C148 C58 C111 C91 0.0 . . . . ?
C58 C148 C29 P2 -177.6(16) . . . . ?
C58 C148 C29 C32 0.0 . . . . ?
C58 C111 C91 C32 0.0 . . . . ?
C111 C91 C32 C29 0.0 . . . . ?
C91 C32 C29 P2 177.4(17) . . . . ?
C91 C32 C29 C148 0.0 . . . . ?
C29 P2 C35 C34 -118.3(16) . . . . ?
C29 P2 C35 C36 63.9(18) . . . . ?
C29 C148 C58 C111 0.0 . . . . ?
C149 C44 C74 C62 172(3) . . . . ?
C149 C44 C74 C90 1(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.021 -0.923 -0.202 5671.6 1484.9 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_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 4.704
_oxdiff_exptl_absorpt_empirical_full_min 0.505
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_R_Au8d
_database_code_depnum_ccdc_archive 'CCDC 2179303'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2022-06-15 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_audit_creation_date             2022-06-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C146 H104 Au8 O4 P6 S2'
_chemical_formula_sum            'C146 H104 Au8 O4 P6 S2'
_chemical_formula_weight         3747.96
_chemical_absolute_configuration syn
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   20.5564(14)
_cell_length_b                   25.7288(16)
_cell_length_c                   26.0976(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13802.8(16)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9997
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      69.876
_cell_measurement_theta_min      3.231
_shelx_estimated_absorpt_T_max   0.849
_shelx_estimated_absorpt_T_min   0.486
_exptl_absorpt_coefficient_mu    16.890
_exptl_absorpt_correction_T_max  0.3220
_exptl_absorpt_correction_T_min  0.1452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1228 before and 0.0724 after correction.
The Ratio of minimum to maximum transmission is 0.4509.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.804
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             7064
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0465
_diffrn_reflns_av_unetI/netI     0.0468
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            80987
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        67.069
_diffrn_reflns_theta_max         67.069
_diffrn_reflns_theta_min         3.231
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean ?
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.854
_reflns_Friedel_fraction_full    0.991
_reflns_Friedel_fraction_max     0.991
_reflns_number_gt                23184
_reflns_number_total             24480
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2018/2 (Sheldrick, 2018)'
_refine_diff_density_max         1.206
_refine_diff_density_min         -1.896
_refine_diff_density_rms         0.182
_refine_ls_abs_structure_details 
;
 Flack x determined using 9812 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.041(4)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1495
_refine_ls_number_reflns         24480
_refine_ls_number_restraints     1050
_refine_ls_R_factor_all          0.0479
_refine_ls_R_factor_gt           0.0457
_refine_ls_restrained_S_all      1.016
_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)+(0.0459P)²+152.9039P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1107
_refine_ls_wR_factor_ref         0.1122
_refine_special_details          ?
_olex2_refinement_description    
;
1. Uiso/Uaniso restraints and constraints
S1 \\sim C7 \\sim C27 \\sim C28 \\sim C82 \\sim C83 \\sim C107 \\sim C120:
within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
P4 \\sim P6 \\sim C6 \\sim C8 \\sim C9 \\sim C12 \\sim C14 \\sim C15 \\sim C16
\\sim C19 \\sim C20 \\sim C25 \\sim C34 \\sim C35 \\sim C36 \\sim C37 \\sim C40
\\sim C41 \\sim C47 \\sim C52 \\sim C56 \\sim C57 \\sim C62 \\sim C64 \\sim C68
\\sim C72 \\sim C74 \\sim C76 \\sim C78 \\sim C84 \\sim C96 \\sim C98 \\sim
C101 \\sim C102 \\sim C106 \\sim C108 \\sim C116 \\sim C118 \\sim C121 \\sim
C126 \\sim C133 \\sim C136 \\sim C138 \\sim C139 \\sim C144: within 2A with
sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
P3 \\sim P5 \\sim C2 \\sim C4 \\sim C10 \\sim C11 \\sim C13 \\sim C22 \\sim C23
\\sim C30 \\sim C31 \\sim C33 \\sim C42 \\sim C44 \\sim C49 \\sim C51 \\sim C54
\\sim C55 \\sim C58 \\sim C65 \\sim C67 \\sim C71 \\sim C75 \\sim C79 \\sim C85
\\sim C86 \\sim C88 \\sim C90 \\sim C92 \\sim C93 \\sim C95 \\sim C100 \\sim
C105 \\sim C110 \\sim C114 \\sim C117 \\sim C122 \\sim C123 \\sim C127 \\sim
C129 \\sim C131 \\sim C134 \\sim C137 \\sim C141 \\sim C143 \\sim C146: within
2A with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
P1 \\sim P2 \\sim C5 \\sim C17 \\sim C18 \\sim C21 \\sim C24 \\sim C26 \\sim
C29 \\sim C32 \\sim C38 \\sim C39 \\sim C43 \\sim C45 \\sim C46 \\sim C48 \\sim
C50 \\sim C53 \\sim C60 \\sim C61 \\sim C63 \\sim C66 \\sim C70 \\sim C77 \\sim
C80 \\sim C81 \\sim C87 \\sim C91 \\sim C94 \\sim C97 \\sim C99 \\sim C103
\\sim C104 \\sim C109 \\sim C112 \\sim C113 \\sim C115 \\sim C119 \\sim C124
\\sim C128 \\sim C130 \\sim C132 \\sim C135 \\sim C140 \\sim C145 \\sim C148:
within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
S2 \\sim O1 \\sim O4 \\sim C1 \\sim C3 \\sim C59 \\sim C69 \\sim C89 \\sim C111
\\sim C125: within 2A with sigma of 0.004 and sigma for terminal atoms of 0.008
within 2A
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C19(H19), C21(H21), C22(H22), C24(H24),
  C25(H25), C27(H27), C29(H29), C31(H31), C33(H33), C35(H35), C36(H36),
 C37(H37), C39(H39), C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46),
  C47(H47), C50(H50), C51(H51), C52(H52), C53(H53), C54(H54), C58(H58),
 C59(H59), C60(H60), C61(H61), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66),
  C67(H67), C69(H69), C71(H71), C72(H72), C74(H74), C75(H75), C76(H76),
 C79(H79), C80(H80), C81(H81), C84(H84), C85(H85), C88(H88), C90(H90), C91(H91),
  C92(H92), C94(H94), C98(H98), C99(H99), C101(H101), C102(H102), C105(H105),
 C106(H106), C107(H107), C108(H108), C109(H109), C110(H110), C112(H112),
 C113(H113), C114(H114), C115(H115), C116(H116), C118(H118), C119(H119),
 C120(H120), C121(H121), C122(H122), C123(H123), C125(H125), C126(H126),
 C127(H127), C129(H129), C130(H130), C131(H131), C132(H132), C135(H135),
 C137(H137), C138(H138), C139(H139), C140(H140), C141(H141), C142(H142),
 C143(H143), C144(H144), C145(H145), C146(H146), C148(H148)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.76309(3) 0.45108(3) 0.67781(2) 0.03299(15) Uani 1 1 d . . . . .
Au2 Au 0.61986(3) 0.46605(3) 0.63028(3) 0.03356(15) Uani 1 1 d . . . . .
Au3 Au 0.54400(3) 0.38192(3) 0.62808(3) 0.03392(15) Uani 1 1 d . . . . .
Au4 Au 0.67299(3) 0.37263(3) 0.64277(3) 0.03320(15) Uani 1 1 d . . . . .
Au5 Au 0.74924(3) 0.36433(3) 0.73567(3) 0.03462(15) Uani 1 1 d . . . . .
Au6 Au 0.65566(3) 0.43890(3) 0.73283(3) 0.03393(15) Uani 1 1 d . . . . .
Au7 Au 0.49909(3) 0.47247(3) 0.69389(3) 0.03648(16) Uani 1 1 d . . . . .
Au8 Au 0.71567(3) 0.55736(3) 0.68871(3) 0.03524(15) Uani 1 1 d . . . . .
S1 S 0.6257(2) 0.55850(15) 0.63383(15) 0.0352(8) Uani 1 1 d . U . . .
S2 S 0.5529(2) 0.45408(16) 0.77174(16) 0.0385(9) Uani 1 1 d . U . . .
P1 P 0.7804(2) 0.29364(16) 0.78304(16) 0.0368(9) Uani 1 1 d . U . . .
P2 P 0.7149(2) 0.29122(15) 0.62812(16) 0.0335(8) Uani 1 1 d . U . . .
P3 P 0.4527(2) 0.33071(17) 0.63621(18) 0.0397(9) Uani 1 1 d . U . . .
P4 P 0.8437(2) 0.48225(16) 0.62339(17) 0.0358(8) Uani 1 1 d . U . . .
P5 P 0.4338(2) 0.49935(18) 0.62880(19) 0.0425(9) Uani 1 1 d . U . . .
P6 P 0.7854(2) 0.56101(17) 0.75586(16) 0.0373(9) Uani 1 1 d . U . . .
O1 O 0.4757(10) 0.4492(7) 0.8691(7) 0.089(4) Uani 1 1 d . U . . .
O2 O 0.6246(9) 0.7245(5) 0.5900(7) 0.068(4) Uani 1 1 d . . . . .
O3 O 0.6626(10) 0.6680(5) 0.6478(6) 0.079(5) Uani 1 1 d . . . . .
O4 O 0.5130(11) 0.4997(8) 0.9299(7) 0.098(5) Uani 1 1 d . U . . .
C1 C 0.5802(10) 0.5592(7) 0.7704(8) 0.050(3) Uani 1 1 d . U . . .
H1 H 0.598655 0.552948 0.737619 0.060 Uiso 1 1 calc R U . . .
C2 C 0.4477(10) 0.3923(8) 0.5087(7) 0.048(2) Uani 1 1 d . U . . .
C3 C 0.5029(14) 0.4883(10) 0.8832(9) 0.072(3) Uani 1 1 d . U . . .
C4 C 0.4508(9) 0.2731(7) 0.5979(7) 0.041(2) Uani 1 1 d . U . . .
C5 C 0.9046(8) 0.3214(6) 0.6114(7) 0.036(2) Uani 1 1 d . U . . .
H5 H 0.928411 0.343587 0.589198 0.043 Uiso 1 1 calc R U . . .
C6 C 0.9979(9) 0.6001(7) 0.6479(8) 0.043(2) Uani 1 1 d . U . . .
H6 H 0.971786 0.605190 0.618315 0.052 Uiso 1 1 calc R U . . .
C7 C 0.6596(11) 0.5683(7) 0.4808(7) 0.049(3) Uani 1 1 d . U . . .
H7 H 0.667521 0.544695 0.453470 0.059 Uiso 1 1 calc R U . . .
C8 C 0.9966(9) 0.4147(7) 0.6953(7) 0.043(2) Uani 1 1 d . U . . .
H8 H 1.002327 0.390149 0.722174 0.051 Uiso 1 1 calc R U . . .
C9 C 0.8104(11) 0.7135(7) 0.5878(9) 0.054(3) Uani 1 1 d . U . . .
H9 H 0.789794 0.723996 0.556919 0.065 Uiso 1 1 calc R U . . .
C10 C 0.5119(9) 0.2495(7) 0.5858(7) 0.041(2) Uani 1 1 d . U . . .
H10 H 0.551012 0.264304 0.598528 0.049 Uiso 1 1 calc R U . . .
C11 C 0.4707(11) 0.6534(8) 0.6480(9) 0.058(3) Uani 1 1 d . U . . .
H11 H 0.484505 0.675297 0.675227 0.069 Uiso 1 1 calc R U . . .
C12 C 0.8995(8) 0.5738(6) 0.6983(7) 0.040(2) Uani 1 1 d . U . . .
C13 C 0.4689(10) 0.3238(8) 0.7933(8) 0.052(3) Uani 1 1 d . U . . .
H13 H 0.481094 0.347699 0.819336 0.063 Uiso 1 1 calc R U . . .
C14 C 0.8726(9) 0.5585(7) 0.7441(7) 0.0402(19) Uani 1 1 d . U . . .
C15 C 1.0770(9) 0.5823(7) 0.7355(9) 0.049(3) Uani 1 1 d . U . . .
H15 H 1.104860 0.574899 0.763616 0.058 Uiso 1 1 calc R U . . .
C16 C 1.0511(9) 0.4360(7) 0.6699(7) 0.043(2) Uani 1 1 d . U . . .
H16 H 1.093955 0.427020 0.680234 0.052 Uiso 1 1 calc R U . . .
C17 C 0.7525(12) 0.2797(8) 0.8896(7) 0.057(3) Uani 1 1 d . U . . .
H17 H 0.795514 0.266785 0.893583 0.068 Uiso 1 1 calc R U . . .
C18 C 0.6565(9) 0.2908(7) 0.5324(6) 0.040(2) Uani 1 1 d . U . . .
H18 H 0.630996 0.318568 0.545569 0.048 Uiso 1 1 calc R U . . .
C19 C 0.9149(8) 0.5483(7) 0.7863(7) 0.041(2) Uani 1 1 d . U . . .
H19 H 0.896749 0.536207 0.817572 0.050 Uiso 1 1 calc R U . . .
C20 C 0.9698(8) 0.5819(7) 0.6932(8) 0.042(2) Uani 1 1 d . U . . .
C21 C 0.6165(10) 0.1582(7) 0.6680(7) 0.048(3) Uani 1 1 d . U . . .
H21 H 0.612690 0.123362 0.656399 0.058 Uiso 1 1 calc R U . . .
C22 C 0.2597(10) 0.3592(7) 0.6364(8) 0.051(3) Uani 1 1 d . U . . .
H22 H 0.223845 0.345787 0.655289 0.061 Uiso 1 1 calc R U . . .
C23 C 0.4999(11) 0.4148(8) 0.4796(7) 0.050(2) Uani 1 1 d . U . . .
C24 C 0.8389(9) 0.3203(6) 0.6085(6) 0.035(2) Uani 1 1 d . U . . .
H24 H 0.817087 0.342297 0.584835 0.042 Uiso 1 1 calc R U . . .
C25 C 0.9803(9) 0.4848(7) 0.6166(7) 0.042(2) Uani 1 1 d . U . . .
H25 H 0.974691 0.509240 0.589613 0.050 Uiso 1 1 calc R U . . .
C26 C 0.7084(9) 0.2698(6) 0.5625(6) 0.036(2) Uani 1 1 d . U . . .
C27 C 0.6552(11) 0.6202(7) 0.4721(7) 0.050(3) Uani 1 1 d . U . . .
H27 H 0.657010 0.632745 0.437886 0.060 Uiso 1 1 calc R U . . .
C28 C 0.6442(9) 0.5859(7) 0.5709(7) 0.041(2) Uani 1 1 d . U . . .
C29 C 0.7816(11) 0.0603(8) 0.6554(7) 0.053(3) Uani 1 1 d . U . . .
H29 H 0.776304 0.026185 0.641997 0.064 Uiso 1 1 calc R U . . .
C30 C 0.4464(10) 0.3085(7) 0.7012(8) 0.048(2) Uani 1 1 d . U . . .
C31 C 0.5030(10) 0.4833(8) 0.5401(7) 0.047(2) Uani 1 1 d . U . . .
H31 H 0.524733 0.513101 0.552928 0.057 Uiso 1 1 calc R U . . .
C32 C 0.7302(10) 0.2949(8) 0.8414(7) 0.048(2) Uani 1 1 d . U . . .
C33 C 0.5223(10) 0.3877(8) 0.4337(8) 0.050(3) Uani 1 1 d . U . . .
H33 H 0.556383 0.401467 0.413237 0.060 Uiso 1 1 calc R U . . .
C34 C 0.7759(8) 0.6223(7) 0.7908(7) 0.040(2) Uani 1 1 d . U . . .
C35 C 0.8274(10) 0.7500(7) 0.6240(8) 0.053(3) Uani 1 1 d . U . . .
H35 H 0.821180 0.786070 0.617891 0.064 Uiso 1 1 calc R U . . .
C36 C 0.7485(9) 0.6638(7) 0.7633(7) 0.043(2) Uani 1 1 d . U . . .
H36 H 0.730532 0.659373 0.730042 0.052 Uiso 1 1 calc R U . . .
C37 C 0.7317(10) 0.4361(7) 0.8749(7) 0.046(3) Uani 1 1 d . U . . .
H37 H 0.719297 0.409165 0.897876 0.055 Uiso 1 1 calc R U . . .
C38 C 0.9050(8) 0.2542(6) 0.6781(7) 0.038(2) Uani 1 1 d . U . . .
C39 C 0.5856(10) 0.2253(7) 0.7269(8) 0.048(3) Uani 1 1 d . U . . .
H39 H 0.561790 0.235973 0.756235 0.057 Uiso 1 1 calc R U . . .
C40 C 0.9258(8) 0.4651(7) 0.6415(7) 0.039(2) Uani 1 1 d . U . . .
C41 C 0.7849(10) 0.4301(7) 0.8447(7) 0.045(3) Uani 1 1 d . U . . .
H41 H 0.810408 0.399464 0.847833 0.054 Uiso 1 1 calc R U . . .
C42 C 0.3312(9) 0.4694(7) 0.6893(8) 0.048(3) Uani 1 1 d . U . . .
H42 H 0.361966 0.449067 0.707528 0.058 Uiso 1 1 calc R U . . .
C43 C 0.8997(10) 0.3367(7) 0.7986(7) 0.046(2) Uani 1 1 d . U . . .
H43 H 0.880912 0.365461 0.781208 0.056 Uiso 1 1 calc R U . . .
C44 C 0.3954(10) 0.2497(7) 0.5765(7) 0.045(2) Uani 1 1 d . U . . .
H44 H 0.354109 0.264816 0.583396 0.054 Uiso 1 1 calc R U . . .
C45 C 0.8873(10) 0.2512(7) 0.8315(7) 0.047(2) Uani 1 1 d . U . . .
H45 H 0.860203 0.221910 0.837320 0.056 Uiso 1 1 calc R U . . .
C46 C 0.7339(9) 0.2107(7) 0.4938(7) 0.042(2) Uani 1 1 d . U . . .
H46 H 0.761676 0.184577 0.480150 0.051 Uiso 1 1 calc R U . . .
C47 C 0.8626(10) 0.4306(8) 0.4748(8) 0.050(3) Uani 1 1 d . U . . .
H47 H 0.895775 0.427323 0.449728 0.060 Uiso 1 1 calc R U . . .
C48 C 0.6646(9) 0.2447(7) 0.6608(7) 0.040(2) Uani 1 1 d . U . . .
C49 C 0.4464(10) 0.5672(7) 0.6146(8) 0.050(2) Uani 1 1 d . U . . .
C50 C 0.6262(9) 0.2601(7) 0.7019(7) 0.044(2) Uani 1 1 d . U . . .
H50 H 0.627813 0.295152 0.713207 0.053 Uiso 1 1 calc R U . . .
C51 C 0.5270(10) 0.4631(8) 0.4970(7) 0.048(3) Uani 1 1 d . U . . .
H51 H 0.560756 0.480002 0.478555 0.057 Uiso 1 1 calc R U . . .
C52 C 1.0408(9) 0.4700(7) 0.6299(7) 0.044(2) Uani 1 1 d . U . . .
H52 H 1.077069 0.483177 0.611486 0.053 Uiso 1 1 calc R U . . .
C53 C 0.7300(10) 0.1396(7) 0.7673(7) 0.045(2) Uani 1 1 d . U . . .
H53 H 0.706758 0.114045 0.786134 0.054 Uiso 1 1 calc R U . . .
C54 C 0.5147(10) 0.2025(7) 0.5538(7) 0.044(3) Uani 1 1 d . U . . .
H54 H 0.554335 0.184467 0.548073 0.053 Uiso 1 1 calc R U . . .
C55 C 0.4227(10) 0.4166(7) 0.5541(7) 0.045(2) Uani 1 1 d . U . . .
C56 C 0.8401(8) 0.5528(6) 0.6138(6) 0.0368(19) Uani 1 1 d . U . . .
C57 C 0.8517(9) 0.6452(7) 0.6424(8) 0.044(2) Uani 1 1 d . U . . .
C58 C 0.4753(10) 0.3372(8) 0.7404(8) 0.051(3) Uani 1 1 d . U . . .
H58 H 0.500346 0.366847 0.731604 0.061 Uiso 1 1 calc R U . . .
C59 C 0.5803(11) 0.6096(8) 0.7910(8) 0.055(3) Uani 1 1 d . U . . .
H59 H 0.597376 0.637523 0.771357 0.066 Uiso 1 1 calc R U . . .
C60 C 0.6795(9) 0.2284(7) 0.4653(7) 0.043(3) Uani 1 1 d . U . . .
H60 H 0.667662 0.211988 0.434012 0.052 Uiso 1 1 calc R U . . .
C61 C 1.0421(9) 0.2555(6) 0.6861(7) 0.042(2) Uani 1 1 d . U . . .
H61 H 1.088239 0.255943 0.687969 0.051 Uiso 1 1 calc R U . . .
C62 C 0.9354(9) 0.4297(7) 0.6809(7) 0.042(2) Uani 1 1 d . U . . .
H62 H 0.898811 0.415640 0.698256 0.050 Uiso 1 1 calc R U . . .
C63 C 0.9916(11) 0.2992(7) 0.8454(8) 0.052(3) Uani 1 1 d . U . . .
H63 H 1.031847 0.301871 0.863004 0.062 Uiso 1 1 calc R U . . .
C64 C 0.7154(10) 0.5197(7) 0.8357(7) 0.045(2) Uani 1 1 d . U . . .
H64 H 0.691431 0.551157 0.832779 0.054 Uiso 1 1 calc R U . . .
C65 C 0.3015(10) 0.5224(8) 0.6182(9) 0.054(3) Uani 1 1 d . U . . .
H65 H 0.313209 0.538392 0.586726 0.065 Uiso 1 1 calc R U . . .
C66 C 0.7462(9) 0.2313(7) 0.5409(7) 0.041(2) Uani 1 1 d . U . . .
H66 H 0.782355 0.218586 0.559689 0.049 Uiso 1 1 calc R U . . .
C67 C 0.4273(11) 0.5883(8) 0.5687(9) 0.057(3) Uani 1 1 d . U . . .
H67 H 0.409059 0.567524 0.542265 0.068 Uiso 1 1 calc R U . . .
C68 C 0.8606(8) 0.5869(6) 0.6516(7) 0.038(2) Uani 1 1 d . U . . .
C69 C 0.5547(11) 0.6199(9) 0.8418(8) 0.058(3) Uani 1 1 d . U . . .
H69 H 0.553928 0.654083 0.855500 0.070 Uiso 1 1 calc R U . . .
C70 C 0.9390(8) 0.2895(6) 0.6477(7) 0.037(2) Uani 1 1 d . U . . .
C71 C 0.4356(12) 0.6394(8) 0.5630(10) 0.062(3) Uani 1 1 d . U . . .
H71 H 0.428513 0.653570 0.529798 0.075 Uiso 1 1 calc R U . . .
C72 C 1.0663(9) 0.6111(7) 0.6461(8) 0.046(3) Uani 1 1 d . U . . .
H72 H 1.087052 0.623042 0.615805 0.056 Uiso 1 1 calc R U . . .
C74 C 0.8116(9) 0.5713(6) 0.5684(7) 0.041(2) Uani 1 1 d . U . . .
H74 H 0.797391 0.546533 0.543861 0.049 Uiso 1 1 calc R U . . .
C75 C 0.3977(10) 0.2062(7) 0.5460(7) 0.048(3) Uani 1 1 d . U . . .
H75 H 0.358731 0.190285 0.534154 0.057 Uiso 1 1 calc R U . . .
C76 C 0.8787(10) 0.4529(8) 0.5227(7) 0.046(2) Uani 1 1 d . U . . .
H76 H 0.921532 0.464986 0.529265 0.055 Uiso 1 1 calc R U . . .
C77 C 0.8354(9) 0.2519(6) 0.6775(6) 0.038(2) Uani 1 1 d . U . . .
C78 C 0.8299(9) 0.4569(7) 0.5603(7) 0.040(2) Uani 1 1 d . U . . .
C79 C 0.4574(10) 0.1860(7) 0.5328(7) 0.048(3) Uani 1 1 d . U . . .
H79 H 0.458939 0.159134 0.507864 0.057 Uiso 1 1 calc R U . . .
C80 C 0.9688(10) 0.3404(7) 0.8165(8) 0.049(3) Uani 1 1 d . U . . .
H80 H 0.995478 0.369492 0.808509 0.059 Uiso 1 1 calc R U . . .
C81 C 0.6668(11) 0.3126(8) 0.8361(7) 0.054(3) Uani 1 1 d . U . . .
H81 H 0.650680 0.323447 0.803746 0.064 Uiso 1 1 calc R U . . .
C82 C 0.6450(10) 0.6385(7) 0.5630(7) 0.046(2) Uani 1 1 d . U . . .
C83 C 0.6439(11) 0.6801(7) 0.6045(8) 0.048(3) Uani 1 1 d . U . . .
C84 C 0.7662(10) 0.4351(7) 0.5480(7) 0.046(2) Uani 1 1 d . U . . .
H84 H 0.733038 0.434127 0.573327 0.056 Uiso 1 1 calc R U . . .
C85 C 0.1767(11) 0.4349(9) 0.5348(9) 0.059(3) Uani 1 1 d . U . . .
H85 H 0.133385 0.442487 0.524553 0.070 Uiso 1 1 calc R U . . .
C86 C 0.2484(10) 0.3922(8) 0.5947(8) 0.054(2) Uani 1 1 d . U . . .
C87 C 0.8020(8) 0.2865(6) 0.6405(6) 0.0363(19) Uani 1 1 d . U . . .
C88 C 0.1868(11) 0.4055(8) 0.5750(9) 0.057(3) Uani 1 1 d . U . . .
H88 H 0.149715 0.392106 0.592161 0.068 Uiso 1 1 calc R U . . .
C89 C 0.5523(10) 0.5175(7) 0.7986(7) 0.048(2) Uani 1 1 d . U . . .
C90 C 0.4199(10) 0.2591(8) 0.7146(8) 0.050(3) Uani 1 1 d . U . . .
H90 H 0.404253 0.236871 0.688282 0.060 Uiso 1 1 calc R U . . .
C91 C 0.9541(10) 0.2525(8) 0.8485(8) 0.049(3) Uani 1 1 d . U . . .
H91 H 0.973402 0.221876 0.862019 0.059 Uiso 1 1 calc R U . . .
C92 C 0.3186(10) 0.3465(7) 0.6496(8) 0.049(2) Uani 1 1 d . U . . .
H92 H 0.323187 0.326383 0.679917 0.059 Uiso 1 1 calc R U . . .
C93 C 0.3494(9) 0.4967(7) 0.6471(8) 0.048(2) Uani 1 1 d . U . . .
C94 C 0.6491(12) 0.2996(9) 0.9273(8) 0.061(3) Uani 1 1 d . U . . .
H94 H 0.621532 0.300819 0.956473 0.073 Uiso 1 1 calc R U . . .
C95 C 0.4505(9) 0.4662(7) 0.5683(7) 0.045(2) Uani 1 1 d . U . . .
C96 C 0.7674(9) 0.5122(7) 0.8052(7) 0.042(2) Uani 1 1 d . U . . .
C97 C 0.7966(10) 0.1627(7) 0.6923(7) 0.045(2) Uani 1 1 d . U . . .
C98 C 0.8550(10) 0.7316(7) 0.6714(8) 0.049(3) Uani 1 1 d . U . . .
H98 H 0.863658 0.755746 0.698090 0.059 Uiso 1 1 calc R U . . .
C99 C 0.6583(10) 0.1912(7) 0.6441(7) 0.045(2) Uani 1 1 d . U . . .
H99 H 0.683727 0.179058 0.616102 0.054 Uiso 1 1 calc R U . . .
C100 C 0.3772(9) 0.3598(7) 0.6234(7) 0.046(2) Uani 1 1 d . U . . .
C101 C 0.8008(11) 0.4134(8) 0.4630(8) 0.052(3) Uani 1 1 d . U . . .
H101 H 0.791071 0.400084 0.429936 0.063 Uiso 1 1 calc R U . . .
C102 C 0.8686(9) 0.6813(6) 0.6789(8) 0.045(2) Uani 1 1 d . U . . .
H102 H 0.889953 0.670518 0.709333 0.054 Uiso 1 1 calc R U . . .
C103 C 0.7595(10) 0.1263(7) 0.7215(7) 0.048(2) Uani 1 1 d . U . . .
C104 C 0.7702(9) 0.2288(6) 0.7565(6) 0.040(2) Uani 1 1 d . U . . .
C105 C 0.2915(11) 0.4400(9) 0.5214(8) 0.058(3) Uani 1 1 d . U . . .
H105 H 0.327524 0.448598 0.500288 0.069 Uiso 1 1 calc R U . . .
C106 C 0.8030(9) 0.6227(7) 0.5575(7) 0.045(2) Uani 1 1 d . U . . .
H106 H 0.784640 0.633732 0.525940 0.054 Uiso 1 1 calc R U . . .
C107 C 0.6484(10) 0.6550(7) 0.5114(7) 0.048(3) Uani 1 1 d . U . . .
H107 H 0.645981 0.691110 0.503824 0.058 Uiso 1 1 calc R U . . .
C108 C 0.7495(10) 0.7154(8) 0.7898(8) 0.051(3) Uani 1 1 d . U . . .
H108 H 0.737357 0.746065 0.772001 0.061 Uiso 1 1 calc R U . . .
C109 C 0.8248(11) 0.1459(7) 0.6467(7) 0.048(3) Uani 1 1 d . U . . .
H109 H 0.848912 0.170536 0.627363 0.058 Uiso 1 1 calc R U . . .
C110 C 0.4164(10) 0.2427(8) 0.7659(8) 0.051(3) Uani 1 1 d . U . . .
H110 H 0.396213 0.210819 0.774899 0.061 Uiso 1 1 calc R U . . .
C111 C 0.5289(12) 0.5264(9) 0.8485(9) 0.061(2) Uani 1 1 d . U . . .
C112 C 0.6258(12) 0.3142(9) 0.8813(8) 0.059(3) Uani 1 1 d . U . . .
H112 H 0.582039 0.325594 0.878362 0.071 Uiso 1 1 calc R U . . .
C113 C 0.9390(9) 0.2210(7) 0.7140(7) 0.042(2) Uani 1 1 d . U . . .
H113 H 0.915465 0.198056 0.735681 0.051 Uiso 1 1 calc R U . . .
C114 C 0.4453(10) 0.2768(7) 0.8052(8) 0.050(3) Uani 1 1 d . U . . .
H114 H 0.447195 0.265225 0.839684 0.060 Uiso 1 1 calc R U . . .
C115 C 1.0066(9) 0.2231(7) 0.7163(7) 0.044(2) Uani 1 1 d . U . . .
H115 H 1.028736 0.201085 0.739815 0.052 Uiso 1 1 calc R U . . .
C116 C 0.9806(9) 0.5553(7) 0.7832(7) 0.044(2) Uani 1 1 d . U . . .
H116 H 1.007061 0.548605 0.812329 0.053 Uiso 1 1 calc R U . . .
C117 C 0.3035(10) 0.4120(8) 0.5658(8) 0.053(2) Uani 1 1 d . U . . .
C118 C 0.7679(10) 0.7176(8) 0.8399(8) 0.054(3) Uani 1 1 d . U . . .
H118 H 0.763581 0.749739 0.857445 0.065 Uiso 1 1 calc R U . . .
C119 C 0.8204(11) 0.0964(7) 0.6277(8) 0.051(3) Uani 1 1 d . U . . .
H119 H 0.842387 0.086585 0.597201 0.061 Uiso 1 1 calc R U . . .
C120 C 0.6518(10) 0.5503(7) 0.5318(7) 0.046(2) Uani 1 1 d . U . . .
H120 H 0.651789 0.514089 0.538956 0.055 Uiso 1 1 calc R U . . .
C121 C 1.1001(9) 0.6032(7) 0.6910(8) 0.048(3) Uani 1 1 d . U . . .
H121 H 1.144544 0.613411 0.691050 0.058 Uiso 1 1 calc R U . . .
C122 C 0.4677(11) 0.6002(7) 0.6552(8) 0.052(3) Uani 1 1 d . U . . .
H122 H 0.479948 0.585540 0.687176 0.063 Uiso 1 1 calc R U . . .
C123 C 0.2177(10) 0.4984(8) 0.6774(8) 0.054(3) Uani 1 1 d . U . . .
H123 H 0.173263 0.497918 0.687549 0.065 Uiso 1 1 calc R U . . .
C124 C 0.8646(9) 0.2952(7) 0.8061(7) 0.042(2) Uani 1 1 d . U . . .
C125 C 0.5318(11) 0.5784(9) 0.8693(9) 0.061(3) Uani 1 1 d . U . . .
H125 H 0.517266 0.584038 0.903402 0.073 Uiso 1 1 calc R U . . .
C126 C 0.8023(10) 0.4669(7) 0.8102(7) 0.046(2) Uani 1 1 d . U . . .
H126 H 0.839319 0.461357 0.789068 0.055 Uiso 1 1 calc R U . . .
C127 C 0.2304(10) 0.4561(9) 0.5061(9) 0.060(3) Uani 1 1 d . U . . .
H127 H 0.224194 0.479488 0.478340 0.072 Uiso 1 1 calc R U . . .
C128 C 0.7969(9) 0.2154(7) 0.7099(6) 0.039(2) Uani 1 1 d . U . . .
C129 C 0.4183(10) 0.3461(8) 0.4899(7) 0.049(3) Uani 1 1 d . U . . .
H129 H 0.379363 0.334360 0.505703 0.059 Uiso 1 1 calc R U . . .
C130 C 0.6431(9) 0.2712(7) 0.4845(7) 0.043(2) Uani 1 1 d . U . . .
H130 H 0.609604 0.286244 0.464294 0.052 Uiso 1 1 calc R U . . .
C131 C 0.2360(10) 0.5250(8) 0.6352(8) 0.055(3) Uani 1 1 d . U . . .
H131 H 0.205183 0.545270 0.616940 0.066 Uiso 1 1 calc R U . . .
C132 C 1.0074(9) 0.2895(6) 0.6507(7) 0.041(2) Uani 1 1 d . U . . .
H132 H 1.031490 0.312131 0.629146 0.049 Uiso 1 1 calc R U . . .
C133 C 0.8236(10) 0.6606(7) 0.5969(8) 0.049(2) Uani 1 1 d . U . . .
C134 C 0.3656(10) 0.3976(8) 0.5809(8) 0.047(2) Uani 1 1 d . U . . .
C135 C 0.7495(11) 0.0736(7) 0.7034(7) 0.053(3) Uani 1 1 d . U . . .
H135 H 0.723715 0.049214 0.721792 0.064 Uiso 1 1 calc R U . . .
C136 C 1.0093(9) 0.5724(7) 0.7376(8) 0.045(2) Uani 1 1 d . U . . .
C137 C 0.4430(10) 0.3181(8) 0.4508(7) 0.050(3) Uani 1 1 d . U . . .
H137 H 0.427935 0.283952 0.443555 0.060 Uiso 1 1 calc R U . . .
C138 C 0.7921(10) 0.6766(8) 0.8658(9) 0.056(3) Uani 1 1 d . U . . .
H138 H 0.805701 0.680358 0.900430 0.067 Uiso 1 1 calc R U . . .
C139 C 0.7542(11) 0.4160(8) 0.4999(7) 0.051(3) Uani 1 1 d . U . . .
H139 H 0.711608 0.404165 0.492029 0.061 Uiso 1 1 calc R U . . .
C140 C 0.5800(10) 0.1747(8) 0.7086(8) 0.049(3) Uani 1 1 d . U . . .
H140 H 0.550353 0.151400 0.724447 0.059 Uiso 1 1 calc R U . . .
C141 C 0.4923(10) 0.3417(8) 0.4211(8) 0.051(3) Uani 1 1 d . U . . .
H141 H 0.505554 0.324772 0.390490 0.061 Uiso 1 1 calc R U . . .
C142 C 0.7971(9) 0.6262(7) 0.8401(7) 0.047(4) Uani 1 1 d . . . . .
H142 H 0.814583 0.596828 0.857395 0.056 Uiso 1 1 calc R U . . .
C143 C 0.4539(12) 0.6743(9) 0.6023(9) 0.063(3) Uani 1 1 d . U . . .
H143 H 0.454486 0.710791 0.596842 0.076 Uiso 1 1 calc R U . . .
C144 C 0.6953(10) 0.4816(7) 0.8724(7) 0.046(3) Uani 1 1 d . U . . .
H144 H 0.658760 0.487075 0.893964 0.055 Uiso 1 1 calc R U . . .
C145 C 0.7110(12) 0.2834(9) 0.9324(8) 0.061(3) Uani 1 1 d . U . . .
H145 H 0.726917 0.274321 0.965377 0.073 Uiso 1 1 calc R U . . .
C146 C 0.2641(9) 0.4718(8) 0.7061(8) 0.050(3) Uani 1 1 d . U . . .
H146 H 0.251644 0.455069 0.736969 0.060 Uiso 1 1 calc R U . . .
C148 C 0.7340(10) 0.1896(7) 0.7858(7) 0.043(2) Uani 1 1 d . U . . .
H148 H 0.713611 0.198606 0.817244 0.051 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Au2 3.2179(10) . ?
Au1 Au4 2.8879(9) . ?
Au1 Au5 2.7097(9) . ?
Au1 Au6 2.6527(10) . ?
Au1 Au8 2.9170(10) . ?
Au1 P4 2.324(4) . ?
Au2 Au3 2.6684(9) . ?
Au2 Au4 2.6600(9) . ?
Au2 Au6 2.8620(10) . ?
Au2 Au7 2.9910(10) . ?
Au2 S1 2.384(4) . ?
Au3 Au4 2.6899(10) . ?
Au3 Au7 3.0379(10) . ?
Au3 P3 2.303(4) . ?
Au4 Au5 2.8947(10) . ?
Au4 Au6 2.9253(9) . ?
Au4 P2 2.297(4) . ?
Au5 Au6 2.7179(10) . ?
Au5 P1 2.291(4) . ?
Au6 S2 2.376(4) . ?
Au7 S2 2.361(5) . ?
Au7 P5 2.273(5) . ?
Au8 S1 2.339(4) . ?
Au8 P6 2.266(4) . ?
S1 C28 1.827(18) . ?
S2 C89 1.776(19) . ?
P1 C32 1.84(2) . ?
P1 C104 1.819(17) . ?
P1 C124 1.832(19) . ?
P2 C26 1.805(17) . ?
P2 C48 1.796(18) . ?
P2 C87 1.825(18) . ?
P3 C4 1.788(18) . ?
P3 C30 1.79(2) . ?
P3 C100 1.76(2) . ?
P4 C40 1.807(18) . ?
P4 C56 1.833(17) . ?
P4 C78 1.794(18) . ?
P5 C49 1.80(2) . ?
P5 C93 1.80(2) . ?
P5 C95 1.828(19) . ?
P6 C14 1.819(18) . ?
P6 C34 1.833(18) . ?
P6 C96 1.836(19) . ?
O1 C3 1.21(3) . ?
O2 C83 1.27(2) . ?
O3 C83 1.23(2) . ?
O4 C3 1.27(3) . ?
C1 H1 0.9500 . ?
C1 C59 1.41(3) . ?
C1 C89 1.42(3) . ?
C2 C23 1.44(3) . ?
C2 C55 1.43(3) . ?
C2 C129 1.42(3) . ?
C3 C111 1.44(3) . ?
C4 C10 1.43(3) . ?
C4 C44 1.41(3) . ?
C5 H5 0.9500 . ?
C5 C24 1.35(2) . ?
C5 C70 1.44(2) . ?
C6 H6 0.9500 . ?
C6 C20 1.40(3) . ?
C6 C72 1.44(3) . ?
C7 H7 0.9500 . ?
C7 C27 1.36(3) . ?
C7 C120 1.42(3) . ?
C8 H8 0.9500 . ?
C8 C16 1.41(3) . ?
C8 C62 1.37(3) . ?
C9 H9 0.9500 . ?
C9 C35 1.38(3) . ?
C9 C133 1.41(3) . ?
C10 H10 0.9500 . ?
C10 C54 1.47(2) . ?
C11 H11 0.9500 . ?
C11 C122 1.38(3) . ?
C11 C143 1.35(3) . ?
C12 C14 1.38(3) . ?
C12 C20 1.47(3) . ?
C12 C68 1.50(2) . ?
C13 H13 0.9500 . ?
C13 C58 1.43(3) . ?
C13 C114 1.34(3) . ?
C14 C19 1.43(2) . ?
C15 H15 0.9500 . ?
C15 C121 1.36(3) . ?
C15 C136 1.42(3) . ?
C16 H16 0.9500 . ?
C16 C52 1.38(3) . ?
C17 H17 0.9500 . ?
C17 C32 1.40(3) . ?
C17 C145 1.41(3) . ?
C18 H18 0.9500 . ?
C18 C26 1.43(2) . ?
C18 C130 1.37(3) . ?
C19 H19 0.9500 . ?
C19 C116 1.36(2) . ?
C20 C136 1.44(3) . ?
C21 H21 0.9500 . ?
C21 C99 1.36(3) . ?
C21 C140 1.37(3) . ?
C22 H22 0.9500 . ?
C22 C86 1.40(3) . ?
C22 C92 1.30(3) . ?
C23 C33 1.46(3) . ?
C23 C51 1.43(3) . ?
C24 H24 0.9500 . ?
C24 C87 1.42(2) . ?
C25 H25 0.9500 . ?
C25 C40 1.39(2) . ?
C25 C52 1.35(3) . ?
C26 C66 1.38(2) . ?
C27 H27 0.9500 . ?
C27 C107 1.37(3) . ?
C28 C82 1.37(2) . ?
C28 C120 1.38(2) . ?
C29 H29 0.9500 . ?
C29 C119 1.42(3) . ?
C29 C135 1.46(3) . ?
C30 C58 1.39(3) . ?
C30 C90 1.43(3) . ?
C31 H31 0.9500 . ?
C31 C51 1.33(3) . ?
C31 C95 1.38(3) . ?
C32 C81 1.39(3) . ?
C33 H33 0.9500 . ?
C33 C141 1.37(3) . ?
C34 C36 1.40(3) . ?
C34 C142 1.36(3) . ?
C35 H35 0.9500 . ?
C35 C98 1.44(3) . ?
C36 H36 0.9500 . ?
C36 C108 1.50(2) . ?
C37 H37 0.9500 . ?
C37 C41 1.36(3) . ?
C37 C144 1.39(3) . ?
C38 C70 1.40(2) . ?
C38 C77 1.43(2) . ?
C38 C113 1.45(2) . ?
C39 H39 0.9500 . ?
C39 C50 1.38(3) . ?
C39 C140 1.39(3) . ?
C40 C62 1.39(3) . ?
C41 H41 0.9500 . ?
C41 C126 1.36(3) . ?
C42 H42 0.9500 . ?
C42 C93 1.36(3) . ?
C42 C146 1.45(3) . ?
C43 H43 0.9500 . ?
C43 C80 1.50(3) . ?
C43 C124 1.30(3) . ?
C44 H44 0.9500 . ?
C44 C75 1.38(2) . ?
C45 H45 0.9500 . ?
C45 C91 1.44(3) . ?
C45 C124 1.39(2) . ?
C46 H46 0.9500 . ?
C46 C60 1.42(3) . ?
C46 C66 1.36(2) . ?
C47 H47 0.9500 . ?
C47 C76 1.41(3) . ?
C47 C101 1.38(3) . ?
C48 C50 1.39(3) . ?
C48 C99 1.45(2) . ?
C49 C67 1.37(3) . ?
C49 C122 1.43(3) . ?
C50 H50 0.9500 . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
C53 C103 1.38(3) . ?
C53 C148 1.38(2) . ?
C54 H54 0.9500 . ?
C54 C79 1.37(3) . ?
C55 C95 1.45(3) . ?
C55 C134 1.45(3) . ?
C56 C68 1.39(2) . ?
C56 C74 1.40(2) . ?
C57 C68 1.53(2) . ?
C57 C102 1.38(3) . ?
C57 C133 1.38(3) . ?
C58 H58 0.9500 . ?
C59 H59 0.9500 . ?
C59 C69 1.45(3) . ?
C60 H60 0.9500 . ?
C60 C130 1.42(3) . ?
C61 H61 0.9500 . ?
C61 C115 1.36(3) . ?
C61 C132 1.46(2) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
C63 C80 1.38(3) . ?
C63 C91 1.43(3) . ?
C64 H64 0.9500 . ?
C64 C96 1.35(3) . ?
C64 C144 1.43(3) . ?
C65 H65 0.9500 . ?
C65 C93 1.41(3) . ?
C65 C131 1.42(3) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C67 C71 1.34(3) . ?
C69 H69 0.9500 . ?
C69 C125 1.37(3) . ?
C70 C132 1.41(2) . ?
C71 H71 0.9500 . ?
C71 C143 1.41(3) . ?
C72 H72 0.9500 . ?
C72 C121 1.38(3) . ?
C74 H74 0.9500 . ?
C74 C106 1.37(2) . ?
C75 H75 0.9500 . ?
C75 C79 1.38(3) . ?
C76 H76 0.9500 . ?
C76 C78 1.41(2) . ?
C77 C87 1.48(2) . ?
C77 C128 1.49(2) . ?
C78 C84 1.46(3) . ?
C79 H79 0.9500 . ?
C80 H80 0.9500 . ?
C81 H81 0.9500 . ?
C81 C112 1.45(3) . ?
C82 C83 1.52(3) . ?
C82 C107 1.42(3) . ?
C84 H84 0.9500 . ?
C84 C139 1.37(3) . ?
C85 H85 0.9500 . ?
C85 C88 1.31(3) . ?
C85 C127 1.44(3) . ?
C86 C88 1.41(3) . ?
C86 C117 1.45(3) . ?
C88 H88 0.9500 . ?
C89 C111 1.41(3) . ?
C90 H90 0.9500 . ?
C90 C110 1.41(3) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C92 C100 1.43(3) . ?
C94 H94 0.9500 . ?
C94 C112 1.35(3) . ?
C94 C145 1.35(3) . ?
C96 C126 1.37(3) . ?
C97 C103 1.43(3) . ?
C97 C109 1.39(3) . ?
C97 C128 1.43(2) . ?
C98 H98 0.9500 . ?
C98 C102 1.34(2) . ?
C99 H99 0.9500 . ?
C100 C134 1.49(3) . ?
C101 H101 0.9500 . ?
C101 C139 1.36(3) . ?
C102 H102 0.9500 . ?
C103 C135 1.45(3) . ?
C104 C128 1.38(2) . ?
C104 C148 1.47(2) . ?
C105 H105 0.9500 . ?
C105 C117 1.39(3) . ?
C105 C127 1.38(3) . ?
C106 H106 0.9500 . ?
C106 C133 1.48(3) . ?
C107 H107 0.9500 . ?
C108 H108 0.9500 . ?
C108 C118 1.36(3) . ?
C109 H109 0.9500 . ?
C109 C119 1.37(3) . ?
C110 H110 0.9500 . ?
C110 C114 1.47(3) . ?
C111 C125 1.44(3) . ?
C112 H112 0.9500 . ?
C113 H113 0.9500 . ?
C113 C115 1.39(3) . ?
C114 H114 0.9500 . ?
C115 H115 0.9500 . ?
C116 H116 0.9500 . ?
C116 C136 1.40(3) . ?
C117 C134 1.39(3) . ?
C118 H118 0.9500 . ?
C118 C138 1.35(3) . ?
C119 H119 0.9500 . ?
C120 H120 0.9500 . ?
C121 H121 0.9500 . ?
C122 H122 0.9500 . ?
C123 H123 0.9500 . ?
C123 C131 1.35(3) . ?
C123 C146 1.39(3) . ?
C125 H125 0.9500 . ?
C126 H126 0.9500 . ?
C127 H127 0.9500 . ?
C129 H129 0.9500 . ?
C129 C137 1.35(3) . ?
C130 H130 0.9500 . ?
C131 H131 0.9500 . ?
C132 H132 0.9500 . ?
C135 H135 0.9500 . ?
C137 H137 0.9500 . ?
C137 C141 1.41(3) . ?
C138 H138 0.9500 . ?
C138 C142 1.46(3) . ?
C139 H139 0.9500 . ?
C140 H140 0.9500 . ?
C141 H141 0.9500 . ?
C142 H142 0.9500 . ?
C143 H143 0.9500 . ?
C144 H144 0.9500 . ?
C145 H145 0.9500 . ?
C146 H146 0.9500 . ?
C148 H148 0.9500 . ?

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
Au4 Au1 Au2 51.30(2) . . ?
Au4 Au1 Au8 118.14(3) . . ?
Au5 Au1 Au2 102.54(3) . . ?
Au5 Au1 Au4 62.18(2) . . ?
Au5 Au1 Au8 133.05(3) . . ?
Au6 Au1 Au2 57.39(2) . . ?
Au6 Au1 Au4 63.57(2) . . ?
Au6 Au1 Au5 60.90(2) . . ?
Au6 Au1 Au8 77.27(3) . . ?
Au8 Au1 Au2 67.64(2) . . ?
P4 Au1 Au2 112.03(11) . . ?
P4 Au1 Au4 120.31(11) . . ?
P4 Au1 Au5 134.39(11) . . ?
P4 Au1 Au6 164.72(11) . . ?
P4 Au1 Au8 88.53(11) . . ?
Au3 Au2 Au1 116.49(3) . . ?
Au3 Au2 Au6 88.42(3) . . ?
Au3 Au2 Au7 64.64(2) . . ?
Au4 Au2 Au1 57.93(2) . . ?
Au4 Au2 Au3 60.64(3) . . ?
Au4 Au2 Au6 63.86(2) . . ?
Au4 Au2 Au7 108.82(3) . . ?
Au6 Au2 Au1 51.33(2) . . ?
Au6 Au2 Au7 73.02(3) . . ?
Au7 Au2 Au1 123.51(3) . . ?
S1 Au2 Au1 93.34(10) . . ?
S1 Au2 Au3 147.13(10) . . ?
S1 Au2 Au4 151.19(10) . . ?
S1 Au2 Au6 101.20(10) . . ?
S1 Au2 Au7 88.01(10) . . ?
Au2 Au3 Au4 59.53(2) . . ?
Au2 Au3 Au7 62.83(2) . . ?
Au4 Au3 Au7 106.68(3) . . ?
P3 Au3 Au2 159.80(12) . . ?
P3 Au3 Au4 137.67(13) . . ?
P3 Au3 Au7 98.00(12) . . ?
Au1 Au4 Au5 55.89(2) . . ?
Au1 Au4 Au6 54.29(2) . . ?
Au2 Au4 Au1 70.77(3) . . ?
Au2 Au4 Au3 59.84(2) . . ?
Au2 Au4 Au5 113.05(3) . . ?
Au2 Au4 Au6 61.43(2) . . ?
Au3 Au4 Au1 127.97(3) . . ?
Au3 Au4 Au5 131.28(3) . . ?
Au3 Au4 Au6 86.72(3) . . ?
Au5 Au4 Au6 55.67(2) . . ?
P2 Au4 Au1 116.73(11) . . ?
P2 Au4 Au2 163.25(11) . . ?
P2 Au4 Au3 115.26(11) . . ?
P2 Au4 Au5 82.49(11) . . ?
P2 Au4 Au6 135.31(11) . . ?
Au1 Au5 Au4 61.93(2) . . ?
Au1 Au5 Au6 58.51(2) . . ?
Au6 Au5 Au4 62.73(2) . . ?
P1 Au5 Au1 157.70(12) . . ?
P1 Au5 Au4 131.47(11) . . ?
P1 Au5 Au6 140.66(12) . . ?
Au1 Au6 Au2 71.28(3) . . ?
Au1 Au6 Au4 62.13(2) . . ?
Au1 Au6 Au5 60.59(3) . . ?
Au2 Au6 Au4 54.71(2) . . ?
Au5 Au6 Au2 112.32(3) . . ?
Au5 Au6 Au4 61.59(2) . . ?
S2 Au6 Au1 162.18(11) . . ?
S2 Au6 Au2 97.53(11) . . ?
S2 Au6 Au4 123.19(10) . . ?
S2 Au6 Au5 137.18(11) . . ?
Au2 Au7 Au3 52.53(2) . . ?
S2 Au7 Au2 94.45(10) . . ?
S2 Au7 Au3 100.98(10) . . ?
P5 Au7 Au2 95.31(12) . . ?
P5 Au7 Au3 89.45(12) . . ?
P5 Au7 S2 168.73(16) . . ?
S1 Au8 Au1 102.49(10) . . ?
P6 Au8 Au1 84.42(11) . . ?
P6 Au8 S1 166.70(15) . . ?
Au8 S1 Au2 92.93(14) . . ?
C28 S1 Au2 111.1(6) . . ?
C28 S1 Au8 113.0(6) . . ?
Au7 S2 Au6 94.68(15) . . ?
C89 S2 Au6 109.0(7) . . ?
C89 S2 Au7 98.8(7) . . ?
C32 P1 Au5 106.0(7) . . ?
C104 P1 Au5 119.4(6) . . ?
C104 P1 C32 105.5(9) . . ?
C104 P1 C124 104.7(8) . . ?
C124 P1 Au5 115.1(6) . . ?
C124 P1 C32 104.9(9) . . ?
C26 P2 Au4 114.1(6) . . ?
C26 P2 C87 102.7(8) . . ?
C48 P2 Au4 108.3(6) . . ?
C48 P2 C26 101.8(8) . . ?
C48 P2 C87 115.9(8) . . ?
C87 P2 Au4 113.5(5) . . ?
C4 P3 Au3 116.1(6) . . ?
C4 P3 C30 105.3(9) . . ?
C30 P3 Au3 109.2(6) . . ?
C100 P3 Au3 117.3(6) . . ?
C100 P3 C4 103.2(9) . . ?
C100 P3 C30 104.6(9) . . ?
C40 P4 Au1 114.9(6) . . ?
C40 P4 C56 108.4(8) . . ?
C56 P4 Au1 113.3(6) . . ?
C78 P4 Au1 108.8(6) . . ?
C78 P4 C40 107.4(8) . . ?
C78 P4 C56 103.2(8) . . ?
C49 P5 Au7 111.3(7) . . ?
C49 P5 C95 104.3(9) . . ?
C93 P5 Au7 111.1(7) . . ?
C93 P5 C49 103.3(9) . . ?
C93 P5 C95 113.1(9) . . ?
C95 P5 Au7 113.1(6) . . ?
C14 P6 Au8 119.4(6) . . ?
C14 P6 C34 102.7(8) . . ?
C14 P6 C96 107.0(9) . . ?
C34 P6 Au8 110.6(6) . . ?
C34 P6 C96 102.6(8) . . ?
C96 P6 Au8 112.7(6) . . ?
C59 C1 H1 120.0 . . ?
C59 C1 C89 119.9(19) . . ?
C89 C1 H1 120.0 . . ?
C23 C2 C55 121.9(18) . . ?
C129 C2 C23 118.2(17) . . ?
C129 C2 C55 119.8(18) . . ?
O1 C3 O4 124(2) . . ?
O1 C3 C111 123(2) . . ?
O4 C3 C111 113(2) . . ?
C10 C4 P3 117.2(13) . . ?
C44 C4 P3 126.5(15) . . ?
C44 C4 C10 116.2(16) . . ?
C24 C5 H5 119.5 . . ?
C24 C5 C70 121.1(16) . . ?
C70 C5 H5 119.5 . . ?
C20 C6 H6 120.0 . . ?
C20 C6 C72 120.0(19) . . ?
C72 C6 H6 120.0 . . ?
C27 C7 H7 121.0 . . ?
C27 C7 C120 118.0(18) . . ?
C120 C7 H7 121.0 . . ?
C16 C8 H8 120.3 . . ?
C62 C8 H8 120.3 . . ?
C62 C8 C16 119.3(17) . . ?
C35 C9 H9 120.1 . . ?
C35 C9 C133 120(2) . . ?
C133 C9 H9 120.1 . . ?
C4 C10 H10 119.7 . . ?
C4 C10 C54 120.6(16) . . ?
C54 C10 H10 119.7 . . ?
C122 C11 H11 120.0 . . ?
C143 C11 H11 120.0 . . ?
C143 C11 C122 120(2) . . ?
C14 C12 C20 121.1(17) . . ?
C14 C12 C68 124.0(16) . . ?
C20 C12 C68 114.8(16) . . ?
C58 C13 H13 120.9 . . ?
C114 C13 H13 120.9 . . ?
C114 C13 C58 118.3(19) . . ?
C12 C14 P6 122.2(13) . . ?
C12 C14 C19 118.6(16) . . ?
C19 C14 P6 118.5(13) . . ?
C121 C15 H15 121.7 . . ?
C121 C15 C136 117(2) . . ?
C136 C15 H15 121.7 . . ?
C8 C16 H16 120.6 . . ?
C52 C16 C8 118.7(17) . . ?
C52 C16 H16 120.6 . . ?
C32 C17 H17 120.1 . . ?
C32 C17 C145 120(2) . . ?
C145 C17 H17 120.1 . . ?
C26 C18 H18 119.7 . . ?
C130 C18 H18 119.7 . . ?
C130 C18 C26 120.6(17) . . ?
C14 C19 H19 118.9 . . ?
C116 C19 C14 122.2(18) . . ?
C116 C19 H19 118.9 . . ?
C6 C20 C12 122.2(17) . . ?
C6 C20 C136 120.4(17) . . ?
C136 C20 C12 117.3(17) . . ?
C99 C21 H21 119.7 . . ?
C99 C21 C140 120.7(19) . . ?
C140 C21 H21 119.7 . . ?
C86 C22 H22 119.6 . . ?
C92 C22 H22 119.6 . . ?
C92 C22 C86 121(2) . . ?
C2 C23 C33 118.4(18) . . ?
C51 C23 C2 118.1(17) . . ?
C51 C23 C33 123.4(19) . . ?
C5 C24 H24 119.7 . . ?
C5 C24 C87 120.7(16) . . ?
C87 C24 H24 119.7 . . ?
C40 C25 H25 119.4 . . ?
C52 C25 H25 119.4 . . ?
C52 C25 C40 121.2(18) . . ?
C18 C26 P2 117.5(13) . . ?
C66 C26 P2 124.5(13) . . ?
C66 C26 C18 117.8(16) . . ?
C7 C27 H27 119.1 . . ?
C7 C27 C107 121.7(18) . . ?
C107 C27 H27 119.1 . . ?
C82 C28 S1 121.2(14) . . ?
C82 C28 C120 123.0(17) . . ?
C120 C28 S1 115.6(13) . . ?
C119 C29 H29 118.8 . . ?
C119 C29 C135 122.5(18) . . ?
C135 C29 H29 118.8 . . ?
C58 C30 P3 119.7(14) . . ?
C58 C30 C90 117.0(18) . . ?
C90 C30 P3 122.9(15) . . ?
C51 C31 H31 116.0 . . ?
C51 C31 C95 128.1(19) . . ?
C95 C31 H31 116.0 . . ?
C17 C32 P1 123.8(17) . . ?
C81 C32 P1 116.8(14) . . ?
C81 C32 C17 119.4(19) . . ?
C23 C33 H33 121.1 . . ?
C141 C33 C23 117.8(19) . . ?
C141 C33 H33 121.1 . . ?
C36 C34 P6 116.3(13) . . ?
C142 C34 P6 119.9(15) . . ?
C142 C34 C36 123.8(17) . . ?
C9 C35 H35 121.2 . . ?
C9 C35 C98 117.7(18) . . ?
C98 C35 H35 121.2 . . ?
C34 C36 H36 122.2 . . ?
C34 C36 C108 115.6(17) . . ?
C108 C36 H36 122.2 . . ?
C41 C37 H37 120.0 . . ?
C41 C37 C144 120.1(18) . . ?
C144 C37 H37 120.0 . . ?
C70 C38 C77 121.4(16) . . ?
C70 C38 C113 120.7(16) . . ?
C77 C38 C113 117.7(16) . . ?
C50 C39 H39 120.2 . . ?
C50 C39 C140 120(2) . . ?
C140 C39 H39 120.2 . . ?
C25 C40 P4 122.7(14) . . ?
C62 C40 P4 119.2(13) . . ?
C62 C40 C25 118.1(17) . . ?
C37 C41 H41 119.3 . . ?
C37 C41 C126 121.3(19) . . ?
C126 C41 H41 119.3 . . ?
C93 C42 H42 120.5 . . ?
C93 C42 C146 119.1(19) . . ?
C146 C42 H42 120.5 . . ?
C80 C43 H43 119.0 . . ?
C124 C43 H43 119.0 . . ?
C124 C43 C80 122.0(17) . . ?
C4 C44 H44 118.3 . . ?
C75 C44 C4 123.5(19) . . ?
C75 C44 H44 118.3 . . ?
C91 C45 H45 121.7 . . ?
C124 C45 H45 121.7 . . ?
C124 C45 C91 116.6(18) . . ?
C60 C46 H46 120.2 . . ?
C66 C46 H46 120.2 . . ?
C66 C46 C60 119.6(17) . . ?
C76 C47 H47 118.5 . . ?
C101 C47 H47 118.5 . . ?
C101 C47 C76 122.9(19) . . ?
C50 C48 P2 120.2(14) . . ?
C50 C48 C99 116.9(17) . . ?
C99 C48 P2 122.7(14) . . ?
C67 C49 P5 121.4(16) . . ?
C67 C49 C122 120.0(19) . . ?
C122 C49 P5 117.9(15) . . ?
C39 C50 C48 121.4(18) . . ?
C39 C50 H50 119.3 . . ?
C48 C50 H50 119.3 . . ?
C23 C51 H51 121.3 . . ?
C31 C51 C23 117.4(19) . . ?
C31 C51 H51 121.3 . . ?
C16 C52 H52 119.4 . . ?
C25 C52 C16 121.1(18) . . ?
C25 C52 H52 119.4 . . ?
C103 C53 H53 119.7 . . ?
C148 C53 H53 119.7 . . ?
C148 C53 C103 120.5(17) . . ?
C10 C54 H54 121.6 . . ?
C79 C54 C10 116.8(18) . . ?
C79 C54 H54 121.6 . . ?
C2 C55 C95 117.0(18) . . ?
C2 C55 C134 122.8(17) . . ?
C95 C55 C134 119.5(17) . . ?
C68 C56 P4 121.2(13) . . ?
C68 C56 C74 120.8(15) . . ?
C74 C56 P4 117.9(13) . . ?
C102 C57 C68 121.5(17) . . ?
C102 C57 C133 120.5(17) . . ?
C133 C57 C68 117.9(16) . . ?
C13 C58 H58 118.5 . . ?
C30 C58 C13 123.0(17) . . ?
C30 C58 H58 118.5 . . ?
C1 C59 H59 119.4 . . ?
C1 C59 C69 121(2) . . ?
C69 C59 H59 119.4 . . ?
C46 C60 H60 120.7 . . ?
C46 C60 C130 118.5(17) . . ?
C130 C60 H60 120.7 . . ?
C115 C61 H61 120.9 . . ?
C115 C61 C132 118.2(17) . . ?
C132 C61 H61 120.9 . . ?
C8 C62 C40 121.4(17) . . ?
C8 C62 H62 119.3 . . ?
C40 C62 H62 119.3 . . ?
C80 C63 H63 120.2 . . ?
C80 C63 C91 119.6(19) . . ?
C91 C63 H63 120.2 . . ?
C96 C64 H64 119.2 . . ?
C96 C64 C144 121.7(18) . . ?
C144 C64 H64 119.2 . . ?
C93 C65 H65 119.4 . . ?
C93 C65 C131 121(2) . . ?
C131 C65 H65 119.4 . . ?
C26 C66 H66 118.5 . . ?
C46 C66 C26 123.0(17) . . ?
C46 C66 H66 118.5 . . ?
C49 C67 H67 121.6 . . ?
C71 C67 C49 117(2) . . ?
C71 C67 H67 121.6 . . ?
C12 C68 C57 114.4(15) . . ?
C56 C68 C12 126.8(15) . . ?
C56 C68 C57 118.2(16) . . ?
C59 C69 H69 121.2 . . ?
C125 C69 C59 118(2) . . ?
C125 C69 H69 121.2 . . ?
C38 C70 C5 120.0(16) . . ?
C38 C70 C132 117.9(16) . . ?
C132 C70 C5 121.9(16) . . ?
C67 C71 H71 117.4 . . ?
C67 C71 C143 125(2) . . ?
C143 C71 H71 117.4 . . ?
C6 C72 H72 122.0 . . ?
C121 C72 C6 115.9(19) . . ?
C121 C72 H72 122.0 . . ?
C56 C74 H74 118.0 . . ?
C106 C74 C56 124.0(17) . . ?
C106 C74 H74 118.0 . . ?
C44 C75 H75 120.6 . . ?
C79 C75 C44 118.8(19) . . ?
C79 C75 H75 120.6 . . ?
C47 C76 H76 120.7 . . ?
C78 C76 C47 118.6(18) . . ?
C78 C76 H76 120.7 . . ?
C38 C77 C87 116.5(15) . . ?
C38 C77 C128 123.4(15) . . ?
C87 C77 C128 120.0(15) . . ?
C76 C78 P4 123.7(14) . . ?
C76 C78 C84 117.2(16) . . ?
C84 C78 P4 118.9(13) . . ?
C54 C79 C75 123.5(18) . . ?
C54 C79 H79 118.3 . . ?
C75 C79 H79 118.3 . . ?
C43 C80 H80 121.9 . . ?
C63 C80 C43 116.2(18) . . ?
C63 C80 H80 121.9 . . ?
C32 C81 H81 120.8 . . ?
C32 C81 C112 118.3(19) . . ?
C112 C81 H81 120.8 . . ?
C28 C82 C83 126.1(17) . . ?
C28 C82 C107 116.1(17) . . ?
C107 C82 C83 117.8(16) . . ?
O2 C83 C82 115.3(18) . . ?
O3 C83 O2 126.7(19) . . ?
O3 C83 C82 118.0(16) . . ?
C78 C84 H84 120.0 . . ?
C139 C84 C78 120.0(18) . . ?
C139 C84 H84 120.0 . . ?
C88 C85 H85 119.6 . . ?
C88 C85 C127 121(2) . . ?
C127 C85 H85 119.6 . . ?
C22 C86 C88 126(2) . . ?
C22 C86 C117 119.1(19) . . ?
C88 C86 C117 115(2) . . ?
C24 C87 P2 112.2(12) . . ?
C24 C87 C77 120.2(16) . . ?
C77 C87 P2 127.6(13) . . ?
C85 C88 C86 125(2) . . ?
C85 C88 H88 117.4 . . ?
C86 C88 H88 117.4 . . ?
C1 C89 S2 119.1(14) . . ?
C111 C89 S2 121.2(16) . . ?
C111 C89 C1 119.6(18) . . ?
C30 C90 H90 119.3 . . ?
C110 C90 C30 121.4(19) . . ?
C110 C90 H90 119.3 . . ?
C45 C91 H91 119.5 . . ?
C63 C91 C45 120.9(18) . . ?
C63 C91 H91 119.5 . . ?
C22 C92 H92 116.6 . . ?
C22 C92 C100 127(2) . . ?
C100 C92 H92 116.6 . . ?
C42 C93 P5 120.1(16) . . ?
C42 C93 C65 118.9(19) . . ?
C65 C93 P5 121.0(17) . . ?
C112 C94 H94 119.6 . . ?
C145 C94 H94 119.6 . . ?
C145 C94 C112 121(2) . . ?
C31 C95 P5 117.4(14) . . ?
C31 C95 C55 117.0(17) . . ?
C55 C95 P5 124.0(15) . . ?
C64 C96 P6 118.5(14) . . ?
C64 C96 C126 118.7(18) . . ?
C126 C96 P6 122.7(15) . . ?
C103 C97 C128 116.8(17) . . ?
C109 C97 C103 118.3(17) . . ?
C109 C97 C128 124.5(17) . . ?
C35 C98 H98 119.2 . . ?
C102 C98 C35 121.6(18) . . ?
C102 C98 H98 119.2 . . ?
C21 C99 C48 120.7(19) . . ?
C21 C99 H99 119.7 . . ?
C48 C99 H99 119.7 . . ?
C92 C100 P3 123.5(15) . . ?
C92 C100 C134 112.2(18) . . ?
C134 C100 P3 124.1(14) . . ?
C47 C101 H101 120.9 . . ?
C139 C101 C47 118.3(19) . . ?
C139 C101 H101 120.9 . . ?
C57 C102 H102 120.0 . . ?
C98 C102 C57 120.0(19) . . ?
C98 C102 H102 120.0 . . ?
C53 C103 C97 122.3(17) . . ?
C53 C103 C135 116.7(18) . . ?
C97 C103 C135 121.0(18) . . ?
C128 C104 P1 121.2(13) . . ?
C128 C104 C148 119.4(16) . . ?
C148 C104 P1 119.4(13) . . ?
C117 C105 H105 118.0 . . ?
C127 C105 H105 118.0 . . ?
C127 C105 C117 124(2) . . ?
C74 C106 H106 121.4 . . ?
C74 C106 C133 117.2(17) . . ?
C133 C106 H106 121.4 . . ?
C27 C107 C82 121.4(18) . . ?
C27 C107 H107 119.3 . . ?
C82 C107 H107 119.3 . . ?
C36 C108 H108 120.5 . . ?
C118 C108 C36 119.0(19) . . ?
C118 C108 H108 120.5 . . ?
C97 C109 H109 117.6 . . ?
C119 C109 C97 124.8(19) . . ?
C119 C109 H109 117.6 . . ?
C90 C110 H110 121.2 . . ?
C90 C110 C114 117.6(17) . . ?
C114 C110 H110 121.2 . . ?
C3 C111 C125 114(2) . . ?
C89 C111 C3 127(2) . . ?
C89 C111 C125 119(2) . . ?
C81 C112 H112 119.6 . . ?
C94 C112 C81 121(2) . . ?
C94 C112 H112 119.6 . . ?
C38 C113 H113 120.4 . . ?
C115 C113 C38 119.2(17) . . ?
C115 C113 H113 120.4 . . ?
C13 C114 C110 121(2) . . ?
C13 C114 H114 119.3 . . ?
C110 C114 H114 119.3 . . ?
C61 C115 C113 122.2(17) . . ?
C61 C115 H115 118.9 . . ?
C113 C115 H115 118.9 . . ?
C19 C116 H116 119.7 . . ?
C19 C116 C136 120.6(17) . . ?
C136 C116 H116 119.7 . . ?
C105 C117 C86 119(2) . . ?
C105 C117 C134 123(2) . . ?
C134 C117 C86 119(2) . . ?
C108 C118 H118 118.3 . . ?
C138 C118 C108 123(2) . . ?
C138 C118 H118 118.3 . . ?
C29 C119 H119 121.3 . . ?
C109 C119 C29 117.5(19) . . ?
C109 C119 H119 121.3 . . ?
C7 C120 H120 120.3 . . ?
C28 C120 C7 119.4(17) . . ?
C28 C120 H120 120.3 . . ?
C15 C121 C72 127.3(18) . . ?
C15 C121 H121 116.4 . . ?
C72 C121 H121 116.4 . . ?
C11 C122 C49 120(2) . . ?
C11 C122 H122 119.9 . . ?
C49 C122 H122 119.9 . . ?
C131 C123 H123 120.2 . . ?
C131 C123 C146 120(2) . . ?
C146 C123 H123 120.2 . . ?
C43 C124 P1 119.4(14) . . ?
C43 C124 C45 123.5(18) . . ?
C45 C124 P1 117.1(14) . . ?
C69 C125 C111 123(2) . . ?
C69 C125 H125 118.7 . . ?
C111 C125 H125 118.7 . . ?
C41 C126 C96 121.1(19) . . ?
C41 C126 H126 119.4 . . ?
C96 C126 H126 119.4 . . ?
C85 C127 H127 122.2 . . ?
C105 C127 C85 116(2) . . ?
C105 C127 H127 122.2 . . ?
C97 C128 C77 114.6(16) . . ?
C104 C128 C77 123.7(15) . . ?
C104 C128 C97 121.2(16) . . ?
C2 C129 H129 118.3 . . ?
C137 C129 C2 123(2) . . ?
C137 C129 H129 118.3 . . ?
C18 C130 C60 120.0(17) . . ?
C18 C130 H130 120.0 . . ?
C60 C130 H130 120.0 . . ?
C65 C131 H131 120.1 . . ?
C123 C131 C65 120(2) . . ?
C123 C131 H131 120.1 . . ?
C61 C132 H132 119.2 . . ?
C70 C132 C61 121.7(17) . . ?
C70 C132 H132 119.2 . . ?
C9 C133 C106 117.7(18) . . ?
C57 C133 C9 120.2(18) . . ?
C57 C133 C106 122.0(16) . . ?
C55 C134 C100 116.5(17) . . ?
C117 C134 C55 121.3(19) . . ?
C117 C134 C100 122.1(19) . . ?
C29 C135 H135 122.1 . . ?
C103 C135 C29 115.8(19) . . ?
C103 C135 H135 122.1 . . ?
C15 C136 C20 119.5(19) . . ?
C116 C136 C15 120.3(18) . . ?
C116 C136 C20 120.1(16) . . ?
C129 C137 H137 121.5 . . ?
C129 C137 C141 117.0(19) . . ?
C141 C137 H137 121.5 . . ?
C118 C138 H138 120.4 . . ?
C118 C138 C142 119(2) . . ?
C142 C138 H138 120.4 . . ?
C84 C139 H139 118.7 . . ?
C101 C139 C84 123(2) . . ?
C101 C139 H139 118.7 . . ?
C21 C140 C39 121(2) . . ?
C21 C140 H140 119.6 . . ?
C39 C140 H140 119.6 . . ?
C33 C141 C137 124.1(18) . . ?
C33 C141 H141 118.0 . . ?
C137 C141 H141 118.0 . . ?
C34 C142 C138 118.3(19) . . ?
C34 C142 H142 120.8 . . ?
C138 C142 H142 120.8 . . ?
C11 C143 C71 117(2) . . ?
C11 C143 H143 121.4 . . ?
C71 C143 H143 121.4 . . ?
C37 C144 C64 117.0(18) . . ?
C37 C144 H144 121.5 . . ?
C64 C144 H144 121.5 . . ?
C17 C145 H145 119.5 . . ?
C94 C145 C17 121(2) . . ?
C94 C145 H145 119.5 . . ?
C42 C146 H146 119.6 . . ?
C123 C146 C42 121(2) . . ?
C123 C146 H146 119.6 . . ?
C53 C148 C104 119.3(17) . . ?
C53 C148 H148 120.4 . . ?
C104 C148 H148 120.4 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 P4 C40 C25 -173.1(13) . . . . ?
Au1 P4 C40 C62 8.7(16) . . . . ?
Au1 P4 C56 C68 75.0(15) . . . . ?
Au1 P4 C56 C74 -100.6(14) . . . . ?
Au1 P4 C78 C76 -158.0(14) . . . . ?
Au1 P4 C78 C84 16.8(16) . . . . ?
Au2 S1 C28 C82 174.9(15) . . . . ?
Au2 S1 C28 C120 0.1(17) . . . . ?
Au3 P3 C4 C10 29.7(17) . . . . ?
Au3 P3 C4 C44 -147.3(15) . . . . ?
Au3 P3 C30 C58 24.8(19) . . . . ?
Au3 P3 C30 C90 -147.0(16) . . . . ?
Au3 P3 C100 C92 -146.2(14) . . . . ?
Au3 P3 C100 C134 39.5(17) . . . . ?
Au4 P2 C26 C18 -27.2(16) . . . . ?
Au4 P2 C26 C66 159.1(14) . . . . ?
Au4 P2 C48 C50 -22.4(16) . . . . ?
Au4 P2 C48 C99 153.3(14) . . . . ?
Au4 P2 C87 C24 -61.1(13) . . . . ?
Au4 P2 C87 C77 120.5(13) . . . . ?
Au5 P1 C32 C17 -144.3(16) . . . . ?
Au5 P1 C32 C81 35.2(17) . . . . ?
Au5 P1 C104 C128 55.5(17) . . . . ?
Au5 P1 C104 C148 -125.8(13) . . . . ?
Au5 P1 C124 C43 5.6(18) . . . . ?
Au5 P1 C124 C45 -175.0(13) . . . . ?
Au6 S2 C89 C1 42.1(18) . . . . ?
Au6 S2 C89 C111 -133.7(17) . . . . ?
Au7 S2 C89 C1 -56.0(17) . . . . ?
Au7 S2 C89 C111 128.3(18) . . . . ?
Au7 P5 C49 C67 161.1(17) . . . . ?
Au7 P5 C49 C122 -28.3(19) . . . . ?
Au7 P5 C93 C42 -15.3(17) . . . . ?
Au7 P5 C93 C65 165.1(14) . . . . ?
Au7 P5 C95 C31 -79.6(16) . . . . ?
Au7 P5 C95 C55 85.2(17) . . . . ?
Au8 S1 C28 C82 -82.2(17) . . . . ?
Au8 S1 C28 C120 103.0(15) . . . . ?
Au8 P6 C14 C12 25.0(17) . . . . ?
Au8 P6 C14 C19 -165.2(11) . . . . ?
Au8 P6 C34 C36 -22.7(15) . . . . ?
Au8 P6 C34 C142 159.5(13) . . . . ?
Au8 P6 C96 C64 -74.1(15) . . . . ?
Au8 P6 C96 C126 102.0(15) . . . . ?
S1 C28 C82 C83 12(3) . . . . ?
S1 C28 C82 C107 -169.2(15) . . . . ?
S1 C28 C120 C7 173.5(16) . . . . ?
S2 C89 C111 C3 -1(4) . . . . ?
S2 C89 C111 C125 177.7(18) . . . . ?
P1 C32 C81 C112 -180.0(15) . . . . ?
P1 C104 C128 C77 0(3) . . . . ?
P1 C104 C128 C97 171.3(14) . . . . ?
P1 C104 C148 C53 -175.7(14) . . . . ?
P2 C26 C66 C46 169.9(15) . . . . ?
P2 C48 C50 C39 178.1(14) . . . . ?
P2 C48 C99 C21 -175.7(15) . . . . ?
P3 C4 C10 C54 -179.1(14) . . . . ?
P3 C4 C44 C75 177.9(16) . . . . ?
P3 C30 C58 C13 176.0(17) . . . . ?
P3 C30 C90 C110 179.1(17) . . . . ?
P3 C100 C134 C55 -9(2) . . . . ?
P3 C100 C134 C117 167.3(16) . . . . ?
P4 C40 C62 C8 178.6(14) . . . . ?
P4 C56 C68 C12 13(3) . . . . ?
P4 C56 C68 C57 -175.7(13) . . . . ?
P4 C56 C74 C106 176.9(16) . . . . ?
P4 C78 C84 C139 179.2(15) . . . . ?
P5 C49 C67 C71 176.4(18) . . . . ?
P5 C49 C122 C11 -172.2(18) . . . . ?
P6 C14 C19 C116 -167.4(14) . . . . ?
P6 C34 C36 C108 -171.9(13) . . . . ?
P6 C34 C142 C138 176.5(14) . . . . ?
P6 C96 C126 C41 -175.4(14) . . . . ?
O1 C3 C111 C89 -29(5) . . . . ?
O1 C3 C111 C125 153(3) . . . . ?
O4 C3 C111 C89 150(3) . . . . ?
O4 C3 C111 C125 -29(4) . . . . ?
C1 C59 C69 C125 1(3) . . . . ?
C1 C89 C111 C3 -176(2) . . . . ?
C1 C89 C111 C125 2(3) . . . . ?
C2 C23 C33 C141 -1(3) . . . . ?
C2 C23 C51 C31 2(3) . . . . ?
C2 C55 C95 P5 -171.5(15) . . . . ?
C2 C55 C95 C31 -7(3) . . . . ?
C2 C55 C134 C100 92(2) . . . . ?
C2 C55 C134 C117 -84(3) . . . . ?
C2 C129 C137 C141 -13(3) . . . . ?
C3 C111 C125 C69 -180(2) . . . . ?
C4 P3 C30 C58 150.2(17) . . . . ?
C4 P3 C30 C90 -22(2) . . . . ?
C4 P3 C100 C92 84.8(17) . . . . ?
C4 P3 C100 C134 -89.6(16) . . . . ?
C4 C10 C54 C79 6(3) . . . . ?
C4 C44 C75 C79 -4(3) . . . . ?
C5 C24 C87 P2 -178.6(13) . . . . ?
C5 C24 C87 C77 0(2) . . . . ?
C5 C70 C132 C61 -177.4(16) . . . . ?
C6 C20 C136 C15 1(3) . . . . ?
C6 C20 C136 C116 178.5(16) . . . . ?
C6 C72 C121 C15 6(3) . . . . ?
C7 C27 C107 C82 -1(3) . . . . ?
C8 C16 C52 C25 3(3) . . . . ?
C9 C35 C98 C102 5(3) . . . . ?
C10 C4 C44 C75 1(3) . . . . ?
C10 C54 C79 C75 -10(3) . . . . ?
C12 C14 C19 C116 3(3) . . . . ?
C12 C20 C136 C15 -176.7(15) . . . . ?
C12 C20 C136 C116 1(2) . . . . ?
C14 P6 C34 C36 105.9(14) . . . . ?
C14 P6 C34 C142 -72.0(16) . . . . ?
C14 P6 C96 C64 152.7(14) . . . . ?
C14 P6 C96 C126 -31.3(17) . . . . ?
C14 C12 C20 C6 -176.5(16) . . . . ?
C14 C12 C20 C136 1(2) . . . . ?
C14 C12 C68 C56 -88(2) . . . . ?
C14 C12 C68 C57 100(2) . . . . ?
C14 C19 C116 C136 -1(3) . . . . ?
C16 C8 C62 C40 1(3) . . . . ?
C17 C32 C81 C112 0(3) . . . . ?
C18 C26 C66 C46 -4(3) . . . . ?
C19 C116 C136 C15 176.5(17) . . . . ?
C19 C116 C136 C20 -1(3) . . . . ?
C20 C6 C72 C121 -1(2) . . . . ?
C20 C12 C14 P6 166.9(13) . . . . ?
C20 C12 C14 C19 -3(2) . . . . ?
C20 C12 C68 C56 96(2) . . . . ?
C20 C12 C68 C57 -75.3(19) . . . . ?
C22 C86 C88 C85 -177(2) . . . . ?
C22 C86 C117 C105 173.1(19) . . . . ?
C22 C86 C117 C134 0(3) . . . . ?
C22 C92 C100 P3 -166.7(17) . . . . ?
C22 C92 C100 C134 8(3) . . . . ?
C23 C2 C55 C95 3(3) . . . . ?
C23 C2 C55 C134 173.1(19) . . . . ?
C23 C2 C129 C137 10(3) . . . . ?
C23 C33 C141 C137 -3(3) . . . . ?
C24 C5 C70 C38 4(2) . . . . ?
C24 C5 C70 C132 178.9(16) . . . . ?
C25 C40 C62 C8 0(3) . . . . ?
C26 P2 C48 C50 -143.0(15) . . . . ?
C26 P2 C48 C99 32.7(17) . . . . ?
C26 P2 C87 C24 62.6(13) . . . . ?
C26 P2 C87 C77 -115.8(15) . . . . ?
C26 C18 C130 C60 2(3) . . . . ?
C27 C7 C120 C28 -4(3) . . . . ?
C28 C82 C83 O2 -159(2) . . . . ?
C28 C82 C83 O3 23(3) . . . . ?
C28 C82 C107 C27 -4(3) . . . . ?
C30 P3 C4 C10 -91.1(16) . . . . ?
C30 P3 C4 C44 91.8(19) . . . . ?
C30 P3 C100 C92 -25.1(18) . . . . ?
C30 P3 C100 C134 160.5(15) . . . . ?
C30 C90 C110 C114 -4(3) . . . . ?
C32 P1 C104 C128 174.4(15) . . . . ?
C32 P1 C104 C148 -6.9(17) . . . . ?
C32 P1 C124 C43 -110.5(17) . . . . ?
C32 P1 C124 C45 69.0(17) . . . . ?
C32 C17 C145 C94 3(3) . . . . ?
C32 C81 C112 C94 1(3) . . . . ?
C33 C23 C51 C31 -178.8(19) . . . . ?
C34 P6 C14 C12 -97.9(15) . . . . ?
C34 P6 C14 C19 72.0(15) . . . . ?
C34 P6 C96 C64 45.0(16) . . . . ?
C34 P6 C96 C126 -139.0(15) . . . . ?
C34 C36 C108 C118 -9(3) . . . . ?
C35 C9 C133 C57 2(3) . . . . ?
C35 C9 C133 C106 179(2) . . . . ?
C35 C98 C102 C57 -5(3) . . . . ?
C36 C34 C142 C138 -1(3) . . . . ?
C36 C108 C118 C138 7(3) . . . . ?
C37 C41 C126 C96 1(3) . . . . ?
C38 C70 C132 C61 -3(3) . . . . ?
C38 C77 C87 P2 177.2(13) . . . . ?
C38 C77 C87 C24 -1(2) . . . . ?
C38 C77 C128 C97 -76(2) . . . . ?
C38 C77 C128 C104 96(2) . . . . ?
C38 C113 C115 C61 0(3) . . . . ?
C40 P4 C56 C68 -53.8(16) . . . . ?
C40 P4 C56 C74 130.6(14) . . . . ?
C40 P4 C78 C76 -33.0(18) . . . . ?
C40 P4 C78 C84 141.8(14) . . . . ?
C40 C25 C52 C16 -2(3) . . . . ?
C41 C37 C144 C64 2(3) . . . . ?
C44 C4 C10 C54 -2(3) . . . . ?
C44 C75 C79 C54 9(3) . . . . ?
C46 C60 C130 C18 -7(3) . . . . ?
C47 C76 C78 P4 177.8(15) . . . . ?
C47 C76 C78 C84 3(3) . . . . ?
C47 C101 C139 C84 0(3) . . . . ?
C48 P2 C26 C18 89.2(15) . . . . ?
C48 P2 C26 C66 -84.5(17) . . . . ?
C48 P2 C87 C24 172.7(11) . . . . ?
C48 P2 C87 C77 -5.7(18) . . . . ?
C49 P5 C93 C42 -134.6(16) . . . . ?
C49 P5 C93 C65 45.7(17) . . . . ?
C49 P5 C95 C31 41.5(18) . . . . ?
C49 P5 C95 C55 -153.8(17) . . . . ?
C49 C67 C71 C143 -9(4) . . . . ?
C50 C39 C140 C21 3(3) . . . . ?
C50 C48 C99 C21 0(3) . . . . ?
C51 C23 C33 C141 180.0(19) . . . . ?
C51 C31 C95 P5 175.1(17) . . . . ?
C51 C31 C95 C55 9(3) . . . . ?
C52 C25 C40 P4 -177.8(14) . . . . ?
C52 C25 C40 C62 0(3) . . . . ?
C53 C103 C135 C29 -179.5(18) . . . . ?
C55 C2 C23 C33 -179.8(19) . . . . ?
C55 C2 C23 C51 0(3) . . . . ?
C55 C2 C129 C137 -173(2) . . . . ?
C56 P4 C40 C25 -45.2(17) . . . . ?
C56 P4 C40 C62 136.6(14) . . . . ?
C56 P4 C78 C76 81.4(17) . . . . ?
C56 P4 C78 C84 -103.8(15) . . . . ?
C56 C74 C106 C133 -2(3) . . . . ?
C58 C13 C114 C110 -10(3) . . . . ?
C58 C30 C90 C110 7(3) . . . . ?
C59 C1 C89 S2 -179.9(17) . . . . ?
C59 C1 C89 C111 -4(3) . . . . ?
C59 C69 C125 C111 -4(4) . . . . ?
C60 C46 C66 C26 -1(3) . . . . ?
C62 C8 C16 C52 -2(3) . . . . ?
C64 C96 C126 C41 1(3) . . . . ?
C66 C46 C60 C130 6(3) . . . . ?
C67 C49 C122 C11 -2(3) . . . . ?
C67 C71 C143 C11 7(4) . . . . ?
C68 C12 C14 P6 -9(2) . . . . ?
C68 C12 C14 C19 -178.4(15) . . . . ?
C68 C12 C20 C6 -1(2) . . . . ?
C68 C12 C20 C136 177.1(15) . . . . ?
C68 C56 C74 C106 1(3) . . . . ?
C68 C57 C102 C98 -174.2(19) . . . . ?
C68 C57 C133 C9 175.9(19) . . . . ?
C68 C57 C133 C106 -1(3) . . . . ?
C70 C5 C24 C87 -2(2) . . . . ?
C70 C38 C77 C87 4(2) . . . . ?
C70 C38 C77 C128 -179.0(16) . . . . ?
C70 C38 C113 C115 -3(3) . . . . ?
C72 C6 C20 C12 175.4(15) . . . . ?
C72 C6 C20 C136 -2(3) . . . . ?
C74 C56 C68 C12 -171.2(17) . . . . ?
C74 C56 C68 C57 0(3) . . . . ?
C74 C106 C133 C9 -175.1(19) . . . . ?
C74 C106 C133 C57 1(3) . . . . ?
C76 C47 C101 C139 -3(3) . . . . ?
C76 C78 C84 C139 -6(3) . . . . ?
C77 C38 C70 C5 -6(3) . . . . ?
C77 C38 C70 C132 179.6(16) . . . . ?
C77 C38 C113 C115 -178.6(16) . . . . ?
C78 P4 C40 C25 65.7(17) . . . . ?
C78 P4 C40 C62 -112.5(15) . . . . ?
C78 P4 C56 C68 -167.5(15) . . . . ?
C78 P4 C56 C74 16.9(16) . . . . ?
C78 C84 C139 C101 4(3) . . . . ?
C80 C43 C124 P1 180.0(14) . . . . ?
C80 C43 C124 C45 1(3) . . . . ?
C80 C63 C91 C45 -13(3) . . . . ?
C82 C28 C120 C7 -1(3) . . . . ?
C83 C82 C107 C27 174(2) . . . . ?
C86 C22 C92 C100 -5(3) . . . . ?
C86 C117 C134 C55 -179.2(18) . . . . ?
C86 C117 C134 C100 4(3) . . . . ?
C87 P2 C26 C18 -150.5(14) . . . . ?
C87 P2 C26 C66 35.8(18) . . . . ?
C87 P2 C48 C50 106.4(16) . . . . ?
C87 P2 C48 C99 -77.9(17) . . . . ?
C87 C77 C128 C97 100.9(19) . . . . ?
C87 C77 C128 C104 -87(2) . . . . ?
C88 C85 C127 C105 5(3) . . . . ?
C88 C86 C117 C105 -2(3) . . . . ?
C88 C86 C117 C134 -175.8(19) . . . . ?
C89 C1 C59 C69 2(3) . . . . ?
C89 C111 C125 C69 2(4) . . . . ?
C90 C30 C58 C13 -12(3) . . . . ?
C90 C110 C114 C13 6(3) . . . . ?
C91 C45 C124 P1 178.7(14) . . . . ?
C91 C45 C124 C43 -2(3) . . . . ?
C91 C63 C80 C43 11(3) . . . . ?
C92 C22 C86 C88 175(2) . . . . ?
C92 C22 C86 C117 1(3) . . . . ?
C92 C100 C134 C55 175.7(16) . . . . ?
C92 C100 C134 C117 -8(3) . . . . ?
C93 P5 C49 C67 -80(2) . . . . ?
C93 P5 C49 C122 90.9(18) . . . . ?
C93 P5 C95 C31 153.0(16) . . . . ?
C93 P5 C95 C55 -42(2) . . . . ?
C93 C42 C146 C123 5(3) . . . . ?
C93 C65 C131 C123 -6(3) . . . . ?
C95 P5 C49 C67 39(2) . . . . ?
C95 P5 C49 C122 -150.6(16) . . . . ?
C95 P5 C93 C42 113.2(16) . . . . ?
C95 P5 C93 C65 -66.4(18) . . . . ?
C95 C31 C51 C23 -7(3) . . . . ?
C95 C55 C134 C100 -98(2) . . . . ?
C95 C55 C134 C117 86(2) . . . . ?
C96 P6 C14 C12 154.5(14) . . . . ?
C96 P6 C14 C19 -35.7(16) . . . . ?
C96 P6 C34 C36 -143.1(14) . . . . ?
C96 P6 C34 C142 39.0(17) . . . . ?
C96 C64 C144 C37 0(3) . . . . ?
C97 C103 C135 C29 2(3) . . . . ?
C97 C109 C119 C29 3(3) . . . . ?
C99 C21 C140 C39 -1(3) . . . . ?
C99 C48 C50 C39 2(3) . . . . ?
C100 P3 C4 C10 159.5(15) . . . . ?
C100 P3 C4 C44 -18(2) . . . . ?
C100 P3 C30 C58 -101.5(18) . . . . ?
C100 P3 C30 C90 86.7(19) . . . . ?
C101 C47 C76 C78 1(3) . . . . ?
C102 C57 C68 C12 -10(3) . . . . ?
C102 C57 C68 C56 177.5(18) . . . . ?
C102 C57 C133 C9 -2(3) . . . . ?
C102 C57 C133 C106 -178.1(19) . . . . ?
C103 C53 C148 C104 0(3) . . . . ?
C103 C97 C109 C119 -1(3) . . . . ?
C103 C97 C128 C77 -179.1(16) . . . . ?
C103 C97 C128 C104 9(3) . . . . ?
C104 P1 C32 C17 88.2(18) . . . . ?
C104 P1 C32 C81 -92.3(17) . . . . ?
C104 P1 C124 C43 138.7(16) . . . . ?
C104 P1 C124 C45 -41.8(17) . . . . ?
C105 C117 C134 C55 8(3) . . . . ?
C105 C117 C134 C100 -168.9(19) . . . . ?
C107 C82 C83 O2 23(3) . . . . ?
C107 C82 C83 O3 -156(2) . . . . ?
C108 C118 C138 C142 -2(3) . . . . ?
C109 C97 C103 C53 179.8(19) . . . . ?
C109 C97 C103 C135 -2(3) . . . . ?
C109 C97 C128 C77 -5(3) . . . . ?
C109 C97 C128 C104 -177.3(18) . . . . ?
C112 C94 C145 C17 -2(4) . . . . ?
C113 C38 C70 C5 178.7(15) . . . . ?
C113 C38 C70 C132 4(2) . . . . ?
C113 C38 C77 C87 179.8(15) . . . . ?
C113 C38 C77 C128 -3(3) . . . . ?
C114 C13 C58 C30 13(3) . . . . ?
C115 C61 C132 C70 0(3) . . . . ?
C117 C86 C88 C85 -2(3) . . . . ?
C117 C105 C127 C85 -10(3) . . . . ?
C118 C138 C142 C34 -1(3) . . . . ?
C119 C29 C135 C103 0(3) . . . . ?
C120 C7 C27 C107 5(3) . . . . ?
C120 C28 C82 C83 -173(2) . . . . ?
C120 C28 C82 C107 5(3) . . . . ?
C121 C15 C136 C20 3(3) . . . . ?
C121 C15 C136 C116 -174.4(17) . . . . ?
C122 C11 C143 C71 -2(4) . . . . ?
C122 C49 C67 C71 6(3) . . . . ?
C124 P1 C32 C17 -22(2) . . . . ?
C124 P1 C32 C81 157.4(15) . . . . ?
C124 P1 C104 C128 -75.2(16) . . . . ?
C124 P1 C104 C148 103.6(15) . . . . ?
C124 C43 C80 C63 -5(3) . . . . ?
C124 C45 C91 C63 8(3) . . . . ?
C127 C85 C88 C86 1(3) . . . . ?
C127 C105 C117 C86 9(3) . . . . ?
C127 C105 C117 C134 -178(2) . . . . ?
C128 C77 C87 P2 0(2) . . . . ?
C128 C77 C87 C24 -178.2(15) . . . . ?
C128 C97 C103 C53 -6(3) . . . . ?
C128 C97 C103 C135 172.3(18) . . . . ?
C128 C97 C109 C119 -175(2) . . . . ?
C128 C104 C148 C53 3(3) . . . . ?
C129 C2 C23 C33 -3(3) . . . . ?
C129 C2 C23 C51 176.5(18) . . . . ?
C129 C2 C55 C95 -173.9(18) . . . . ?
C129 C2 C55 C134 -4(3) . . . . ?
C129 C137 C141 C33 9(3) . . . . ?
C130 C18 C26 P2 -171.1(14) . . . . ?
C130 C18 C26 C66 3(3) . . . . ?
C131 C65 C93 P5 -173.5(15) . . . . ?
C131 C65 C93 C42 7(3) . . . . ?
C131 C123 C146 C42 -4(3) . . . . ?
C132 C61 C115 C113 1(3) . . . . ?
C133 C9 C35 C98 -4(3) . . . . ?
C133 C57 C68 C12 172.0(17) . . . . ?
C133 C57 C68 C56 0(3) . . . . ?
C133 C57 C102 C98 3(3) . . . . ?
C134 C55 C95 P5 18(3) . . . . ?
C134 C55 C95 C31 -177.3(18) . . . . ?
C135 C29 C119 C109 -3(3) . . . . ?
C136 C15 C121 C72 -7(3) . . . . ?
C140 C21 C99 C48 -1(3) . . . . ?
C140 C39 C50 C48 -4(3) . . . . ?
C142 C34 C36 C108 6(3) . . . . ?
C143 C11 C122 C49 -1(4) . . . . ?
C144 C37 C41 C126 -3(3) . . . . ?
C144 C64 C96 P6 175.2(14) . . . . ?
C144 C64 C96 C126 -1(3) . . . . ?
C145 C17 C32 P1 178.2(16) . . . . ?
C145 C17 C32 C81 -1(3) . . . . ?
C145 C94 C112 C81 0(3) . . . . ?
C146 C42 C93 P5 174.3(13) . . . . ?
C146 C42 C93 C65 -6(3) . . . . ?
C146 C123 C131 C65 5(3) . . . . ?
C148 C53 C103 C97 2(3) . . . . ?
C148 C53 C103 C135 -176.5(18) . . . . ?
C148 C104 C128 C77 -178.9(16) . . . . ?
C148 C104 C128 C97 -7(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 0.438 -0.250 0.500 1536.5 370.2 ?
2 -0.476 0.250 0.000 1536.5 418.5 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_SD_S_Au8c
_database_code_depnum_ccdc_archive 'CCDC 2142061'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2022-01-14 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_audit_creation_date             2021-10-20
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C146 H106 Au8 O4 P6 S2, 2(C H O3)'
_chemical_formula_sum            'C148 H108 Au8 O10 P6 S2'
_chemical_formula_weight         3872.01
_chemical_absolute_configuration syn
_chemical_melting_point          ?
_chemical_oxdiff_formula         AuC
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'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   18.4744(2)
_cell_length_b                   27.7085(3)
_cell_length_c                   31.2344(3)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     15988.8(3)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    16781
_cell_measurement_temperature    99.99(10)
_cell_measurement_theta_max      76.3680
_cell_measurement_theta_min      2.8220
_shelx_estimated_absorpt_T_max   0.668
_shelx_estimated_absorpt_T_min   0.387
_exptl_absorpt_coefficient_mu    14.631
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.17083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.40.25a (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.609
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             7320
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.03
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0641
_diffrn_reflns_av_unetI/netI     0.0742
_diffrn_reflns_Laue_measured_fraction_full 0.984
_diffrn_reflns_Laue_measured_fraction_max 0.984
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       37
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            48414
_diffrn_reflns_point_group_measured_fraction_full 0.920
_diffrn_reflns_point_group_measured_fraction_max 0.920
_diffrn_reflns_theta_full        67.079
_diffrn_reflns_theta_max         67.079
_diffrn_reflns_theta_min         2.829
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      99.99(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -117.00 -70.00   1.00    1.12    --  -48.45-125.00 -60.00   47
  2  ω    -59.00  21.00   1.00    1.12    --  -48.45  38.00-150.00   80
  3  ω    -95.00 -38.00   1.00    8.00    --  -86.25 131.00-123.00   57
  4  ω     42.00 129.00   1.00    8.00    --  106.49-142.00  82.00   87
  5  ω     65.00 172.00   1.00    8.00    --  106.49   5.00 169.00  107
  6  ω     79.00 120.00   1.00    8.00    --  106.49 -57.00-120.00   41
  7  ω     34.00  60.00   1.00    8.00    --  106.49 -57.00-120.00   26
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_measurement_specimen_support 'Mitegen 50um'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0008924000
_diffrn_orient_matrix_UB_12      -0.0519935000
_diffrn_orient_matrix_UB_13      0.0174522000
_diffrn_orient_matrix_UB_21      -0.0051183000
_diffrn_orient_matrix_UB_22      -0.0196197000
_diffrn_orient_matrix_UB_23      -0.0460474000
_diffrn_orient_matrix_UB_31      0.0832379000
_diffrn_orient_matrix_UB_32      -0.0017417000
_diffrn_orient_matrix_UB_33      -0.0026307000
_diffrn_radiation_collimation    0.3
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_current           24.0
_diffrn_source_power             1.2
_diffrn_source_target            Mo
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.740
_reflns_Friedel_fraction_full    0.846
_reflns_Friedel_fraction_max     0.846
_reflns_number_gt                20735
_reflns_number_total             26263
_reflns_odcompleteness_completeness 98.33
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.40.25a (Rigaku OD, 2018)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         2.374
_refine_diff_density_min         -1.674
_refine_diff_density_rms         0.223
_refine_ls_abs_structure_details 
;
 Flack x determined using 7353 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.041(8)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1483
_refine_ls_number_reflns         26263
_refine_ls_number_restraints     1057
_refine_ls_R_factor_all          0.0882
_refine_ls_R_factor_gt           0.0672
_refine_ls_restrained_S_all      1.037
_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)+(0.0816P)²+214.2552P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1685
_refine_ls_wR_factor_ref         0.1881
_refine_special_details          ?
_olex2_refinement_description    
;
1. Restrained distances
 C122-C59
 1.39 with sigma of 0.01
 C59-C33
 1.39 with sigma of 0.01
 C33-C127
 1.39 with sigma of 0.01
 C127-C128
 1.39 with sigma of 0.01
 C128-C123
 1.39 with sigma of 0.01
 C123-C122
 1.39 with sigma of 0.01
 C122-C121
 1.39 with sigma of 0.01
 C121-C126
 1.39 with sigma of 0.01
 C126-C125
 1.39 with sigma of 0.01
 C125-C124
 1.39 with sigma of 0.01
 C124-C123
 1.39 with sigma of 0.01
 C107-C39
 1.39 with sigma of 0.01
 C95-C84
 1.39 with sigma of 0.01
 C84-C47
 1.39 with sigma of 0.01
 C107-C46
 1.39 with sigma of 0.01
 C140-C50
 1.39 with sigma of 0.02
 C46-C140
 1.39 with sigma of 0.02
 C47-C48
 1.39 with sigma of 0.02
 C48-C49
 1.39 with sigma of 0.02
 C46-C47
 1.39 with sigma of 0.02
 C101-C100
 1.39 with sigma of 0.02
 C85-C101
 1.39 with sigma of 0.02
 C53-C85
 1.39 with sigma of 0.02
 C30-C102
 1.39 with sigma of 0.02
 C99-C55
 1.39 with sigma of 0.02
 C99-C106
 1.39 with sigma of 0.02
 C106-C111
 1.39 with sigma of 0.02
 C111-C53
 1.39 with sigma of 0.02
 C108-C109
 1.39 with sigma of 0.02
 C131-C145
 1.39 with sigma of 0.02
 C143-C144
 1.39 with sigma of 0.02
 C129-C143
 1.39 with sigma of 0.02
 C94-C52
 1.39 with sigma of 0.02
 C94-C60
 1.39 with sigma of 0.02
 C60-C141
 1.39 with sigma of 0.02
 C137-C132
 1.39 with sigma of 0.02
 C141-C142
 1.39 with sigma of 0.02
 C52-C113
 1.39 with sigma of 0.02
 C113-C142
 1.39 with sigma of 0.02
 C60-C94
 1.39 with sigma of 0.02
 C145-C144
 1.39 with sigma of 0.01
 C130-C131
 1.39 with sigma of 0.01
 C130-C129
 1.39 with sigma of 0.01
 C41-C27
 1.39 with sigma of 0.01
 C27-C18
 1.39 with sigma of 0.01
 C18-C17
 1.39 with sigma of 0.01
 C38-C103
 1.39 with sigma of 0.01
 C81-C103
 1.39 with sigma of 0.01
 C81-C44
 1.39 with sigma of 0.01
 C132-C133
 1.39 with sigma of 0.02
 C137-C136
 1.39 with sigma of 0.02
 C133-C134
 1.39 with sigma of 0.02
 C136-C135
 1.39 with sigma of 0.02
 C112-C29
 1.39 with sigma of 0.02
 C59-C51
 1.39 with sigma of 0.02
 C65-C66
 1.39 with sigma of 0.02
 C66-C67
 1.39 with sigma of 0.02
 C68-C67
 1.39 with sigma of 0.02
 C69-C68
 1.39 with sigma of 0.02
 C69-C64
 1.39 with sigma of 0.02
 O6-C146
 1.3 with sigma of 0.01
 O7-C146
 1.35 with sigma of 0.01
 O5-C146
 1.3 with sigma of 0.01
 C45-C58
 1.39 with sigma of 0.01
 C58-C139
 1.39 with sigma of 0.02
 C104-C114
 1.39 with sigma of 0.01
 C138-C114
 1.39 with sigma of 0.01
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 1.7A with sigma of 0.004 and
sigma for terminal atoms of 0.008 within 1.7A
3.a Riding coordinates:
 O3(H3), O7(H7A), O9(H9A)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3A), C4(H4), C5(H5), C6(H6), C7(H7), C8(H8), C9(H9), C15(H15), C16(H16),
 C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
  C25(H25), C28(H28), C34(H34), C35(H35), C37(H37), C38(H38), C39(H39),
 C42(H42), C43(H43), C44(H44), C48(H48), C49(H49), C50(H50), C52(H52), C56(H56),
  C57(H57), C62(H62), C63(H63), C64(H64), C65(H65), C66(H66), C68(H68),
 C69(H69), C72(H72), C73(H73), C74(H74), C75(H75), C76(H76), C77(H77), C78(H78),
  C79(H79), C80(H80), C81(H81), C82(H82), C83(H83), C85(H85), C87(H87),
 C88(H88), C89(H89), C90(H90), C91(H91), C93(H93), C94(H94), C96(H96), C97(H97),
  C98(H98), C100(H100), C101(H101), C102(H102), C103(H103), C104(H104),
 C105(H105), C106(H106), C107(H107), C108(H108), C109(H109), C110(H110),
 C111(H111), C112(H112), C113(H113), C114(H114), C115(H115), C116(H116),
 C118(H118), C119(H119), C120(H120), C121(H121), C124(H124), C125(H125),
 C126(H126), C127(H127), C128(H128), C131(H131), C132(H132), C133(H133),
 C134(H134), C135(H135), C136(H136), C138(H138), C139(H139), C140(H140),
 C141(H141), C142(H142), C143(H143), C144(H144), C145(H145), C148(H148)
3.c Fitted hexagon refined as free rotating group:
 C5(C6,C7,C8,C9,C10), C21(C22,C23,C24,C25,C26), C64(C65,C66,C67,C68,C69),
 C71(C72,C73,C74,C75,C76), C87(C88,C89,C90,C91,C92), C115(C116,C117,C118,C119,
 C120), C132(C133,C134,C135,C136,C137)
3.d Tetrahedral OH refined with riding coordinates:
 O2(H2)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.75702(6) 0.54776(4) 0.31100(4) 0.0528(3) Uani 1 1 d . . . . .
Au2 Au 0.79422(6) 0.64244(3) 0.34394(3) 0.0493(3) Uani 1 1 d . . . . .
Au3 Au 0.71570(7) 0.72064(4) 0.36512(4) 0.0620(3) Uani 1 1 d . . . . .
Au4 Au 0.67456(6) 0.66105(4) 0.30001(5) 0.0580(3) Uani 1 1 d . . . . .
Au5 Au 0.79451(6) 0.72670(3) 0.28775(3) 0.0464(2) Uani 1 1 d . . . . .
Au6 Au 0.79015(6) 0.64672(4) 0.24123(3) 0.0466(2) Uani 1 1 d . . . . .
Au7 Au 0.65327(6) 0.65139(4) 0.19117(5) 0.0612(3) Uani 1 1 d . . . . .
Au8 Au 0.75825(6) 0.73118(4) 0.20490(4) 0.0525(3) Uani 1 1 d . . . . .
S1 S 0.7879(3) 0.56147(18) 0.2400(2) 0.0439(12) Uani 1 1 d . . . . .
S2 S 0.5758(4) 0.6562(3) 0.2514(3) 0.070(2) Uani 1 1 d . . . . .
P1 P 0.7052(5) 0.5340(3) 0.3755(3) 0.077(2) Uani 1 1 d . . . . .
P2 P 0.9004(4) 0.6107(2) 0.3729(2) 0.0535(16) Uani 1 1 d . . . . .
P3 P 0.6614(6) 0.7819(3) 0.4017(3) 0.079(3) Uani 1 1 d . . . . .
P4 P 0.8422(4) 0.7966(2) 0.3146(2) 0.0509(15) Uani 1 1 d . . . . .
P5 P 0.7139(5) 0.7886(2) 0.1585(3) 0.0627(19) Uani 1 1 d . . . . .
P6 P 0.7119(5) 0.6387(3) 0.1280(3) 0.070(2) Uani 1 1 d . . . . .
O1 O 0.7728(9) 0.4578(6) 0.2500(7) 0.061(4) Uani 1 1 d . U . . .
O2 O 0.8296(11) 0.4107(7) 0.2014(8) 0.076(4) Uani 1 1 d . U . . .
H2 H 0.828901 0.386465 0.216419 0.114 Uiso 1 1 calc R U . . .
O3 O 0.3706(14) 0.6153(8) 0.3036(13) 0.122(7) Uani 1 1 d . U . . .
H3 H 0.339152 0.637127 0.309599 0.146 Uiso 1 1 d R U . . .
O4 O 0.4105(14) 0.6590(8) 0.2523(12) 0.112(7) Uani 1 1 d . U . . .
C1 C 0.816(2) 0.8281(14) 0.4022(12) 0.092(4) Uani 1 1 d . U . . .
C2 C 0.9749(14) 0.6419(10) 0.3474(9) 0.052(3) Uani 1 1 d . U . . .
C3 C 0.9704(13) 0.6504(10) 0.3031(9) 0.052(3) Uani 1 1 d . U . . .
H3A H 0.931219 0.638259 0.287889 0.063 Uiso 1 1 calc R U . . .
C4 C 0.9618(18) 0.4878(9) 0.3126(11) 0.065(3) Uani 1 1 d . U . . .
H4 H 0.990784 0.480714 0.289098 0.078 Uiso 1 1 calc R U . . .
C5 C 0.8623(14) 0.6429(8) 0.4536(7) 0.102(7) Uani 1 1 d G U . . .
H5 H 0.822018 0.656423 0.440400 0.122 Uiso 1 1 calc R U . . .
C6 C 0.8709(14) 0.6468(8) 0.4977(7) 0.104(7) Uani 1 1 d G U . . .
H6 H 0.836341 0.662928 0.513967 0.124 Uiso 1 1 calc R U . . .
C7 C 0.9311(16) 0.6266(8) 0.5175(5) 0.104(7) Uani 1 1 d G U . . .
H7 H 0.936828 0.629196 0.546967 0.125 Uiso 1 1 calc R U . . .
C8 C 0.9827(14) 0.6025(8) 0.4932(7) 0.104(7) Uani 1 1 d G U . . .
H8 H 1.022994 0.588960 0.506401 0.125 Uiso 1 1 calc R U . . .
C9 C 0.9741(14) 0.5986(8) 0.4491(7) 0.103(7) Uani 1 1 d G U . . .
H9 H 1.008672 0.582455 0.432834 0.123 Uiso 1 1 calc R U . . .
C10 C 0.9139(16) 0.6188(8) 0.4293(5) 0.102(7) Uani 1 1 d G U . . .
C11 C 0.414(2) 0.6221(13) 0.272(2) 0.113(6) Uani 1 1 d . U . . .
C12 C 0.8845(15) 0.4850(11) 0.2169(11) 0.064(3) Uani 1 1 d . U . . .
C13 C 0.9351(16) 0.8019(10) 0.2977(11) 0.064(4) Uani 1 1 d . U . . .
C14 C 0.932(2) 0.7220(13) 0.1196(11) 0.081(3) Uani 1 1 d . U . . .
C15 C 1.0244(13) 0.6773(9) 0.2809(9) 0.051(3) Uani 1 1 d . U . . .
H15 H 1.018162 0.686392 0.252522 0.062 Uiso 1 1 calc R U . . .
C16 C 0.923(2) 0.7603(15) 0.4295(12) 0.092(4) Uani 1 1 d . U . . .
H16 H 0.955452 0.737373 0.439938 0.111 Uiso 1 1 calc R U . . .
C17 C 0.8408(19) 0.3794(7) 0.3699(10) 0.069(3) Uani 1 1 d D U . . .
H17 H 0.815770 0.354658 0.383449 0.082 Uiso 1 1 calc R U . . .
C18 C 0.8363(17) 0.4259(7) 0.3865(9) 0.068(3) Uani 1 1 d D U . . .
H18 H 0.807851 0.432992 0.410198 0.081 Uiso 1 1 calc R U . . .
C19 C 0.9482(17) 0.7843(11) 0.2545(10) 0.063(4) Uani 1 1 d . U . . .
H19 H 0.912104 0.770622 0.237685 0.075 Uiso 1 1 calc R U . . .
C20 C 0.8387(18) 0.8911(10) 0.2865(10) 0.065(4) Uani 1 1 d . U . . .
H20 H 0.887986 0.892104 0.292551 0.078 Uiso 1 1 calc R U . . .
C21 C 0.7735(11) 0.8710(7) 0.1157(7) 0.077(4) Uani 1 1 d G U . . .
H21 H 0.737049 0.866511 0.095509 0.092 Uiso 1 1 calc R U . . .
C22 C 0.8212(12) 0.9095(7) 0.1117(6) 0.078(4) Uani 1 1 d G U . . .
H22 H 0.816700 0.930809 0.088875 0.094 Uiso 1 1 calc R U . . .
C23 C 0.8756(11) 0.9161(6) 0.1419(7) 0.077(4) Uani 1 1 d G U . . .
H23 H 0.907523 0.941910 0.139217 0.092 Uiso 1 1 calc R U . . .
C24 C 0.8823(11) 0.8843(7) 0.1760(7) 0.076(4) Uani 1 1 d G U . . .
H24 H 0.918695 0.888714 0.196193 0.091 Uiso 1 1 calc R U . . .
C25 C 0.8346(12) 0.8457(6) 0.1800(6) 0.075(4) Uani 1 1 d G U . . .
H25 H 0.839045 0.824415 0.202828 0.090 Uiso 1 1 calc R U . . .
C26 C 0.7802(11) 0.8391(6) 0.1498(7) 0.076(4) Uani 1 1 d G U . . .
C27 C 0.8767(16) 0.4611(8) 0.3657(9) 0.067(3) Uani 1 1 d D U . . .
C28 C 0.9870(16) 0.8248(11) 0.3185(11) 0.064(4) Uani 1 1 d . U . . .
H28 H 0.976587 0.838450 0.344971 0.077 Uiso 1 1 calc R U . . .
C29 C 0.872(2) 0.7423(11) 0.1013(11) 0.082(3) Uani 1 1 d D U . . .
C30 C 0.774(2) 0.9116(14) 0.3855(12) 0.095(4) Uani 1 1 d D U . . .
C31 C 0.8731(15) 0.5358(11) 0.2249(11) 0.062(3) Uani 1 1 d . U . . .
C32 C 0.7955(17) 0.8499(10) 0.2943(10) 0.065(4) Uani 1 1 d . U . . .
C33 C 0.7610(16) 0.5360(10) 0.4241(9) 0.078(4) Uani 1 1 d D U . . .
C34 C 1.0822(14) 0.6885(9) 0.3017(9) 0.053(3) Uani 1 1 d . U . . .
H34 H 1.121375 0.700766 0.286507 0.063 Uiso 1 1 calc R U . . .
C35 C 0.924(2) 0.6776(12) 0.1428(11) 0.080(4) Uani 1 1 d . U . . .
H35 H 0.962975 0.664163 0.157033 0.096 Uiso 1 1 calc R U . . .
C36 C 0.802(2) 0.7187(12) 0.1008(11) 0.082(3) Uani 1 1 d . U . . .
C37 C 1.0733(17) 0.8116(11) 0.2652(10) 0.064(4) Uani 1 1 d . U . . .
H37 H 1.120765 0.813584 0.255395 0.076 Uiso 1 1 calc R U . . .
C38 C 0.9466(12) 0.4697(10) 0.2022(11) 0.064(3) Uani 1 1 d D U . . .
H38 H 0.951660 0.437323 0.194985 0.077 Uiso 1 1 calc R U . . .
C39 C 0.628(2) 0.7910(13) 0.0843(9) 0.088(4) Uani 1 1 d D U . . .
H39 H 0.595238 0.808527 0.100552 0.106 Uiso 1 1 calc R U . . .
C40 C 0.8212(16) 0.4502(11) 0.2263(11) 0.065(3) Uani 1 1 d . U . . .
C41 C 0.9210(17) 0.4512(10) 0.3308(9) 0.066(3) Uani 1 1 d D U . . .
C42 C 0.9197(18) 0.4041(9) 0.3130(11) 0.068(3) Uani 1 1 d . U . . .
H42 H 0.944279 0.397424 0.287654 0.081 Uiso 1 1 calc R U . . .
C43 C 1.0211(16) 0.7899(11) 0.2401(11) 0.063(4) Uani 1 1 d . U . . .
H43 H 1.033758 0.778499 0.213103 0.076 Uiso 1 1 calc R U . . .
C44 C 0.9322(12) 0.5687(11) 0.2196(10) 0.062(3) Uani 1 1 d D U . . .
H44 H 0.926955 0.601608 0.224700 0.075 Uiso 1 1 calc R U . . .
C45 C 0.5433(16) 0.5938(13) 0.2567(19) 0.112(6) Uani 1 1 d D U . . .
C46 C 0.6664(19) 0.7568(12) 0.0179(10) 0.090(4) Uani 1 1 d D U . . .
C47 C 0.7255(18) 0.7357(12) 0.0370(9) 0.089(3) Uani 1 1 d D U . . .
C48 C 0.775(2) 0.7125(12) 0.0102(9) 0.091(4) Uani 1 1 d D U . . .
H48 H 0.817300 0.699995 0.021790 0.109 Uiso 1 1 calc R U . . .
C49 C 0.762(3) 0.7077(13) -0.0330(10) 0.092(4) Uani 1 1 d D U . . .
H49 H 0.794878 0.691645 -0.050623 0.111 Uiso 1 1 calc R U . . .
C50 C 0.696(2) 0.7284(12) -0.0503(12) 0.092(4) Uani 1 1 d D U . . .
H50 H 0.685301 0.723655 -0.079041 0.111 Uiso 1 1 calc R U . . .
C51 C 0.8715(18) 0.5107(10) 0.3833(9) 0.070(3) Uani 1 1 d D U . . .
C52 C 0.647(2) 0.3971(13) 0.3460(14) 0.107(7) Uani 1 1 d D U . . .
H52 H 0.652717 0.376366 0.322874 0.129 Uiso 1 1 calc R U . . .
C53 C 0.716(2) 0.9442(11) 0.3746(13) 0.096(4) Uani 1 1 d D U . . .
C54 C 0.852(2) 0.7971(14) 0.3735(13) 0.092(4) Uani 1 1 d . U . . .
C55 C 0.760(2) 0.8578(14) 0.3903(12) 0.093(4) Uani 1 1 d D U . . .
C56 C 0.7226(17) 0.8474(11) 0.2832(10) 0.067(4) Uani 1 1 d . U . . .
H56 H 0.693838 0.820163 0.286708 0.081 Uiso 1 1 calc R U . . .
C57 C 1.0884(14) 0.6832(10) 0.3449(9) 0.053(3) Uani 1 1 d . U . . .
H57 H 1.128631 0.695370 0.359223 0.064 Uiso 1 1 calc R U . . .
C58 C 0.4717(16) 0.5852(10) 0.2682(19) 0.113(5) Uani 1 1 d D U . . .
C59 C 0.8333(16) 0.5215(10) 0.4222(8) 0.077(3) Uani 1 1 d D U . . .
C60 C 0.665(2) 0.4741(15) 0.3779(13) 0.107(7) Uani 1 1 d D U . . .
C61 C 0.744(2) 0.5769(11) 0.1229(11) 0.076(4) Uani 1 1 d . U . . .
C62 C 0.8817(19) 0.3687(10) 0.3336(11) 0.069(3) Uani 1 1 d . U . . .
H62 H 0.883053 0.337182 0.323322 0.083 Uiso 1 1 calc R U . . .
C63 C 0.802(2) 0.5635(12) 0.1013(11) 0.078(4) Uani 1 1 d . U . . .
H63 H 0.829922 0.587247 0.088180 0.093 Uiso 1 1 calc R U . . .
C64 C 0.4232(11) 0.7605(9) 0.3675(9) 0.098(6) Uani 1 1 d DG U . . .
H64 H 0.374944 0.755219 0.360361 0.118 Uiso 1 1 calc R U . . .
C65 C 0.4412(13) 0.7759(9) 0.4085(8) 0.098(6) Uani 1 1 d DG U . . .
H65 H 0.405113 0.780997 0.428740 0.118 Uiso 1 1 calc R U . . .
C66 C 0.5133(14) 0.7838(9) 0.4192(7) 0.098(6) Uani 1 1 d DG U . . .
H66 H 0.525400 0.794109 0.446626 0.117 Uiso 1 1 calc R U . . .
C67 C 0.5673(11) 0.7762(9) 0.3890(9) 0.097(6) Uani 1 1 d DG U . . .
C68 C 0.5492(13) 0.7607(9) 0.3480(8) 0.098(6) Uani 1 1 d DG U . . .
H68 H 0.585351 0.755663 0.327754 0.117 Uiso 1 1 calc R U . . .
C69 C 0.4772(15) 0.7529(8) 0.3373(7) 0.099(6) Uani 1 1 d DG U . . .
H69 H 0.465064 0.742552 0.309867 0.118 Uiso 1 1 calc R U . . .
C70 C 0.794(2) 0.6762(12) 0.1201(10) 0.078(4) Uani 1 1 d . U . . .
C71 C 0.6308(10) 0.8171(7) 0.1815(8) 0.083(5) Uani 1 1 d G U . . .
C72 C 0.6086(11) 0.8626(7) 0.1680(7) 0.082(5) Uani 1 1 d G U . . .
H72 H 0.635213 0.879053 0.147355 0.099 Uiso 1 1 calc R U . . .
C73 C 0.5468(11) 0.8835(6) 0.1853(8) 0.083(5) Uani 1 1 d G U . . .
H73 H 0.532017 0.913881 0.176283 0.099 Uiso 1 1 calc R U . . .
C74 C 0.5071(10) 0.8589(7) 0.2162(8) 0.083(5) Uani 1 1 d G U . . .
H74 H 0.465726 0.872836 0.227799 0.100 Uiso 1 1 calc R U . . .
C75 C 0.5292(11) 0.8134(7) 0.2297(7) 0.083(5) Uani 1 1 d G U . . .
H75 H 0.502630 0.796963 0.250386 0.100 Uiso 1 1 calc R U . . .
C76 C 0.5910(11) 0.7925(6) 0.2124(8) 0.083(5) Uani 1 1 d G U . . .
H76 H 0.605825 0.762134 0.221458 0.100 Uiso 1 1 calc R U . . .
C77 C 0.8020(18) 0.9293(11) 0.2694(10) 0.068(4) Uani 1 1 d . U . . .
H77 H 0.829915 0.956430 0.263514 0.081 Uiso 1 1 calc R U . . .
C78 C 1.0570(16) 0.8292(11) 0.3020(11) 0.065(4) Uani 1 1 d . U . . .
H78 H 1.092216 0.845144 0.317947 0.078 Uiso 1 1 calc R U . . .
C79 C 0.7308(18) 0.9333(12) 0.2599(10) 0.069(4) Uani 1 1 d . U . . .
H79 H 0.708462 0.961437 0.250590 0.082 Uiso 1 1 calc R U . . .
C80 C 1.0329(14) 0.6587(10) 0.3680(9) 0.055(3) Uani 1 1 d . U . . .
H80 H 1.036992 0.654585 0.397453 0.066 Uiso 1 1 calc R U . . .
C81 C 0.9976(12) 0.5491(8) 0.2065(10) 0.064(3) Uani 1 1 d D U . . .
H81 H 1.037706 0.569181 0.204043 0.077 Uiso 1 1 calc R U . . .
C82 C 0.6974(19) 0.8919(11) 0.2657(10) 0.069(4) Uani 1 1 d . U . . .
H82 H 0.649353 0.891521 0.256825 0.083 Uiso 1 1 calc R U . . .
C83 C 0.909(2) 0.7610(14) 0.3878(12) 0.091(4) Uani 1 1 d . U . . .
H83 H 0.932231 0.740582 0.368636 0.110 Uiso 1 1 calc R U . . .
C84 C 0.739(2) 0.7419(12) 0.0804(8) 0.086(3) Uani 1 1 d D U . . .
C85 C 0.728(2) 0.9928(11) 0.3665(12) 0.097(4) Uani 1 1 d D U . . .
H85 H 0.690030 1.013261 0.358939 0.117 Uiso 1 1 calc R U . . .
C86 C 0.9137(19) 0.5466(10) 0.3614(10) 0.066(3) Uani 1 1 d . U . . .
C87 C 0.6721(12) 0.6258(8) 0.0422(8) 0.090(5) Uani 1 1 d G U . . .
H87 H 0.716679 0.610626 0.039112 0.108 Uiso 1 1 calc R U . . .
C88 C 0.6239(15) 0.6273(8) 0.0081(6) 0.092(5) Uani 1 1 d G U . . .
H88 H 0.636253 0.613117 -0.017890 0.111 Uiso 1 1 calc R U . . .
C89 C 0.5573(13) 0.6500(9) 0.0128(7) 0.093(5) Uani 1 1 d G U . . .
H89 H 0.525014 0.650957 -0.010074 0.111 Uiso 1 1 calc R U . . .
C90 C 0.5388(12) 0.6711(8) 0.0516(8) 0.093(5) Uani 1 1 d G U . . .
H90 H 0.494198 0.686308 0.054744 0.111 Uiso 1 1 calc R U . . .
C91 C 0.5870(15) 0.6696(8) 0.0858(6) 0.091(5) Uani 1 1 d G U . . .
H91 H 0.574624 0.683818 0.111747 0.110 Uiso 1 1 calc R U . . .
C92 C 0.6536(13) 0.6470(9) 0.0811(7) 0.089(5) Uani 1 1 d G U . . .
C93 C 0.9609(18) 0.5331(9) 0.3279(10) 0.064(3) Uani 1 1 d . U . . .
H93 H 0.991974 0.556005 0.316207 0.077 Uiso 1 1 calc R U . . .
C94 C 0.674(2) 0.4432(12) 0.3434(15) 0.107(7) Uani 1 1 d D U . . .
H94 H 0.698457 0.453501 0.319011 0.128 Uiso 1 1 calc R U . . .
C95 C 0.694(2) 0.7714(12) 0.1044(11) 0.087(4) Uani 1 1 d D U . . .
C96 C 0.732(2) 0.4957(12) 0.1443(11) 0.078(4) Uani 1 1 d . U . . .
H96 H 0.709747 0.471562 0.160080 0.093 Uiso 1 1 calc R U . . .
C97 C 0.858(2) 0.6553(12) 0.1441(11) 0.077(4) Uani 1 1 d . U . . .
H97 H 0.852526 0.627024 0.159720 0.093 Uiso 1 1 calc R U . . .
C98 C 0.823(2) 0.5160(12) 0.0973(11) 0.079(4) Uani 1 1 d . U . . .
H98 H 0.862347 0.507800 0.079863 0.095 Uiso 1 1 calc R U . . .
C99 C 0.6877(18) 0.8436(12) 0.3895(12) 0.093(4) Uani 1 1 d D U . . .
C100 C 0.854(2) 0.9805(13) 0.3858(12) 0.096(4) Uani 1 1 d D U . . .
H100 H 0.898713 0.994290 0.392928 0.116 Uiso 1 1 calc R U . . .
C101 C 0.7981(19) 1.0094(13) 0.3702(12) 0.097(4) Uani 1 1 d D U . . .
H101 H 0.808330 1.040902 0.362006 0.116 Uiso 1 1 calc R U . . .
C102 C 0.843(2) 0.9306(14) 0.3905(13) 0.096(4) Uani 1 1 d D U . . .
H102 H 0.882253 0.910395 0.396790 0.116 Uiso 1 1 calc R U . . .
C103 C 1.0051(13) 0.5005(7) 0.1969(10) 0.065(3) Uani 1 1 d D U . . .
H103 H 1.049126 0.488638 0.186981 0.078 Uiso 1 1 calc R U . . .
C104 C 0.587(2) 0.5552(9) 0.2460(19) 0.113(6) Uani 1 1 d D U . . .
H104 H 0.631828 0.561690 0.234182 0.135 Uiso 1 1 calc R U . . .
C105 C 0.788(2) 0.4826(12) 0.1186(11) 0.078(4) Uani 1 1 d . U . . .
H105 H 0.801167 0.450279 0.116021 0.094 Uiso 1 1 calc R U . . .
C106 C 0.634(2) 0.8779(10) 0.3796(12) 0.094(4) Uani 1 1 d D U . . .
H106 H 0.587278 0.866677 0.376561 0.113 Uiso 1 1 calc R U . . .
C107 C 0.616(2) 0.7833(12) 0.0411(9) 0.090(4) Uani 1 1 d D U . . .
H107 H 0.574814 0.795668 0.027849 0.108 Uiso 1 1 calc R U . . .
C108 C 0.941(2) 0.8125(13) 0.0775(11) 0.084(4) Uani 1 1 d D U . . .
H108 H 0.943213 0.842478 0.064128 0.100 Uiso 1 1 calc R U . . .
C109 C 0.999(2) 0.7922(12) 0.0985(11) 0.084(4) Uani 1 1 d D U . . .
H109 H 1.041499 0.810206 0.097806 0.100 Uiso 1 1 calc R U . . .
C110 C 1.003(2) 0.7496(12) 0.1202(12) 0.083(4) Uani 1 1 d . U . . .
H110 H 1.044936 0.738669 0.133723 0.099 Uiso 1 1 calc R U . . .
C111 C 0.646(2) 0.9272(11) 0.3739(13) 0.095(4) Uani 1 1 d D U . . .
H111 H 0.606881 0.948122 0.369658 0.114 Uiso 1 1 calc R U . . .
C112 C 0.881(2) 0.7865(11) 0.0778(11) 0.083(4) Uani 1 1 d D U . . .
H112 H 0.842082 0.797426 0.061696 0.099 Uiso 1 1 calc R U . . .
C113 C 0.610(2) 0.3808(16) 0.3820(13) 0.108(7) Uani 1 1 d D U . . .
H113 H 0.594482 0.348983 0.383994 0.130 Uiso 1 1 calc R U . . .
C114 C 0.5675(16) 0.5072(10) 0.2518(19) 0.114(6) Uani 1 1 d D U . . .
H114 H 0.601459 0.482445 0.252899 0.136 Uiso 1 1 calc R U . . .
C115 C 0.6576(18) 0.8241(8) 0.5303(8) 0.116(7) Uani 1 1 d G U . . .
H115 H 0.637447 0.849479 0.545670 0.139 Uiso 1 1 calc R U . . .
C116 C 0.6435(17) 0.8195(9) 0.4868(8) 0.115(7) Uani 1 1 d G U . . .
H116 H 0.613822 0.841761 0.473041 0.138 Uiso 1 1 calc R U . . .
C117 C 0.6737(19) 0.7816(10) 0.4637(7) 0.114(7) Uani 1 1 d G U . . .
C118 C 0.7180(18) 0.7483(8) 0.4842(8) 0.115(7) Uani 1 1 d G U . . .
H118 H 0.738231 0.722898 0.468824 0.139 Uiso 1 1 calc R U . . .
C119 C 0.7322(16) 0.7529(9) 0.5277(8) 0.116(7) Uani 1 1 d G U . . .
H119 H 0.761856 0.730615 0.541453 0.139 Uiso 1 1 calc R U . . .
C120 C 0.7020(19) 0.7908(9) 0.5508(7) 0.116(7) Uani 1 1 d G U . . .
H120 H 0.711465 0.793906 0.579876 0.140 Uiso 1 1 calc R U . . .
C121 C 0.9361(17) 0.4890(11) 0.4630(12) 0.087(4) Uani 1 1 d D U . . .
H121 H 0.953518 0.483094 0.435573 0.104 Uiso 1 1 calc R U . . .
C122 C 0.8683(16) 0.5106(11) 0.4606(8) 0.084(3) Uani 1 1 d D U . . .
C123 C 0.8419(17) 0.5167(11) 0.5018(8) 0.086(3) Uani 1 1 d D U . . .
C124 C 0.8805(18) 0.5032(11) 0.5382(11) 0.090(4) Uani 1 1 d D U . . .
H124 H 0.861506 0.506169 0.565690 0.108 Uiso 1 1 calc R U . . .
C125 C 0.9494(19) 0.4850(12) 0.5306(12) 0.090(4) Uani 1 1 d D U . . .
H125 H 0.976160 0.479601 0.555326 0.108 Uiso 1 1 calc R U . . .
C126 C 0.9862(18) 0.4732(12) 0.4931(9) 0.090(4) Uani 1 1 d D U . . .
H126 H 1.031331 0.459001 0.489315 0.107 Uiso 1 1 calc R U . . .
C127 C 0.7284(18) 0.5385(11) 0.4644(8) 0.082(4) Uani 1 1 d D U . . .
H127 H 0.679124 0.544911 0.466897 0.098 Uiso 1 1 calc R U . . .
C128 C 0.7702(16) 0.5312(11) 0.5008(10) 0.086(4) Uani 1 1 d D U . . .
H128 H 0.747867 0.536656 0.527004 0.103 Uiso 1 1 calc R U . . .
C129 C 0.891(2) 0.7934(14) 0.4588(11) 0.094(4) Uani 1 1 d D U . . .
C130 C 0.837(2) 0.8263(12) 0.4483(11) 0.094(4) Uani 1 1 d D U . . .
C131 C 0.805(2) 0.8562(13) 0.4788(10) 0.097(4) Uani 1 1 d D U . . .
H131 H 0.765450 0.876059 0.473646 0.116 Uiso 1 1 calc R U . . .
C132 C 0.6616(13) 0.6200(11) 0.4212(10) 0.114(7) Uani 1 1 d DG U . . .
H132 H 0.706207 0.621072 0.434923 0.136 Uiso 1 1 calc R U . . .
C133 C 0.6110(17) 0.6562(9) 0.4281(9) 0.113(7) Uani 1 1 d DG U . . .
H133 H 0.621704 0.681595 0.446593 0.136 Uiso 1 1 calc R U . . .
C134 C 0.5443(15) 0.6546(9) 0.4076(10) 0.112(7) Uani 1 1 d DG U . . .
H134 H 0.510442 0.678871 0.412236 0.135 Uiso 1 1 calc R U . . .
C135 C 0.5283(13) 0.6167(11) 0.3800(10) 0.112(7) Uani 1 1 d DG U . . .
H135 H 0.483681 0.615623 0.366210 0.134 Uiso 1 1 calc R U . . .
C136 C 0.5789(17) 0.5805(9) 0.3730(9) 0.113(7) Uani 1 1 d DG U . . .
H136 H 0.568183 0.555100 0.354540 0.135 Uiso 1 1 calc R U . . .
C137 C 0.6456(15) 0.5821(9) 0.3936(10) 0.113(7) Uani 1 1 d DG U . . .
C138 C 0.4936(16) 0.4988(13) 0.2557(19) 0.114(6) Uani 1 1 d D U . . .
H138 H 0.475691 0.467515 0.253814 0.137 Uiso 1 1 calc R U . . .
C139 C 0.445(2) 0.5386(10) 0.2628(18) 0.114(6) Uani 1 1 d D U . . .
H139 H 0.394882 0.533238 0.263692 0.136 Uiso 1 1 calc R U . . .
C140 C 0.651(2) 0.7546(13) -0.0252(10) 0.092(4) Uani 1 1 d D U . . .
H140 H 0.610511 0.770314 -0.036692 0.110 Uiso 1 1 calc R U . . .
C141 C 0.626(2) 0.4594(13) 0.4141(14) 0.108(7) Uani 1 1 d D U . . .
H141 H 0.618740 0.480270 0.437095 0.130 Uiso 1 1 calc R U . . .
C142 C 0.599(2) 0.4133(13) 0.4147(15) 0.109(7) Uani 1 1 d D U . . .
H142 H 0.571132 0.403608 0.438123 0.131 Uiso 1 1 calc R U . . .
C143 C 0.920(2) 0.7922(14) 0.4997(10) 0.097(4) Uani 1 1 d D U . . .
H143 H 0.958587 0.771503 0.505444 0.116 Uiso 1 1 calc R U . . .
C144 C 0.894(2) 0.8205(13) 0.5319(11) 0.099(4) Uani 1 1 d D U . . .
H144 H 0.909845 0.818858 0.560061 0.119 Uiso 1 1 calc R U . . .
C145 C 0.840(2) 0.8522(14) 0.5180(11) 0.098(4) Uani 1 1 d D U . . .
H145 H 0.825529 0.874587 0.538428 0.118 Uiso 1 1 calc R U . . .
C148 C 0.707(2) 0.5423(11) 0.1488(11) 0.075(4) Uani 1 1 d . U . . .
H148 H 0.668631 0.550356 0.166930 0.090 Uiso 1 1 calc R U . . .
O5 O 0.6841(12) 0.2248(9) 0.2203(10) 0.115(7) Uani 1 1 d D U . . .
O6 O 0.7219(12) 0.1799(9) 0.1626(11) 0.115(7) Uani 1 1 d D U . . .
O7 O 0.7663(12) 0.2564(9) 0.1709(12) 0.119(8) Uani 1 1 d D U . . .
H7A H 0.756079 0.284514 0.187855 0.178 Uiso 1 1 d R U . . .
C146 C 0.7249(18) 0.2191(10) 0.1862(11) 0.115(7) Uani 1 1 d D U . . .
O8 O 0.7538(12) 0.3372(9) 0.2231(13) 0.123(8) Uani 1 1 d . U . . .
O9 O 0.6647(13) 0.3964(9) 0.2484(14) 0.131(8) Uani 1 1 d . U . . .
H9A H 0.701348 0.413148 0.249128 0.197 Uiso 1 1 d R U . . .
O10 O 0.6374(14) 0.3150(9) 0.2438(15) 0.131(8) Uani 1 1 d . U . . .
C147 C 0.685(2) 0.3501(15) 0.237(2) 0.129(8) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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 Au2 2.9006(15) . ?
Au1 S1 2.320(6) . ?
Au1 P1 2.263(9) . ?
Au2 Au3 2.6902(15) . ?
Au2 Au4 2.6525(17) . ?
Au2 Au5 2.9208(14) . ?
Au2 Au6 3.2112(15) . ?
Au2 P2 2.332(8) . ?
Au3 Au4 2.7278(18) . ?
Au3 Au5 2.8264(16) . ?
Au3 P3 2.278(8) . ?
Au4 Au5 2.8925(14) . ?
Au4 Au6 2.8440(16) . ?
Au4 S2 2.378(8) . ?
Au5 Au6 2.6512(14) . ?
Au5 Au8 2.6758(16) . ?
Au5 P4 2.287(6) . ?
Au6 Au7 2.9759(16) . ?
Au6 Au8 2.6668(14) . ?
Au6 S1 2.363(5) . ?
Au7 Au8 2.9721(15) . ?
Au7 S2 2.366(10) . ?
Au7 P6 2.278(9) . ?
Au8 P5 2.303(7) . ?
S1 C31 1.79(3) . ?
S2 C45 1.84(3) . ?
P1 C33 1.84(3) . ?
P1 C60 1.82(4) . ?
P1 C137 1.82(2) . ?
P2 C2 1.81(3) . ?
P2 C10 1.795(16) . ?
P2 C86 1.83(3) . ?
P3 C67 1.79(2) . ?
P3 C99 1.82(4) . ?
P3 C117 1.95(2) . ?
P4 C13 1.80(3) . ?
P4 C32 1.83(3) . ?
P4 C54 1.85(4) . ?
P5 C26 1.878(14) . ?
P5 C71 1.871(18) . ?
P5 C95 1.80(3) . ?
P6 C61 1.82(4) . ?
P6 C70 1.85(4) . ?
P6 C92 1.832(18) . ?
O1 C40 1.18(4) . ?
O2 H2 0.8200 . ?
O2 C40 1.35(4) . ?
O3 H3 0.8600 . ?
O3 C11 1.29(6) . ?
O4 C11 1.20(5) . ?
C1 C54 1.41(5) . ?
C1 C55 1.38(6) . ?
C1 C130 1.49(5) . ?
C2 C3 1.41(4) . ?
C2 C80 1.33(4) . ?
C3 H3A 0.9300 . ?
C3 C15 1.42(4) . ?
C4 H4 0.9300 . ?
C4 C41 1.38(4) . ?
C4 C93 1.34(4) . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C5 C10 1.3900 . ?
C6 H6 0.9300 . ?
C6 C7 1.3900 . ?
C7 H7 0.9300 . ?
C7 C8 1.3900 . ?
C8 H8 0.9300 . ?
C8 C9 1.3900 . ?
C9 H9 0.9300 . ?
C9 C10 1.3900 . ?
C11 C58 1.48(5) . ?
C12 C31 1.44(4) . ?
C12 C38 1.31(4) . ?
C12 C40 1.54(4) . ?
C13 C19 1.45(5) . ?
C13 C28 1.32(4) . ?
C14 C29 1.37(5) . ?
C14 C35 1.44(5) . ?
C14 C110 1.53(5) . ?
C15 H15 0.9300 . ?
C15 C34 1.29(4) . ?
C16 H16 0.9300 . ?
C16 C83 1.33(5) . ?
C16 C129 1.42(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.391(13) . ?
C17 C62 1.39(5) . ?
C18 H18 0.9300 . ?
C18 C27 1.390(13) . ?
C19 H19 0.9300 . ?
C19 C43 1.43(4) . ?
C20 H20 0.9300 . ?
C20 C32 1.41(4) . ?
C20 C77 1.37(4) . ?
C21 H21 0.9300 . ?
C21 C22 1.3900 . ?
C21 C26 1.3900 . ?
C22 H22 0.9300 . ?
C22 C23 1.3900 . ?
C23 H23 0.9300 . ?
C23 C24 1.3900 . ?
C24 H24 0.9300 . ?
C24 C25 1.3900 . ?
C25 H25 0.9300 . ?
C25 C26 1.3900 . ?
C27 C41 1.391(13) . ?
C27 C51 1.48(4) . ?
C28 H28 0.9300 . ?
C28 C78 1.40(4) . ?
C29 C36 1.45(5) . ?
C29 C112 1.44(2) . ?
C30 C53 1.44(5) . ?
C30 C55 1.52(5) . ?
C30 C102 1.39(3) . ?
C31 C44 1.43(4) . ?
C32 C56 1.39(4) . ?
C33 C59 1.394(13) . ?
C33 C127 1.400(13) . ?
C34 H34 0.9300 . ?
C34 C57 1.36(4) . ?
C35 H35 0.9300 . ?
C35 C97 1.36(5) . ?
C36 C70 1.33(5) . ?
C36 C84 1.46(5) . ?
C37 H37 0.9300 . ?
C37 C43 1.38(4) . ?
C37 C78 1.28(4) . ?
C38 H38 0.9300 . ?
C38 C103 1.387(13) . ?
C39 H39 0.9300 . ?
C39 C95 1.47(5) . ?
C39 C107 1.386(13) . ?
C41 C42 1.42(4) . ?
C42 H42 0.9300 . ?
C42 C62 1.37(4) . ?
C43 H43 0.9300 . ?
C44 H44 0.9300 . ?
C44 C81 1.387(13) . ?
C45 C58 1.391(13) . ?
C45 C104 1.38(5) . ?
C46 C47 1.38(2) . ?
C46 C107 1.389(13) . ?
C46 C140 1.38(2) . ?
C47 C48 1.39(2) . ?
C47 C84 1.392(13) . ?
C48 H48 0.9300 . ?
C48 C49 1.38(2) . ?
C49 H49 0.9300 . ?
C49 C50 1.45(5) . ?
C50 H50 0.9300 . ?
C50 C140 1.36(3) . ?
C51 C59 1.44(2) . ?
C51 C86 1.44(4) . ?
C52 H52 0.9300 . ?
C52 C94 1.38(2) . ?
C52 C113 1.39(3) . ?
C53 C85 1.39(2) . ?
C53 C111 1.38(3) . ?
C54 C83 1.51(6) . ?
C55 C99 1.39(3) . ?
C56 H56 0.9300 . ?
C56 C82 1.42(4) . ?
C57 H57 0.9300 . ?
C57 C80 1.43(4) . ?
C58 C139 1.40(2) . ?
C59 C122 1.394(13) . ?
C60 C94 1.388(19) . ?
C60 C141 1.40(3) . ?
C61 C63 1.32(5) . ?
C61 C148 1.43(4) . ?
C62 H62 0.9300 . ?
C63 H63 0.9300 . ?
C63 C98 1.38(5) . ?
C64 H64 0.9300 . ?
C64 C65 1.3900 . ?
C64 C69 1.3900 . ?
C65 H65 0.9300 . ?
C65 C66 1.3900 . ?
C66 H66 0.9300 . ?
C66 C67 1.3900 . ?
C67 C68 1.3900 . ?
C68 H68 0.9300 . ?
C68 C69 1.3900 . ?
C69 H69 0.9300 . ?
C70 C97 1.52(5) . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C72 H72 0.9300 . ?
C72 C73 1.3900 . ?
C73 H73 0.9300 . ?
C73 C74 1.3900 . ?
C74 H74 0.9300 . ?
C74 C75 1.3900 . ?
C75 H75 0.9300 . ?
C75 C76 1.3900 . ?
C76 H76 0.9300 . ?
C77 H77 0.9300 . ?
C77 C79 1.35(5) . ?
C78 H78 0.9300 . ?
C79 H79 0.9300 . ?
C79 C82 1.31(5) . ?
C80 H80 0.9300 . ?
C81 H81 0.9300 . ?
C81 C103 1.386(13) . ?
C82 H82 0.9300 . ?
C83 H83 0.9300 . ?
C84 C95 1.387(13) . ?
C85 H85 0.9300 . ?
C85 C101 1.38(3) . ?
C86 C93 1.41(5) . ?
C87 H87 0.9300 . ?
C87 C88 1.3900 . ?
C87 C92 1.3900 . ?
C88 H88 0.9300 . ?
C88 C89 1.3900 . ?
C89 H89 0.9300 . ?
C89 C90 1.3900 . ?
C90 H90 0.9300 . ?
C90 C91 1.3900 . ?
C91 H91 0.9300 . ?
C91 C92 1.3900 . ?
C93 H93 0.9300 . ?
C94 H94 0.9300 . ?
C96 H96 0.9300 . ?
C96 C105 1.36(5) . ?
C96 C148 1.38(5) . ?
C97 H97 0.9300 . ?
C98 H98 0.9300 . ?
C98 C105 1.31(5) . ?
C99 C106 1.40(2) . ?
C100 H100 0.9300 . ?
C100 C101 1.40(3) . ?
C100 C102 1.41(5) . ?
C101 H101 0.9300 . ?
C102 H102 0.9300 . ?
C103 H103 0.9300 . ?
C104 H104 0.9300 . ?
C104 C114 1.389(13) . ?
C105 H105 0.9300 . ?
C106 H106 0.9300 . ?
C106 C111 1.39(2) . ?
C107 H107 0.9300 . ?
C108 H108 0.9300 . ?
C108 C109 1.38(3) . ?
C108 C112 1.32(5) . ?
C109 H109 0.9300 . ?
C109 C110 1.36(5) . ?
C110 H110 0.9300 . ?
C111 H111 0.9300 . ?
C112 H112 0.9300 . ?
C113 H113 0.9300 . ?
C113 C142 1.38(3) . ?
C114 H114 0.9300 . ?
C114 C138 1.389(13) . ?
C115 H115 0.9300 . ?
C115 C116 1.3900 . ?
C115 C120 1.3900 . ?
C116 H116 0.9300 . ?
C116 C117 1.3900 . ?
C117 C118 1.3900 . ?
C118 H118 0.9300 . ?
C118 C119 1.3900 . ?
C119 H119 0.9300 . ?
C119 C120 1.3900 . ?
C120 H120 0.9300 . ?
C121 H121 0.9300 . ?
C121 C122 1.390(13) . ?
C121 C126 1.390(13) . ?
C122 C123 1.389(13) . ?
C123 C124 1.393(13) . ?
C123 C128 1.384(13) . ?
C124 H124 0.9300 . ?
C124 C125 1.391(14) . ?
C125 H125 0.9300 . ?
C125 C126 1.392(13) . ?
C126 H126 0.9300 . ?
C127 H127 0.9300 . ?
C127 C128 1.387(13) . ?
C128 H128 0.9300 . ?
C129 C130 1.390(14) . ?
C129 C143 1.39(2) . ?
C130 C131 1.397(13) . ?
C131 H131 0.9300 . ?
C131 C145 1.39(2) . ?
C132 H132 0.9300 . ?
C132 C133 1.3900 . ?
C132 C137 1.3900 . ?
C133 H133 0.9300 . ?
C133 C134 1.3900 . ?
C134 H134 0.9300 . ?
C134 C135 1.3900 . ?
C135 H135 0.9300 . ?
C135 C136 1.3900 . ?
C136 H136 0.9300 . ?
C136 C137 1.3900 . ?
C138 H138 0.9300 . ?
C138 C139 1.45(5) . ?
C139 H139 0.9300 . ?
C140 H140 0.9300 . ?
C141 H141 0.9300 . ?
C141 C142 1.37(2) . ?
C142 H142 0.9300 . ?
C143 H143 0.9300 . ?
C143 C144 1.37(2) . ?
C144 H144 0.9300 . ?
C144 C145 1.391(14) . ?
C145 H145 0.9300 . ?
C148 H148 0.9300 . ?
O5 C146 1.315(13) . ?
O6 C146 1.315(13) . ?
O7 H7A 0.9600 . ?
O7 C146 1.372(13) . ?
O8 C147 1.38(5) . ?
O9 H9A 0.8201 . ?
O9 C147 1.39(5) . ?
O10 C147 1.33(5) . ?

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
S1 Au1 Au2 97.61(13) . . ?
P1 Au1 Au2 86.4(2) . . ?
P1 Au1 S1 169.2(3) . . ?
Au1 Au2 Au5 120.68(5) . . ?
Au1 Au2 Au6 70.94(4) . . ?
Au3 Au2 Au1 133.47(6) . . ?
Au3 Au2 Au5 60.33(4) . . ?
Au3 Au2 Au6 101.73(5) . . ?
Au4 Au2 Au1 78.16(4) . . ?
Au4 Au2 Au3 61.40(5) . . ?
Au4 Au2 Au5 62.31(4) . . ?
Au4 Au2 Au6 57.08(4) . . ?
Au5 Au2 Au6 50.97(3) . . ?
P2 Au2 Au1 89.76(16) . . ?
P2 Au2 Au3 131.45(17) . . ?
P2 Au2 Au4 167.13(17) . . ?
P2 Au2 Au5 122.17(17) . . ?
P2 Au2 Au6 114.87(18) . . ?
Au2 Au3 Au4 58.62(4) . . ?
Au2 Au3 Au5 63.88(4) . . ?
Au4 Au3 Au5 62.74(4) . . ?
P3 Au3 Au2 163.9(3) . . ?
P3 Au3 Au4 134.6(3) . . ?
P3 Au3 Au5 127.7(2) . . ?
Au2 Au4 Au3 59.98(4) . . ?
Au2 Au4 Au5 63.40(4) . . ?
Au2 Au4 Au6 71.40(4) . . ?
Au3 Au4 Au5 60.30(4) . . ?
Au3 Au4 Au6 110.89(5) . . ?
Au6 Au4 Au5 55.05(3) . . ?
S2 Au4 Au2 163.5(2) . . ?
S2 Au4 Au3 136.4(2) . . ?
S2 Au4 Au5 122.6(2) . . ?
S2 Au4 Au6 99.0(2) . . ?
Au3 Au5 Au2 55.79(4) . . ?
Au3 Au5 Au4 56.96(4) . . ?
Au4 Au5 Au2 54.29(4) . . ?
Au6 Au5 Au2 70.19(4) . . ?
Au6 Au5 Au3 113.79(5) . . ?
Au6 Au5 Au4 61.55(4) . . ?
Au6 Au5 Au8 60.08(4) . . ?
Au8 Au5 Au2 128.15(5) . . ?
Au8 Au5 Au3 134.48(6) . . ?
Au8 Au5 Au4 88.02(5) . . ?
P4 Au5 Au2 117.18(19) . . ?
P4 Au5 Au3 86.25(17) . . ?
P4 Au5 Au4 141.16(18) . . ?
P4 Au5 Au6 157.02(18) . . ?
P4 Au5 Au8 114.34(19) . . ?
Au4 Au6 Au2 51.53(4) . . ?
Au4 Au6 Au7 72.25(5) . . ?
Au5 Au6 Au2 58.84(4) . . ?
Au5 Au6 Au4 63.40(4) . . ?
Au5 Au6 Au7 106.10(5) . . ?
Au5 Au6 Au8 60.42(4) . . ?
Au7 Au6 Au2 123.12(5) . . ?
Au8 Au6 Au2 117.56(5) . . ?
Au8 Au6 Au4 89.21(5) . . ?
Au8 Au6 Au7 63.29(4) . . ?
S1 Au6 Au2 88.81(16) . . ?
S1 Au6 Au4 97.83(16) . . ?
S1 Au6 Au5 147.65(16) . . ?
S1 Au6 Au7 91.15(16) . . ?
S1 Au6 Au8 150.08(16) . . ?
Au8 Au7 Au6 53.28(3) . . ?
S2 Au7 Au6 95.7(2) . . ?
S2 Au7 Au8 103.79(19) . . ?
P6 Au7 Au6 92.6(2) . . ?
P6 Au7 Au8 86.0(2) . . ?
P6 Au7 S2 169.8(3) . . ?
Au5 Au8 Au7 105.57(5) . . ?
Au6 Au8 Au5 59.50(4) . . ?
Au6 Au8 Au7 63.44(4) . . ?
P5 Au8 Au5 136.8(2) . . ?
P5 Au8 Au6 162.34(19) . . ?
P5 Au8 Au7 101.03(18) . . ?
Au1 S1 Au6 98.8(2) . . ?
C31 S1 Au1 113.8(11) . . ?
C31 S1 Au6 112.7(10) . . ?
Au7 S2 Au4 92.7(3) . . ?
C45 S2 Au4 104.2(17) . . ?
C45 S2 Au7 102.5(15) . . ?
C33 P1 Au1 119.6(10) . . ?
C60 P1 Au1 111.4(13) . . ?
C60 P1 C33 102.9(17) . . ?
C137 P1 Au1 114.2(10) . . ?
C137 P1 C33 93.6(15) . . ?
C137 P1 C60 113.8(17) . . ?
C2 P2 Au2 106.9(9) . . ?
C2 P2 C86 106.0(15) . . ?
C10 P2 Au2 116.8(11) . . ?
C10 P2 C2 105.5(12) . . ?
C10 P2 C86 107.1(13) . . ?
C86 P2 Au2 113.8(11) . . ?
C67 P3 Au3 104.5(9) . . ?
C67 P3 C99 107.2(15) . . ?
C67 P3 C117 109.5(14) . . ?
C99 P3 Au3 118.6(11) . . ?
C99 P3 C117 100.4(15) . . ?
C117 P3 Au3 116.3(9) . . ?
C13 P4 Au5 109.2(10) . . ?
C13 P4 C32 106.4(14) . . ?
C13 P4 C54 101.2(18) . . ?
C32 P4 Au5 112.1(10) . . ?
C32 P4 C54 112.8(17) . . ?
C54 P4 Au5 114.3(12) . . ?
C26 P5 Au8 112.0(7) . . ?
C71 P5 Au8 110.0(8) . . ?
C71 P5 C26 106.0(10) . . ?
C95 P5 Au8 118.8(12) . . ?
C95 P5 C26 101.2(14) . . ?
C95 P5 C71 107.9(15) . . ?
C61 P6 Au7 112.1(12) . . ?
C61 P6 C70 104.6(17) . . ?
C61 P6 C92 103.8(14) . . ?
C70 P6 Au7 114.6(11) . . ?
C92 P6 Au7 113.2(10) . . ?
C92 P6 C70 107.7(14) . . ?
C40 O2 H2 109.5 . . ?
C11 O3 H3 119.1 . . ?
C54 C1 C130 118(4) . . ?
C55 C1 C54 123(4) . . ?
C55 C1 C130 119(3) . . ?
C3 C2 P2 118.0(19) . . ?
C80 C2 P2 124(2) . . ?
C80 C2 C3 118(2) . . ?
C2 C3 H3A 119.1 . . ?
C2 C3 C15 122(2) . . ?
C15 C3 H3A 119.1 . . ?
C41 C4 H4 118.9 . . ?
C93 C4 H4 118.9 . . ?
C93 C4 C41 122(3) . . ?
C6 C5 H5 120.0 . . ?
C6 C5 C10 120.0 . . ?
C10 C5 H5 120.0 . . ?
C5 C6 H6 120.0 . . ?
C7 C6 C5 120.0 . . ?
C7 C6 H6 120.0 . . ?
C6 C7 H7 120.0 . . ?
C8 C7 C6 120.0 . . ?
C8 C7 H7 120.0 . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C5 C10 P2 120.1(15) . . ?
C9 C10 P2 119.8(15) . . ?
C9 C10 C5 120.0 . . ?
O3 C11 C58 114(4) . . ?
O4 C11 O3 119(4) . . ?
O4 C11 C58 126(4) . . ?
C31 C12 C40 118(3) . . ?
C38 C12 C31 120(3) . . ?
C38 C12 C40 122(3) . . ?
C19 C13 P4 114(2) . . ?
C28 C13 P4 126(3) . . ?
C28 C13 C19 120(3) . . ?
C29 C14 C35 119(3) . . ?
C29 C14 C110 120(3) . . ?
C35 C14 C110 121(4) . . ?
C3 C15 H15 121.2 . . ?
C34 C15 C3 118(3) . . ?
C34 C15 H15 121.2 . . ?
C83 C16 H16 118.7 . . ?
C83 C16 C129 123(4) . . ?
C129 C16 H16 118.7 . . ?
C18 C17 H17 118.9 . . ?
C18 C17 C62 122(3) . . ?
C62 C17 H17 118.9 . . ?
C17 C18 H18 121.8 . . ?
C27 C18 C17 116(2) . . ?
C27 C18 H18 121.8 . . ?
C13 C19 H19 122.8 . . ?
C43 C19 C13 114(3) . . ?
C43 C19 H19 122.8 . . ?
C32 C20 H20 122.8 . . ?
C77 C20 H20 122.8 . . ?
C77 C20 C32 114(3) . . ?
C22 C21 H21 120.0 . . ?
C22 C21 C26 120.0 . . ?
C26 C21 H21 120.0 . . ?
C21 C22 H22 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C22 C23 H23 120.0 . . ?
C22 C23 C24 120.0 . . ?
C24 C23 H23 120.0 . . ?
C23 C24 H24 120.0 . . ?
C25 C24 C23 120.0 . . ?
C25 C24 H24 120.0 . . ?
C24 C25 H25 120.0 . . ?
C26 C25 C24 120.0 . . ?
C26 C25 H25 120.0 . . ?
C21 C26 P5 121.7(11) . . ?
C25 C26 P5 118.2(11) . . ?
C25 C26 C21 120.0 . . ?
C18 C27 C41 123(2) . . ?
C18 C27 C51 116(2) . . ?
C41 C27 C51 121(2) . . ?
C13 C28 H28 118.9 . . ?
C13 C28 C78 122(3) . . ?
C78 C28 H28 118.9 . . ?
C14 C29 C36 123(3) . . ?
C14 C29 C112 118(3) . . ?
C112 C29 C36 119(4) . . ?
C53 C30 C55 120(3) . . ?
C102 C30 C53 118(3) . . ?
C102 C30 C55 122(4) . . ?
C12 C31 S1 124(2) . . ?
C44 C31 S1 117(2) . . ?
C44 C31 C12 119(2) . . ?
C20 C32 P4 117(2) . . ?
C56 C32 P4 120(2) . . ?
C56 C32 C20 123(3) . . ?
C59 C33 P1 120(2) . . ?
C59 C33 C127 118(3) . . ?
C127 C33 P1 120(2) . . ?
C15 C34 H34 118.5 . . ?
C15 C34 C57 123(3) . . ?
C57 C34 H34 118.5 . . ?
C14 C35 H35 120.1 . . ?
C97 C35 C14 120(4) . . ?
C97 C35 H35 120.1 . . ?
C29 C36 C84 121(3) . . ?
C70 C36 C29 119(4) . . ?
C70 C36 C84 120(4) . . ?
C43 C37 H37 119.7 . . ?
C78 C37 H37 119.7 . . ?
C78 C37 C43 121(3) . . ?
C12 C38 H38 119.1 . . ?
C12 C38 C103 122(3) . . ?
C103 C38 H38 119.1 . . ?
C95 C39 H39 120.2 . . ?
C107 C39 H39 120.2 . . ?
C107 C39 C95 120(4) . . ?
O1 C40 O2 126(3) . . ?
O1 C40 C12 126(3) . . ?
O2 C40 C12 108(3) . . ?
C4 C41 C27 120(2) . . ?
C4 C41 C42 121(3) . . ?
C27 C41 C42 119(3) . . ?
C41 C42 H42 120.5 . . ?
C62 C42 C41 119(3) . . ?
C62 C42 H42 120.5 . . ?
C19 C43 H43 119.1 . . ?
C37 C43 C19 122(3) . . ?
C37 C43 H43 119.1 . . ?
C31 C44 H44 121.7 . . ?
C81 C44 C31 117(3) . . ?
C81 C44 H44 121.7 . . ?
C58 C45 S2 120(2) . . ?
C104 C45 S2 121(2) . . ?
C104 C45 C58 119(3) . . ?
C47 C46 C107 122(3) . . ?
C47 C46 C140 125(3) . . ?
C140 C46 C107 113(3) . . ?
C46 C47 C48 117(3) . . ?
C46 C47 C84 121(3) . . ?
C84 C47 C48 121(3) . . ?
C47 C48 H48 119.3 . . ?
C49 C48 C47 121(4) . . ?
C49 C48 H48 119.3 . . ?
C48 C49 H49 121.0 . . ?
C48 C49 C50 118(4) . . ?
C50 C49 H49 121.0 . . ?
C49 C50 H50 119.4 . . ?
C140 C50 C49 121(3) . . ?
C140 C50 H50 119.4 . . ?
C59 C51 C27 123(2) . . ?
C86 C51 C27 115(2) . . ?
C86 C51 C59 122(3) . . ?
C94 C52 H52 119.0 . . ?
C94 C52 C113 122(4) . . ?
C113 C52 H52 119.0 . . ?
C85 C53 C30 122(3) . . ?
C111 C53 C30 120(3) . . ?
C111 C53 C85 118(3) . . ?
C1 C54 P4 126(3) . . ?
C1 C54 C83 123(4) . . ?
C83 C54 P4 111(3) . . ?
C1 C55 C30 118(3) . . ?
C1 C55 C99 124(3) . . ?
C99 C55 C30 117(4) . . ?
C32 C56 H56 124.2 . . ?
C32 C56 C82 112(3) . . ?
C82 C56 H56 124.2 . . ?
C34 C57 H57 120.3 . . ?
C34 C57 C80 119(2) . . ?
C80 C57 H57 120.3 . . ?
C45 C58 C11 126(3) . . ?
C45 C58 C139 118(3) . . ?
C139 C58 C11 113(3) . . ?
C33 C59 C51 124(3) . . ?
C122 C59 C33 118(3) . . ?
C122 C59 C51 117(3) . . ?
C94 C60 P1 118(2) . . ?
C94 C60 C141 121(4) . . ?
C141 C60 P1 121(3) . . ?
C63 C61 P6 125(3) . . ?
C63 C61 C148 119(3) . . ?
C148 C61 P6 115(3) . . ?
C17 C62 H62 119.7 . . ?
C42 C62 C17 121(3) . . ?
C42 C62 H62 119.7 . . ?
C61 C63 H63 118.4 . . ?
C61 C63 C98 123(3) . . ?
C98 C63 H63 118.4 . . ?
C65 C64 H64 120.0 . . ?
C65 C64 C69 120.0 . . ?
C69 C64 H64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C66 C65 C64 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 H66 120.0 . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C66 C67 P3 122.2(16) . . ?
C66 C67 C68 120.0 . . ?
C68 C67 P3 117.7(16) . . ?
C67 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C64 C69 H69 120.0 . . ?
C68 C69 C64 120.0 . . ?
C68 C69 H69 120.0 . . ?
C36 C70 P6 130(3) . . ?
C36 C70 C97 118(3) . . ?
C97 C70 P6 111(2) . . ?
C72 C71 P5 120.5(12) . . ?
C72 C71 C76 120.0 . . ?
C76 C71 P5 119.5(12) . . ?
C71 C72 H72 120.0 . . ?
C71 C72 C73 120.0 . . ?
C73 C72 H72 120.0 . . ?
C72 C73 H73 120.0 . . ?
C74 C73 C72 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C74 H74 120.0 . . ?
C73 C74 C75 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 H75 120.0 . . ?
C74 C75 C76 120.0 . . ?
C76 C75 H75 120.0 . . ?
C71 C76 H76 120.0 . . ?
C75 C76 C71 120.0 . . ?
C75 C76 H76 120.0 . . ?
C20 C77 H77 115.4 . . ?
C79 C77 C20 129(3) . . ?
C79 C77 H77 115.4 . . ?
C28 C78 H78 119.6 . . ?
C37 C78 C28 121(3) . . ?
C37 C78 H78 119.6 . . ?
C77 C79 H79 124.6 . . ?
C82 C79 C77 111(3) . . ?
C82 C79 H79 124.6 . . ?
C2 C80 C57 120(3) . . ?
C2 C80 H80 120.0 . . ?
C57 C80 H80 120.0 . . ?
C44 C81 H81 118.9 . . ?
C103 C81 C44 122(3) . . ?
C103 C81 H81 118.9 . . ?
C56 C82 H82 114.6 . . ?
C79 C82 C56 131(3) . . ?
C79 C82 H82 114.6 . . ?
C16 C83 C54 116(4) . . ?
C16 C83 H83 122.1 . . ?
C54 C83 H83 122.1 . . ?
C47 C84 C36 121(3) . . ?
C95 C84 C36 120(3) . . ?
C95 C84 C47 119(3) . . ?
C53 C85 H85 121.5 . . ?
C101 C85 C53 117(4) . . ?
C101 C85 H85 121.5 . . ?
C51 C86 P2 120(2) . . ?
C93 C86 P2 119(2) . . ?
C93 C86 C51 120(3) . . ?
C88 C87 H87 120.0 . . ?
C88 C87 C92 120.0 . . ?
C92 C87 H87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C89 C88 C87 120.0 . . ?
C89 C88 H88 120.0 . . ?
C88 C89 H89 120.0 . . ?
C90 C89 C88 120.0 . . ?
C90 C89 H89 120.0 . . ?
C89 C90 H90 120.0 . . ?
C89 C90 C91 120.0 . . ?
C91 C90 H90 120.0 . . ?
C90 C91 H91 120.0 . . ?
C92 C91 C90 120.0 . . ?
C92 C91 H91 120.0 . . ?
C87 C92 P6 120.0(15) . . ?
C91 C92 P6 119.5(15) . . ?
C91 C92 C87 120.0 . . ?
C4 C93 C86 121(3) . . ?
C4 C93 H93 119.4 . . ?
C86 C93 H93 119.4 . . ?
C52 C94 C60 119(4) . . ?
C52 C94 H94 120.6 . . ?
C60 C94 H94 120.6 . . ?
C39 C95 P5 118(2) . . ?
C84 C95 P5 123(3) . . ?
C84 C95 C39 119(3) . . ?
C105 C96 H96 117.6 . . ?
C148 C96 H96 117.6 . . ?
C148 C96 C105 125(3) . . ?
C35 C97 C70 121(3) . . ?
C35 C97 H97 119.7 . . ?
C70 C97 H97 119.7 . . ?
C63 C98 H98 120.5 . . ?
C105 C98 C63 119(4) . . ?
C105 C98 H98 120.5 . . ?
C55 C99 P3 121(3) . . ?
C55 C99 C106 119(4) . . ?
C106 C99 P3 120(2) . . ?
C101 C100 H100 120.3 . . ?
C101 C100 C102 119(4) . . ?
C102 C100 H100 120.3 . . ?
C85 C101 C100 123(4) . . ?
C85 C101 H101 118.7 . . ?
C100 C101 H101 118.7 . . ?
C30 C102 C100 119(4) . . ?
C30 C102 H102 120.3 . . ?
C100 C102 H102 120.3 . . ?
C38 C103 H103 120.2 . . ?
C81 C103 C38 120(2) . . ?
C81 C103 H103 120.2 . . ?
C45 C104 H104 117.8 . . ?
C45 C104 C114 124(3) . . ?
C114 C104 H104 117.8 . . ?
C96 C105 H105 120.4 . . ?
C98 C105 C96 119(3) . . ?
C98 C105 H105 120.4 . . ?
C99 C106 H106 117.0 . . ?
C111 C106 C99 126(4) . . ?
C111 C106 H106 117.0 . . ?
C39 C107 C46 119(4) . . ?
C39 C107 H107 120.7 . . ?
C46 C107 H107 120.7 . . ?
C109 C108 H108 122.4 . . ?
C112 C108 H108 122.4 . . ?
C112 C108 C109 115(3) . . ?
C108 C109 H109 115.4 . . ?
C110 C109 C108 129(4) . . ?
C110 C109 H109 115.4 . . ?
C14 C110 H110 123.8 . . ?
C109 C110 C14 112(4) . . ?
C109 C110 H110 123.8 . . ?
C53 C111 C106 118(3) . . ?
C53 C111 H111 121.0 . . ?
C106 C111 H111 121.0 . . ?
C29 C112 H112 117.6 . . ?
C108 C112 C29 125(4) . . ?
C108 C112 H112 117.6 . . ?
C52 C113 H113 121.2 . . ?
C142 C113 C52 118(4) . . ?
C142 C113 H113 121.2 . . ?
C104 C114 H114 122.5 . . ?
C104 C114 C138 115(3) . . ?
C138 C114 H114 122.5 . . ?
C116 C115 H115 120.0 . . ?
C116 C115 C120 120.0 . . ?
C120 C115 H115 120.0 . . ?
C115 C116 H116 120.0 . . ?
C117 C116 C115 120.0 . . ?
C117 C116 H116 120.0 . . ?
C116 C117 P3 117.6(14) . . ?
C116 C117 C118 120.0 . . ?
C118 C117 P3 121.9(15) . . ?
C117 C118 H118 120.0 . . ?
C117 C118 C119 120.0 . . ?
C119 C118 H118 120.0 . . ?
C118 C119 H119 120.0 . . ?
C118 C119 C120 120.0 . . ?
C120 C119 H119 120.0 . . ?
C115 C120 H120 120.0 . . ?
C119 C120 C115 120.0 . . ?
C119 C120 H120 120.0 . . ?
C122 C121 H121 109.7 . . ?
C126 C121 H121 109.7 . . ?
C126 C121 C122 141(3) . . ?
C121 C122 C59 124(3) . . ?
C123 C122 C59 127(3) . . ?
C123 C122 C121 109(3) . . ?
C122 C123 C124 123(3) . . ?
C128 C123 C122 110(3) . . ?
C128 C123 C124 126(3) . . ?
C123 C124 H124 122.4 . . ?
C125 C124 C123 115(3) . . ?
C125 C124 H124 122.4 . . ?
C124 C125 H125 113.7 . . ?
C124 C125 C126 133(4) . . ?
C126 C125 H125 113.7 . . ?
C121 C126 C125 100(3) . . ?
C121 C126 H126 130.1 . . ?
C125 C126 H126 130.1 . . ?
C33 C127 H127 120.4 . . ?
C128 C127 C33 119(3) . . ?
C128 C127 H127 120.4 . . ?
C123 C128 C127 127(3) . . ?
C123 C128 H128 116.7 . . ?
C127 C128 H128 116.7 . . ?
C130 C129 C16 125(3) . . ?
C143 C129 C16 115(3) . . ?
C143 C129 C130 121(4) . . ?
C129 C130 C1 116(3) . . ?
C129 C130 C131 122(4) . . ?
C131 C130 C1 122(3) . . ?
C130 C131 H131 124.6 . . ?
C145 C131 C130 111(4) . . ?
C145 C131 H131 124.6 . . ?
C133 C132 H132 120.0 . . ?
C133 C132 C137 120.0 . . ?
C137 C132 H132 120.0 . . ?
C132 C133 H133 120.0 . . ?
C134 C133 C132 120.0 . . ?
C134 C133 H133 120.0 . . ?
C133 C134 H134 120.0 . . ?
C133 C134 C135 120.0 . . ?
C135 C134 H134 120.0 . . ?
C134 C135 H135 120.0 . . ?
C136 C135 C134 120.0 . . ?
C136 C135 H135 120.0 . . ?
C135 C136 H136 120.0 . . ?
C135 C136 C137 120.0 . . ?
C137 C136 H136 120.0 . . ?
C132 C137 P1 128.1(19) . . ?
C136 C137 P1 112(2) . . ?
C136 C137 C132 120.0 . . ?
C114 C138 H138 119.9 . . ?
C114 C138 C139 120(3) . . ?
C139 C138 H138 119.9 . . ?
C58 C139 C138 120(3) . . ?
C58 C139 H139 120.0 . . ?
C138 C139 H139 120.0 . . ?
C46 C140 H140 121.5 . . ?
C50 C140 C46 117(3) . . ?
C50 C140 H140 121.5 . . ?
C60 C141 H141 121.0 . . ?
C142 C141 C60 118(4) . . ?
C142 C141 H141 121.0 . . ?
C113 C142 H142 118.6 . . ?
C141 C142 C113 123(4) . . ?
C141 C142 H142 118.6 . . ?
C129 C143 H143 119.1 . . ?
C144 C143 C129 122(4) . . ?
C144 C143 H143 119.1 . . ?
C143 C144 H144 123.6 . . ?
C143 C144 C145 113(4) . . ?
C145 C144 H144 123.6 . . ?
C131 C145 C144 131(4) . . ?
C131 C145 H145 114.5 . . ?
C144 C145 H145 114.5 . . ?
C61 C148 H148 123.1 . . ?
C96 C148 C61 114(3) . . ?
C96 C148 H148 123.1 . . ?
C146 O7 H7A 108.0 . . ?
O5 C146 O7 121(3) . . ?
O6 C146 O5 122(3) . . ?
O6 C146 O7 117(3) . . ?
C147 O9 H9A 107.6 . . ?
O8 C147 O9 125(3) . . ?
O10 C147 O8 118(3) . . ?
O10 C147 O9 117(4) . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au1 S1 C31 C12 76(3) . . . . ?
Au1 S1 C31 C44 -106(2) . . . . ?
Au1 P1 C33 C59 -32(3) . . . . ?
Au1 P1 C33 C127 166(2) . . . . ?
Au1 P1 C60 C94 5(4) . . . . ?
Au1 P1 C60 C141 -176(3) . . . . ?
Au1 P1 C137 C132 -96.6(17) . . . . ?
Au1 P1 C137 C136 77.5(14) . . . . ?
Au2 P2 C2 C3 -42(2) . . . . ?
Au2 P2 C2 C80 136(2) . . . . ?
Au2 P2 C10 C5 0.1(13) . . . . ?
Au2 P2 C10 C9 176.6(8) . . . . ?
Au2 P2 C86 C51 -74(3) . . . . ?
Au2 P2 C86 C93 100(2) . . . . ?
Au3 P3 C67 C66 140.9(12) . . . . ?
Au3 P3 C67 C68 -35.1(14) . . . . ?
Au3 P3 C99 C55 -53(4) . . . . ?
Au3 P3 C99 C106 128(3) . . . . ?
Au4 S2 C45 C58 122(5) . . . . ?
Au4 S2 C45 C104 -63(5) . . . . ?
Au5 P4 C13 C19 37(2) . . . . ?
Au5 P4 C13 C28 -152(3) . . . . ?
Au5 P4 C32 C20 -144(2) . . . . ?
Au5 P4 C32 C56 30(3) . . . . ?
Au5 P4 C54 C1 -116(3) . . . . ?
Au5 P4 C54 C83 67(3) . . . . ?
Au6 S1 C31 C12 -173(2) . . . . ?
Au6 S1 C31 C44 6(3) . . . . ?
Au7 S2 C45 C58 -141(5) . . . . ?
Au7 S2 C45 C104 33(5) . . . . ?
Au7 P6 C61 C63 -150(3) . . . . ?
Au7 P6 C61 C148 22(3) . . . . ?
Au7 P6 C70 C36 -93(3) . . . . ?
Au7 P6 C70 C97 80(3) . . . . ?
Au7 P6 C92 C87 -158.5(11) . . . . ?
Au7 P6 C92 C91 14.0(15) . . . . ?
Au8 P5 C26 C21 163.6(11) . . . . ?
Au8 P5 C26 C25 -20.0(15) . . . . ?
Au8 P5 C71 C72 157.6(11) . . . . ?
Au8 P5 C71 C76 -22.4(14) . . . . ?
Au8 P5 C95 C39 140(2) . . . . ?
Au8 P5 C95 C84 -43(3) . . . . ?
S1 C31 C44 C81 -178(2) . . . . ?
S2 C45 C58 C11 8(9) . . . . ?
S2 C45 C58 C139 166(4) . . . . ?
S2 C45 C104 C114 176(5) . . . . ?
P1 C33 C59 C51 9(4) . . . . ?
P1 C33 C59 C122 -163(2) . . . . ?
P1 C33 C127 C128 169(2) . . . . ?
P1 C60 C94 C52 177(3) . . . . ?
P1 C60 C141 C142 -178(3) . . . . ?
P2 C2 C3 C15 176(2) . . . . ?
P2 C2 C80 C57 -179(2) . . . . ?
P2 C86 C93 C4 -167(3) . . . . ?
P3 C67 C68 C69 176.1(19) . . . . ?
P3 C99 C106 C111 173(3) . . . . ?
P3 C117 C118 C119 172(2) . . . . ?
P4 C13 C19 C43 178(2) . . . . ?
P4 C13 C28 C78 -177(2) . . . . ?
P4 C32 C56 C82 -176(2) . . . . ?
P4 C54 C83 C16 177(3) . . . . ?
P5 C71 C72 C73 -179.9(18) . . . . ?
P5 C71 C76 C75 179.9(18) . . . . ?
P6 C61 C63 C98 -178(3) . . . . ?
P6 C61 C148 C96 -180(3) . . . . ?
P6 C70 C97 C35 -179(3) . . . . ?
O3 C11 C58 C45 -141(6) . . . . ?
O3 C11 C58 C139 59(7) . . . . ?
O4 C11 C58 C45 29(10) . . . . ?
O4 C11 C58 C139 -130(6) . . . . ?
C1 C54 C83 C16 -1(6) . . . . ?
C1 C55 C99 P3 -4(6) . . . . ?
C1 C55 C99 C106 176(4) . . . . ?
C1 C130 C131 C145 -172(4) . . . . ?
C2 P2 C10 C5 118.6(14) . . . . ?
C2 P2 C10 C9 -64.9(15) . . . . ?
C2 P2 C86 C51 169(3) . . . . ?
C2 P2 C86 C93 -17(3) . . . . ?
C2 C3 C15 C34 8(4) . . . . ?
C3 C2 C80 C57 -2(4) . . . . ?
C3 C15 C34 C57 -11(4) . . . . ?
C4 C41 C42 C62 176(3) . . . . ?
C5 C6 C7 C8 0.0 . . . . ?
C6 C5 C10 P2 176.4(15) . . . . ?
C6 C5 C10 C9 0.0 . . . . ?
C6 C7 C8 C9 0.0 . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C9 C10 P2 -176.5(15) . . . . ?
C8 C9 C10 C5 0.0 . . . . ?
C10 P2 C2 C3 -167(2) . . . . ?
C10 P2 C2 C80 11(3) . . . . ?
C10 P2 C86 C51 57(3) . . . . ?
C10 P2 C86 C93 -130(2) . . . . ?
C10 C5 C6 C7 0.0 . . . . ?
C11 C58 C139 C138 176(5) . . . . ?
C12 C31 C44 C81 1(5) . . . . ?
C12 C38 C103 C81 -2(5) . . . . ?
C13 P4 C32 C20 -25(3) . . . . ?
C13 P4 C32 C56 149(3) . . . . ?
C13 P4 C54 C1 127(4) . . . . ?
C13 P4 C54 C83 -50(3) . . . . ?
C13 C19 C43 C37 -2(4) . . . . ?
C13 C28 C78 C37 1(5) . . . . ?
C14 C29 C36 C70 2(6) . . . . ?
C14 C29 C36 C84 -179(3) . . . . ?
C14 C29 C112 C108 -10(6) . . . . ?
C14 C35 C97 C70 2(5) . . . . ?
C15 C34 C57 C80 8(4) . . . . ?
C16 C129 C130 C1 -4(6) . . . . ?
C16 C129 C130 C131 176(4) . . . . ?
C16 C129 C143 C144 -178(4) . . . . ?
C17 C18 C27 C41 -2(5) . . . . ?
C17 C18 C27 C51 180(3) . . . . ?
C18 C17 C62 C42 0(5) . . . . ?
C18 C27 C41 C4 -178(3) . . . . ?
C18 C27 C41 C42 6(5) . . . . ?
C18 C27 C51 C59 6(5) . . . . ?
C18 C27 C51 C86 180(3) . . . . ?
C19 C13 C28 C78 -6(5) . . . . ?
C20 C32 C56 C82 -3(5) . . . . ?
C20 C77 C79 C82 -6(5) . . . . ?
C21 C22 C23 C24 0.0 . . . . ?
C22 C21 C26 P5 176.4(19) . . . . ?
C22 C21 C26 C25 0.0 . . . . ?
C22 C23 C24 C25 0.0 . . . . ?
C23 C24 C25 C26 0.0 . . . . ?
C24 C25 C26 P5 -176.5(18) . . . . ?
C24 C25 C26 C21 0.0 . . . . ?
C26 P5 C71 C72 36.3(16) . . . . ?
C26 P5 C71 C76 -143.6(13) . . . . ?
C26 P5 C95 C39 -97(3) . . . . ?
C26 P5 C95 C84 80(3) . . . . ?
C26 C21 C22 C23 0.0 . . . . ?
C27 C41 C42 C62 -8(5) . . . . ?
C27 C51 C59 C33 -93(4) . . . . ?
C27 C51 C59 C122 78(4) . . . . ?
C27 C51 C86 P2 169(2) . . . . ?
C27 C51 C86 C93 -5(5) . . . . ?
C28 C13 C19 C43 6(4) . . . . ?
C29 C14 C35 C97 4(5) . . . . ?
C29 C14 C110 C109 -4(5) . . . . ?
C29 C36 C70 P6 176(3) . . . . ?
C29 C36 C70 C97 3(5) . . . . ?
C29 C36 C84 C47 88(4) . . . . ?
C29 C36 C84 C95 -91(4) . . . . ?
C30 C53 C85 C101 -1(6) . . . . ?
C30 C53 C111 C106 -6(6) . . . . ?
C30 C55 C99 P3 -172(3) . . . . ?
C30 C55 C99 C106 7(5) . . . . ?
C31 C12 C38 C103 5(5) . . . . ?
C31 C12 C40 O1 -23(5) . . . . ?
C31 C12 C40 O2 155(3) . . . . ?
C31 C44 C81 C103 3(5) . . . . ?
C32 P4 C13 C19 -84(2) . . . . ?
C32 P4 C13 C28 87(3) . . . . ?
C32 P4 C54 C1 14(4) . . . . ?
C32 P4 C54 C83 -163(2) . . . . ?
C32 C20 C77 C79 1(5) . . . . ?
C32 C56 C82 C79 -2(5) . . . . ?
C33 P1 C60 C94 -124(4) . . . . ?
C33 P1 C60 C141 55(4) . . . . ?
C33 P1 C137 C132 28.2(18) . . . . ?
C33 P1 C137 C136 -157.7(15) . . . . ?
C33 C59 C122 C121 170(3) . . . . ?
C33 C59 C122 C123 -7(5) . . . . ?
C33 C127 C128 C123 -7(5) . . . . ?
C34 C57 C80 C2 -1(4) . . . . ?
C35 C14 C29 C36 -6(6) . . . . ?
C35 C14 C29 C112 -180(3) . . . . ?
C35 C14 C110 C109 -176(3) . . . . ?
C36 C29 C112 C108 176(4) . . . . ?
C36 C70 C97 C35 -5(5) . . . . ?
C36 C84 C95 P5 8(5) . . . . ?
C36 C84 C95 C39 -175(3) . . . . ?
C38 C12 C31 S1 174(3) . . . . ?
C38 C12 C31 C44 -5(5) . . . . ?
C38 C12 C40 O1 157(3) . . . . ?
C38 C12 C40 O2 -25(4) . . . . ?
C40 C12 C31 S1 -6(4) . . . . ?
C40 C12 C31 C44 175(3) . . . . ?
C40 C12 C38 C103 -175(3) . . . . ?
C41 C4 C93 C86 -5(5) . . . . ?
C41 C27 C51 C59 -173(3) . . . . ?
C41 C27 C51 C86 1(5) . . . . ?
C41 C42 C62 C17 4(5) . . . . ?
C43 C37 C78 C28 3(5) . . . . ?
C44 C81 C103 C38 -3(5) . . . . ?
C45 C58 C139 C138 15(9) . . . . ?
C45 C104 C114 C138 20(9) . . . . ?
C46 C47 C48 C49 -5(5) . . . . ?
C46 C47 C84 C36 179(3) . . . . ?
C46 C47 C84 C95 -3(5) . . . . ?
C47 C46 C107 C39 4(5) . . . . ?
C47 C46 C140 C50 2(6) . . . . ?
C47 C48 C49 C50 1(5) . . . . ?
C47 C84 C95 P5 -171(3) . . . . ?
C47 C84 C95 C39 7(5) . . . . ?
C48 C47 C84 C36 -8(5) . . . . ?
C48 C47 C84 C95 170(3) . . . . ?
C48 C49 C50 C140 4(5) . . . . ?
C49 C50 C140 C46 -6(5) . . . . ?
C51 C27 C41 C4 1(5) . . . . ?
C51 C27 C41 C42 -175(3) . . . . ?
C51 C59 C122 C121 -2(5) . . . . ?
C51 C59 C122 C123 -178(3) . . . . ?
C51 C86 C93 C4 7(5) . . . . ?
C52 C113 C142 C141 -5(7) . . . . ?
C53 C30 C55 C1 -178(4) . . . . ?
C53 C30 C55 C99 -9(5) . . . . ?
C53 C30 C102 C100 2(6) . . . . ?
C53 C85 C101 C100 -7(6) . . . . ?
C54 P4 C13 C19 158(2) . . . . ?
C54 P4 C13 C28 -31(3) . . . . ?
C54 P4 C32 C20 85(3) . . . . ?
C54 P4 C32 C56 -101(3) . . . . ?
C54 C1 C55 C30 -105(5) . . . . ?
C54 C1 C55 C99 87(5) . . . . ?
C54 C1 C130 C129 -1(5) . . . . ?
C54 C1 C130 C131 179(4) . . . . ?
C55 C1 C54 P4 10(6) . . . . ?
C55 C1 C54 C83 -174(4) . . . . ?
C55 C1 C130 C129 176(4) . . . . ?
C55 C1 C130 C131 -4(6) . . . . ?
C55 C30 C53 C85 -175(4) . . . . ?
C55 C30 C53 C111 8(6) . . . . ?
C55 C30 C102 C100 180(3) . . . . ?
C55 C99 C106 C111 -6(6) . . . . ?
C58 C45 C104 C114 -10(10) . . . . ?
C59 C33 C127 C128 6(4) . . . . ?
C59 C51 C86 P2 -18(4) . . . . ?
C59 C51 C86 C93 169(3) . . . . ?
C59 C122 C123 C124 178(3) . . . . ?
C59 C122 C123 C128 6(5) . . . . ?
C60 P1 C33 C59 92(3) . . . . ?
C60 P1 C33 C127 -70(3) . . . . ?
C60 P1 C137 C132 134(2) . . . . ?
C60 P1 C137 C136 -52(2) . . . . ?
C60 C141 C142 C113 3(7) . . . . ?
C61 P6 C70 C36 144(3) . . . . ?
C61 P6 C70 C97 -43(3) . . . . ?
C61 P6 C92 C87 -36.8(18) . . . . ?
C61 P6 C92 C91 135.7(16) . . . . ?
C61 C63 C98 C105 -6(6) . . . . ?
C62 C17 C18 C27 -2(5) . . . . ?
C63 C61 C148 C96 -7(5) . . . . ?
C63 C98 C105 C96 -1(5) . . . . ?
C64 C65 C66 C67 0.0 . . . . ?
C65 C64 C69 C68 0.0 . . . . ?
C65 C66 C67 P3 -175.9(19) . . . . ?
C65 C66 C67 C68 0.0 . . . . ?
C66 C67 C68 C69 0.0 . . . . ?
C67 P3 C99 C55 -171(3) . . . . ?
C67 P3 C99 C106 10(4) . . . . ?
C67 C68 C69 C64 0.0 . . . . ?
C69 C64 C65 C66 0.0 . . . . ?
C70 P6 C61 C63 -25(4) . . . . ?
C70 P6 C61 C148 147(3) . . . . ?
C70 P6 C92 C87 73.7(18) . . . . ?
C70 P6 C92 C91 -113.8(17) . . . . ?
C70 C36 C84 C47 -94(4) . . . . ?
C70 C36 C84 C95 87(4) . . . . ?
C71 P5 C26 C21 -76.4(16) . . . . ?
C71 P5 C26 C25 100.0(15) . . . . ?
C71 P5 C95 C39 14(3) . . . . ?
C71 P5 C95 C84 -168(3) . . . . ?
C71 C72 C73 C74 0.0 . . . . ?
C72 C71 C76 C75 0.0 . . . . ?
C72 C73 C74 C75 0.0 . . . . ?
C73 C74 C75 C76 0.0 . . . . ?
C74 C75 C76 C71 0.0 . . . . ?
C76 C71 C72 C73 0.0 . . . . ?
C77 C20 C32 P4 177(2) . . . . ?
C77 C20 C32 C56 4(5) . . . . ?
C77 C79 C82 C56 6(5) . . . . ?
C78 C37 C43 C19 -2(5) . . . . ?
C80 C2 C3 C15 -2(4) . . . . ?
C83 C16 C129 C130 6(7) . . . . ?
C83 C16 C129 C143 -171(4) . . . . ?
C84 C36 C70 P6 -2(5) . . . . ?
C84 C36 C70 C97 -175(3) . . . . ?
C84 C47 C48 C49 -178(3) . . . . ?
C85 C53 C111 C106 176(4) . . . . ?
C86 P2 C2 C3 80(2) . . . . ?
C86 P2 C2 C80 -102(3) . . . . ?
C86 P2 C10 C5 -128.8(15) . . . . ?
C86 P2 C10 C9 47.6(17) . . . . ?
C86 C51 C59 C33 94(4) . . . . ?
C86 C51 C59 C122 -95(4) . . . . ?
C87 C88 C89 C90 0.0 . . . . ?
C88 C87 C92 P6 172.5(18) . . . . ?
C88 C87 C92 C91 0.0 . . . . ?
C88 C89 C90 C91 0.0 . . . . ?
C89 C90 C91 C92 0.0 . . . . ?
C90 C91 C92 P6 -172.5(17) . . . . ?
C90 C91 C92 C87 0.0 . . . . ?
C92 P6 C61 C63 88(3) . . . . ?
C92 P6 C61 C148 -100(3) . . . . ?
C92 P6 C70 C36 34(4) . . . . ?
C92 P6 C70 C97 -153(2) . . . . ?
C92 C87 C88 C89 0.0 . . . . ?
C93 C4 C41 C27 1(5) . . . . ?
C93 C4 C41 C42 177(3) . . . . ?
C94 C52 C113 C142 4(7) . . . . ?
C94 C60 C141 C142 1(7) . . . . ?
C95 P5 C26 C21 36.1(19) . . . . ?
C95 P5 C26 C25 -147.5(16) . . . . ?
C95 P5 C71 C72 -71.5(18) . . . . ?
C95 P5 C71 C76 108.6(16) . . . . ?
C95 C39 C107 C46 0(5) . . . . ?
C99 P3 C67 C66 -92.4(18) . . . . ?
C99 P3 C67 C68 91.7(17) . . . . ?
C99 C106 C111 C53 5(6) . . . . ?
C101 C100 C102 C30 -9(6) . . . . ?
C102 C30 C53 C85 4(6) . . . . ?
C102 C30 C53 C111 -173(4) . . . . ?
C102 C30 C55 C1 4(6) . . . . ?
C102 C30 C55 C99 173(4) . . . . ?
C102 C100 C101 C85 12(6) . . . . ?
C104 C45 C58 C11 -167(6) . . . . ?
C104 C45 C58 C139 -9(9) . . . . ?
C104 C114 C138 C139 -13(9) . . . . ?
C105 C96 C148 C61 1(5) . . . . ?
C107 C39 C95 P5 172(3) . . . . ?
C107 C39 C95 C84 -6(5) . . . . ?
C107 C46 C47 C48 -176(3) . . . . ?
C107 C46 C47 C84 -3(6) . . . . ?
C107 C46 C140 C50 -179(3) . . . . ?
C108 C109 C110 C14 1(6) . . . . ?
C109 C108 C112 C29 6(6) . . . . ?
C110 C14 C29 C36 -178(3) . . . . ?
C110 C14 C29 C112 9(5) . . . . ?
C110 C14 C35 C97 176(3) . . . . ?
C111 C53 C85 C101 176(4) . . . . ?
C112 C29 C36 C70 176(3) . . . . ?
C112 C29 C36 C84 -6(5) . . . . ?
C112 C108 C109 C110 -1(6) . . . . ?
C113 C52 C94 C60 0(7) . . . . ?
C114 C138 C139 C58 -4(9) . . . . ?
C115 C116 C117 P3 -173(2) . . . . ?
C115 C116 C117 C118 0.0 . . . . ?
C116 C115 C120 C119 0.0 . . . . ?
C116 C117 C118 C119 0.0 . . . . ?
C117 P3 C67 C66 15.6(18) . . . . ?
C117 P3 C67 C68 -160.3(13) . . . . ?
C117 P3 C99 C55 75(3) . . . . ?
C117 P3 C99 C106 -105(3) . . . . ?
C117 C118 C119 C120 0.0 . . . . ?
C118 C119 C120 C115 0.0 . . . . ?
C120 C115 C116 C117 0.0 . . . . ?
C121 C122 C123 C124 1(4) . . . . ?
C121 C122 C123 C128 -171(3) . . . . ?
C122 C121 C126 C125 0(6) . . . . ?
C122 C123 C124 C125 3(5) . . . . ?
C122 C123 C128 C127 1(5) . . . . ?
C123 C124 C125 C126 -7(6) . . . . ?
C124 C123 C128 C127 -171(3) . . . . ?
C124 C125 C126 C121 5(5) . . . . ?
C126 C121 C122 C59 180(4) . . . . ?
C126 C121 C122 C123 -3(6) . . . . ?
C127 C33 C59 C51 171(3) . . . . ?
C127 C33 C59 C122 0(4) . . . . ?
C128 C123 C124 C125 173(3) . . . . ?
C129 C16 C83 C54 -4(6) . . . . ?
C129 C130 C131 C145 7(6) . . . . ?
C129 C143 C144 C145 -5(6) . . . . ?
C130 C1 C54 P4 -174(3) . . . . ?
C130 C1 C54 C83 3(6) . . . . ?
C130 C1 C55 C30 79(5) . . . . ?
C130 C1 C55 C99 -89(5) . . . . ?
C130 C129 C143 C144 5(6) . . . . ?
C130 C131 C145 C144 -9(7) . . . . ?
C132 C133 C134 C135 0.0 . . . . ?
C133 C132 C137 P1 174(2) . . . . ?
C133 C132 C137 C136 0.0 . . . . ?
C133 C134 C135 C136 0.0 . . . . ?
C134 C135 C136 C137 0.0 . . . . ?
C135 C136 C137 P1 -174.6(18) . . . . ?
C135 C136 C137 C132 0.0 . . . . ?
C137 P1 C33 C59 -153(3) . . . . ?
C137 P1 C33 C127 45(3) . . . . ?
C137 P1 C60 C94 136(4) . . . . ?
C137 P1 C60 C141 -45(4) . . . . ?
C137 C132 C133 C134 0.0 . . . . ?
C140 C46 C47 C48 3(6) . . . . ?
C140 C46 C47 C84 177(4) . . . . ?
C140 C46 C107 C39 -176(3) . . . . ?
C141 C60 C94 C52 -2(7) . . . . ?
C143 C129 C130 C1 174(4) . . . . ?
C143 C129 C130 C131 -6(6) . . . . ?
C143 C144 C145 C131 7(7) . . . . ?
C148 C61 C63 C98 10(5) . . . . ?
C148 C96 C105 C98 3(6) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.535 -0.597 -0.057 5311.1 1042.6 ?

_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 4.231
_oxdiff_exptl_absorpt_empirical_full_min 0.518
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_R_Au8e
_database_code_depnum_ccdc_archive 'CCDC 2179304'
loop_
_audit_author_name
_audit_author_address
'Di Sun'
;Shandong university
China
;
_audit_update_record             
;
2022-06-15 deposited with the CCDC.	2022-08-15 downloaded from the CCDC.
;
_audit_creation_date             2022-06-13
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C146 H104 Au8 O4 P6 S2'
_chemical_formula_sum            'C146 H104 Au8 O4 P6 S2'
_chemical_formula_weight         3747.96
_chemical_absolute_configuration syn
_chemical_melting_point          ?
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'
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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           19
_space_group_name_H-M_alt        'P 21 21 21'
_space_group_name_Hall           'P 2ac 2ab'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   20.333(5)
_cell_length_b                   25.812(5)
_cell_length_c                   26.048(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     13671(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9873
_cell_measurement_temperature    100
_cell_measurement_theta_max      70.031
_cell_measurement_theta_min      2.768
_shelx_estimated_absorpt_T_max   0.848
_shelx_estimated_absorpt_T_min   0.483
_exptl_absorpt_coefficient_mu    17.053
_exptl_absorpt_correction_T_max  0.3220
_exptl_absorpt_correction_T_min  0.1330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'clear light orange'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    1.821
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             7064
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0601
_diffrn_reflns_av_unetI/netI     0.0615
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            73670
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        67.070
_diffrn_reflns_theta_max         67.070
_diffrn_reflns_theta_min         3.246
_diffrn_ambient_temperature      100
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker SMART APEX2 area detector'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_current           1.1
_diffrn_source_power             0.055
_diffrn_source_type              'Incoatec I\ms'
_diffrn_source_voltage           50.0
_reflns_Friedel_coverage         0.825
_reflns_Friedel_fraction_full    0.962
_reflns_Friedel_fraction_max     0.962
_reflns_number_gt                22317
_reflns_number_total             23980
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine 1.3 (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_refine_diff_density_max         1.362
_refine_diff_density_min         -1.799
_refine_diff_density_rms         0.159
_refine_ls_abs_structure_details 
;
 Flack x determined using 9200 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.070(5)
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1495
_refine_ls_number_reflns         23980
_refine_ls_number_restraints     426
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0366
_refine_ls_restrained_S_all      1.050
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0448P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0903
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
O2 \\sim C69 \\sim O3 \\sim C137 \\sim C139 \\sim C17 \\sim C123 \\sim C119
\\sim C67 \\sim S2: within 2A with sigma of 0.004 and sigma for terminal atoms
of 0.008 within 2A
S1 \\sim C77 \\sim C86 \\sim C126 \\sim C52 \\sim C89 \\sim C75 \\sim C29 \\sim
O4 \\sim O1: within 2A with sigma of 0.004 and sigma for terminal atoms of
0.008 within 2A
C43 \\sim C20 \\sim C14 \\sim C48 \\sim C30 \\sim C132 \\sim C45 \\sim C101
\\sim C92 \\sim C106 \\sim C25 \\sim C50 \\sim C109 \\sim C5 \\sim C55 \\sim
C115 \\sim C22 \\sim C116 \\sim C70 \\sim C57 \\sim P4 \\sim C24 \\sim C114
\\sim C81 \\sim C66 \\sim C58 \\sim C62 \\sim C13 \\sim C83 \\sim C37 \\sim
C134 \\sim C144 \\sim P1 \\sim C76 \\sim C87 \\sim C95 \\sim C103 \\sim C120
\\sim C49 \\sim C91 \\sim C72 \\sim C51 \\sim C47 \\sim C39 \\sim C56: within
2A with sigma of 0.004 and sigma for terminal atoms of 0.008 within 2A
3.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C10(H10), C20(H20), C22(H22), C26(H26), C28(H28), C30(H30), C32(H32),
 C38(H38), C40(H40), C44(H44), C48(H48), C50(H50), C52(H52), C60(H60), C64(H64),
  C68(H68), C70(H70), C72(H72), C80(H80), C82(H82), C86(H86), C88(H88),
 C90(H90), C96(H96), C98(H98), C100(H100), C104(H104), C108(H108), C110(H110),
 C112(H112), C114(H114), C118(H118), C120(H120), C122(H122), C124(H124),
 C126(H126), C128(H128), C130(H130), C134(H134), C138(H138), C140(H140),
 C142(H142), C144(H144), C146(H146), C73(H73), C37(H37), C75(H75), C19(H19),
 C39(H39), C79(H79), C5(H5), C81(H81), C83(H83), C21(H21), C85(H85), C43(H43),
 C87(H87), C11(H11), C45(H45), C91(H91), C93(H93), C47(H47), C95(H95), C3(H3),
 C97(H97), C49(H49), C25(H25), C101(H101), C51(H51), C103(H103), C105(H105),
 C53(H53), C27(H27), C109(H109), C55(H55), C111(H111), C7(H7), C113(H113),
 C57(H57), C115(H115), C117(H117), C15(H15), C121(H121), C123(H123), C31(H31),
 C125(H125), C63(H63), C127(H127), C129(H129), C65(H65), C131(H131), C33(H33),
 C133(H133), C67(H67), C135(H135), C17(H17), C139(H139), C35(H35), C141(H141),
 C71(H71), C143(H143), C9(H9), C145(H145)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au02 Au 0.42359(2) 0.59961(2) 0.11593(2) 0.02235(12) Uani 1 1 d . . . . .
Au03 Au 0.29230(2) 0.61110(2) 0.12386(2) 0.02178(11) Uani 1 1 d . . . . .
Au04 Au 0.40790(2) 0.50587(2) 0.17798(2) 0.02348(12) Uani 1 1 d . . . . .
Au05 Au 0.36822(2) 0.60777(2) 0.20733(2) 0.02275(11) Uani 1 1 d . . . . .
Au06 Au 0.50462(2) 0.50514(2) 0.10696(2) 0.02395(12) Uani 1 1 d . . . . .
Au07 Au 0.46113(2) 0.54954(2) 0.29483(2) 0.02416(12) Uani 1 1 d . . . . .
Au08 Au 0.24534(2) 0.54643(2) 0.21131(2) 0.02340(11) Uani 1 1 d . . . . .
Au1 Au 0.51432(2) 0.56362(2) 0.19268(2) 0.02250(12) Uani 1 1 d . . . . .
S1 S 0.36805(14) 0.60202(12) 0.29874(12) 0.0257(6) Uani 1 1 d . U . . .
S2 S 0.30152(14) 0.46995(12) 0.18768(13) 0.0257(6) Uani 1 1 d . U . . .
P1 P 0.20019(14) 0.60677(13) 0.07325(12) 0.0230(6) Uani 1 1 d . U . . .
P4 P 0.18009(15) 0.61257(14) 0.23950(13) 0.0259(7) Uani 1 1 d . U . . .
P6 P 0.54095(16) 0.45904(13) 0.03738(13) 0.0249(7) Uani 1 1 d . . . . .
P3 P 0.46659(14) 0.61770(13) 0.03662(12) 0.0231(7) Uani 1 1 d . . . . .
P2 P 0.59273(15) 0.62046(13) 0.22504(13) 0.0247(7) Uani 1 1 d . . . . .
P5 P 0.53549(15) 0.48338(13) 0.29984(13) 0.0260(7) Uani 1 1 d . . . . .
C1 C 0.6770(5) 0.6035(5) 0.2094(5) 0.026(3) Uani 1 1 d . . . . .
C4 C 0.6668(6) 0.4547(5) 0.2882(6) 0.032(3) Uani 1 1 d . . . . .
H4 H 0.649830 0.422921 0.275525 0.039 Uiso 1 1 calc R U . . .
C6 C 0.6473(6) 0.5459(5) 0.3153(5) 0.027(3) Uani 1 1 d . . . . .
C8 C 0.6230(5) 0.4982(5) 0.2994(5) 0.026(3) Uani 1 1 d . . . . .
C10 C 0.5929(7) 0.6371(5) 0.0644(5) 0.026(3) Uani 1 1 d . . . . .
H10 H 0.570434 0.660444 0.086473 0.031 Uiso 1 1 calc R U . . .
C12 C 0.6579(6) 0.5677(5) -0.0009(4) 0.021(3) Uani 1 1 d . . . . .
C14 C 0.1210(6) 0.6194(5) 0.1040(5) 0.0277(17) Uani 1 1 d . U . . .
C16 C 0.5871(6) 0.5698(5) -0.0013(5) 0.024(3) Uani 1 1 d . . . . .
C18 C 0.4598(6) 0.6866(5) 0.0196(5) 0.025(3) Uani 1 1 d . . . . .
C20 C 0.0749(6) 0.5506(6) 0.2127(6) 0.035(2) Uani 1 1 d . U . . .
H20 H 0.107306 0.530625 0.195400 0.043 Uiso 1 1 calc R U . . .
C22 C 0.2125(7) 0.5866(6) 0.3402(5) 0.032(2) Uani 1 1 d . U . . .
H22 H 0.223837 0.553609 0.326625 0.039 Uiso 1 1 calc R U . . .
C24 C 0.1987(6) 0.6731(5) 0.2076(5) 0.0255(17) Uani 1 1 d . U . . .
C26 C 0.4919(8) 0.4503(7) 0.4486(6) 0.047(4) Uani 1 1 d . . . . .
H26 H 0.471522 0.467710 0.476546 0.057 Uiso 1 1 calc R U . . .
C28 C 0.4068(6) 0.6080(6) -0.0612(5) 0.030(3) Uani 1 1 d . . . . .
H28 H 0.431817 0.637120 -0.071805 0.036 Uiso 1 1 calc R U . . .
C30 C 0.0049(6) 0.6054(5) 0.1031(5) 0.030(2) Uani 1 1 d . U . . .
H30 H -0.031615 0.584451 0.093884 0.036 Uiso 1 1 calc R U . . .
C32 C 0.4906(6) 0.4568(6) -0.0633(5) 0.030(3) Uani 1 1 d . . . . .
H32 H 0.474574 0.423216 -0.055258 0.036 Uiso 1 1 calc R U . . .
C34 C 0.6933(6) 0.6001(5) 0.0345(5) 0.028(3) Uani 1 1 d . . . . .
C36 C 0.7167(6) 0.5498(6) 0.3256(5) 0.030(3) Uani 1 1 d . . . . .
C38 C 0.4059(6) 0.7141(5) 0.0413(5) 0.025(3) Uani 1 1 d . . . . .
H38 H 0.381065 0.700055 0.068889 0.031 Uiso 1 1 calc R U . . .
C40 C 0.5490(8) 0.7828(6) 0.1601(5) 0.035(3) Uani 1 1 d . . . . .
H40 H 0.538657 0.816800 0.148784 0.043 Uiso 1 1 calc R U . . .
C42 C 0.5866(5) 0.6295(4) 0.2944(5) 0.020(2) Uani 1 1 d . . . . .
C44 C 0.3612(7) 0.5862(5) -0.0931(5) 0.032(3) Uani 1 1 d . . . . .
H44 H 0.353149 0.601939 -0.125453 0.038 Uiso 1 1 calc R U . . .
C46 C 0.5532(6) 0.6415(5) 0.3987(5) 0.025(3) Uani 1 1 d . . . . .
C48 C 0.0661(6) 0.5918(5) 0.0864(5) 0.028(2) Uani 1 1 d . U . . .
H48 H 0.071471 0.563872 0.062998 0.033 Uiso 1 1 calc R U . . .
C50 C -0.0239(7) 0.7408(6) 0.1932(6) 0.041(2) Uani 1 1 d . U . . .
H50 H -0.030929 0.771777 0.212177 0.049 Uiso 1 1 calc R U . . .
C52 C 0.3849(7) 0.7625(6) 0.3702(6) 0.037(2) Uani 1 1 d . U . . .
H52 H 0.385129 0.796136 0.384898 0.044 Uiso 1 1 calc R U . . .
C54 C 0.5277(6) 0.4488(5) 0.3609(5) 0.028(3) Uani 1 1 d . . . . .
C56 C 0.1999(6) 0.6505(5) 0.0194(5) 0.0274(17) Uani 1 1 d . U . . .
C58 C 0.1710(6) 0.6906(5) 0.1602(5) 0.0266(17) Uani 1 1 d . U . . .
C60 C 0.7502(6) 0.5496(6) 0.1594(6) 0.035(3) Uani 1 1 d . . . . .
H60 H 0.757399 0.522373 0.135544 0.042 Uiso 1 1 calc R U . . .
C62 C 0.1135(6) 0.6616(5) 0.1387(5) 0.0287(18) Uani 1 1 d . U . . .
C64 C 0.5136(7) 0.6983(6) 0.1853(6) 0.034(3) Uani 1 1 d . . . . .
H64 H 0.479325 0.673959 0.190764 0.041 Uiso 1 1 calc R U . . .
C66 C 0.2473(7) 0.7631(5) 0.1589(5) 0.0305(18) Uani 1 1 d . U . . .
C68 C 0.7327(6) 0.4609(6) 0.2966(6) 0.034(3) Uani 1 1 d . . . . .
H68 H 0.761065 0.432578 0.289329 0.041 Uiso 1 1 calc R U . . .
C70 C 0.2165(7) 0.5957(6) 0.3917(6) 0.037(2) Uani 1 1 d . U . . .
H70 H 0.230172 0.568388 0.413677 0.044 Uiso 1 1 calc R U . . .
C72 C 0.2627(7) 0.6995(5) -0.0423(5) 0.032(2) Uani 1 1 d . U . . .
H72 H 0.304206 0.709413 -0.055946 0.039 Uiso 1 1 calc R U . . .
C74 C 0.5525(6) 0.5353(5) -0.0394(5) 0.028(3) Uani 1 1 d . . . . .
C76 C 0.1901(6) 0.5437(5) 0.0444(5) 0.0295(18) Uani 1 1 d . U . . .
C78 C 0.4157(6) 0.5861(5) -0.0122(5) 0.026(3) Uani 1 1 d . . . . .
C80 C 0.3913(7) 0.7615(5) 0.0211(6) 0.032(3) Uani 1 1 d . . . . .
H80 H 0.354956 0.780122 0.034640 0.039 Uiso 1 1 calc R U . . .
C82 C 0.7314(7) 0.6310(6) 0.2314(6) 0.034(3) Uani 1 1 d . . . . .
H82 H 0.724948 0.658752 0.254835 0.041 Uiso 1 1 calc R U . . .
C84 C 0.5899(6) 0.5964(5) 0.3829(6) 0.031(3) Uani 1 1 d . . . . .
C86 C 0.3949(6) 0.7077(5) 0.2978(6) 0.032(2) Uani 1 1 d . U . . .
H86 H 0.404800 0.703935 0.262368 0.038 Uiso 1 1 calc R U . . .
C88 C 0.4800(7) 0.4781(6) -0.1108(5) 0.033(3) Uani 1 1 d . . . . .
H88 H 0.453293 0.459587 -0.134478 0.040 Uiso 1 1 calc R U . . .
C90 C 0.6587(6) 0.6349(5) 0.0664(5) 0.027(3) Uani 1 1 d . . . . .
H90 H 0.682124 0.656873 0.089249 0.032 Uiso 1 1 calc R U . . .
C92 C -0.0056(6) 0.6501(5) 0.1339(5) 0.0316(18) Uani 1 1 d . U . . .
O1 O 0.3654(7) 0.6845(4) 0.4855(5) 0.058(3) Uani 1 1 d . U . . .
C94 C 0.5778(6) 0.6847(4) 0.1983(5) 0.020(2) Uani 1 1 d . . . . .
C96 C 0.0456(7) 0.6248(6) 0.2620(6) 0.038(4) Uani 1 1 d . . . . .
H96 H 0.057796 0.656391 0.278143 0.046 Uiso 1 1 calc R U . . .
C98 C 0.6115(7) 0.7705(5) 0.1716(6) 0.033(3) Uani 1 1 d . . . . .
H98 H 0.645279 0.795304 0.165868 0.039 Uiso 1 1 calc R U . . .
C100 C 0.4985(8) 0.7452(5) 0.1650(5) 0.035(3) Uani 1 1 d . . . . .
H100 H 0.454854 0.752800 0.154253 0.042 Uiso 1 1 calc R U . . .
C102 C 0.7602(6) 0.5059(6) 0.3148(5) 0.030(3) Uani 1 1 d . . . . .
C104 C 0.7453(6) 0.5955(6) 0.3469(5) 0.032(3) Uani 1 1 d . . . . .
H104 H 0.717603 0.624239 0.354196 0.038 Uiso 1 1 calc R U . . .
C106 C 0.0492(7) 0.6775(6) 0.1519(6) 0.0327(18) Uani 1 1 d . U . . .
C108 C 0.8107(7) 0.5996(6) 0.3572(6) 0.036(3) Uani 1 1 d . . . . .
H108 H 0.828195 0.630828 0.370972 0.043 Uiso 1 1 calc R U . . .
C110 C 0.5558(7) 0.4013(5) 0.3685(5) 0.031(3) Uani 1 1 d . . . . .
H110 H 0.578208 0.384449 0.341215 0.037 Uiso 1 1 calc R U . . .
C112 C 0.6930(7) 0.5354(6) -0.0328(6) 0.037(3) Uani 1 1 d . . . . .
H112 H 0.669891 0.514358 -0.056731 0.044 Uiso 1 1 calc R U . . .
C114 C 0.2522(6) 0.7019(5) 0.2276(5) 0.0253(19) Uani 1 1 d . U . . .
H114 H 0.272291 0.690784 0.258586 0.030 Uiso 1 1 calc R U . . .
C116 C 0.1911(6) 0.6270(5) 0.3074(5) 0.0300(18) Uani 1 1 d . U . . .
C118 C 0.4968(6) 0.7093(6) -0.0180(5) 0.032(3) Uani 1 1 d . . . . .
H118 H 0.533205 0.690992 -0.031864 0.038 Uiso 1 1 calc R U . . .
C120 C 0.1629(6) 0.4867(6) -0.0250(6) 0.033(2) Uani 1 1 d . U . . .
H120 H 0.149834 0.482809 -0.059785 0.039 Uiso 1 1 calc R U . . .
C122 C 0.3262(7) 0.5420(6) -0.0801(6) 0.040(4) Uani 1 1 d . . . . .
H122 H 0.296649 0.526558 -0.103901 0.048 Uiso 1 1 calc R U . . .
C124 C 0.5689(7) 0.6014(5) -0.1073(5) 0.035(3) Uani 1 1 d . . . . .
H124 H 0.594992 0.620811 -0.083910 0.042 Uiso 1 1 calc R U . . .
C126 C 0.3958(7) 0.7566(6) 0.3190(6) 0.035(2) Uani 1 1 d . U . . .
H126 H 0.403829 0.785963 0.297961 0.042 Uiso 1 1 calc R U . . .
C128 C 0.7642(6) 0.5976(6) 0.0345(6) 0.038(3) Uani 1 1 d . . . . .
H128 H 0.788738 0.619285 0.056870 0.045 Uiso 1 1 calc R U . . .
C130 C 0.5357(8) 0.6472(6) 0.4516(6) 0.037(3) Uani 1 1 d . . . . .
H130 H 0.512543 0.676944 0.463331 0.045 Uiso 1 1 calc R U . . .
C132 C 0.0942(6) 0.5950(6) 0.2363(5) 0.031(2) Uani 1 1 d . U . . .
C134 C 0.1885(7) 0.8001(5) 0.0676(5) 0.030(2) Uani 1 1 d . U . . .
H134 H 0.168693 0.812024 0.036751 0.037 Uiso 1 1 calc R U . . .
C136 C 0.5550(6) 0.6052(5) 0.0299(5) 0.027(3) Uani 1 1 d . . . . .
C138 C 0.5516(8) 0.3778(7) 0.4164(6) 0.043(4) Uani 1 1 d . . . . .
H138 H 0.571699 0.344898 0.421371 0.051 Uiso 1 1 calc R U . . .
C140 C 0.6280(7) 0.7221(5) 0.1915(6) 0.033(3) Uani 1 1 d . . . . .
H140 H 0.672172 0.714387 0.200499 0.040 Uiso 1 1 calc R U . . .
C142 C 0.8273(6) 0.5125(6) 0.3262(5) 0.034(3) Uani 1 1 d . . . . .
H142 H 0.856684 0.484840 0.318947 0.041 Uiso 1 1 calc R U . . .
C144 C 0.1665(7) 0.7562(5) 0.0910(5) 0.029(2) Uani 1 1 d . U . . .
H144 H 0.131110 0.737836 0.075615 0.034 Uiso 1 1 calc R U . . .
C146 C 0.7927(6) 0.6152(5) 0.2173(6) 0.034(3) Uani 1 1 d . . . . .
H146 H 0.829494 0.631443 0.233023 0.041 Uiso 1 1 calc R U . . .
C73 C 0.5195(8) 0.4005(7) 0.4563(5) 0.044(4) Uani 1 1 d . . . . .
H73 H 0.515762 0.383477 0.488503 0.053 Uiso 1 1 calc R U . . .
C37 C 0.2418(7) 0.8279(5) 0.0902(6) 0.034(2) Uani 1 1 d . U . . .
H37 H 0.257779 0.858406 0.074052 0.040 Uiso 1 1 calc R U . . .
C75 C 0.3727(7) 0.6690(5) 0.3798(6) 0.033(2) Uani 1 1 d . U . . .
H75 H 0.367151 0.639408 0.400950 0.040 Uiso 1 1 calc R U . . .
C19 C 0.4822(7) 0.7587(5) -0.0364(6) 0.035(3) Uani 1 1 d . . . . .
H19 H 0.509942 0.774705 -0.061085 0.042 Uiso 1 1 calc R U . . .
C77 C 0.3802(6) 0.6639(5) 0.3263(6) 0.0299(18) Uani 1 1 d . U . . .
C39 C 0.1444(7) 0.6720(5) -0.0014(5) 0.031(2) Uani 1 1 d . U . . .
H39 H 0.102898 0.662423 0.012403 0.037 Uiso 1 1 calc R U . . .
C79 C 0.5362(6) 0.6805(5) 0.3621(5) 0.029(3) Uani 1 1 d . . . . .
H79 H 0.513430 0.710756 0.372856 0.035 Uiso 1 1 calc R U . . .
C5 C -0.0698(7) 0.6692(6) 0.1453(6) 0.035(2) Uani 1 1 d . U . . .
H5 H -0.107201 0.651580 0.132177 0.042 Uiso 1 1 calc R U . . .
C81 C 0.2757(6) 0.7449(5) 0.2039(5) 0.028(2) Uani 1 1 d . U . . .
H81 H 0.312214 0.762749 0.218218 0.033 Uiso 1 1 calc R U . . .
C41 C 0.5060(7) 0.5250(5) -0.1262(5) 0.032(3) Uani 1 1 d . . . . .
C83 C 0.2705(7) 0.8108(5) 0.1353(6) 0.033(2) Uani 1 1 d . U . . .
H83 H 0.305115 0.830050 0.150709 0.040 Uiso 1 1 calc R U . . .
C21 C 0.8043(6) 0.5775(5) 0.1817(6) 0.035(3) Uani 1 1 d . . . . .
H21 H 0.848114 0.569685 0.171708 0.042 Uiso 1 1 calc R U . . .
C85 C 0.4942(7) 0.4738(6) 0.4013(5) 0.035(3) Uani 1 1 d . . . . .
H85 H 0.473652 0.506370 0.395896 0.042 Uiso 1 1 calc R U . . .
C43 C 0.0105(6) 0.5328(6) 0.2125(6) 0.040(2) Uani 1 1 d . U . . .
H43 H -0.001871 0.502527 0.194128 0.048 Uiso 1 1 calc R U . . .
C87 C 0.1715(6) 0.5362(6) -0.0068(5) 0.031(2) Uani 1 1 d . U . . .
H87 H 0.164915 0.565062 -0.028760 0.037 Uiso 1 1 calc R U . . .
C11 C 0.4929(7) 0.5472(7) -0.1747(5) 0.039(4) Uani 1 1 d . . . . .
H11 H 0.465459 0.528888 -0.197948 0.047 Uiso 1 1 calc R U . . .
C89 C 0.3736(7) 0.7193(6) 0.4011(6) 0.038(2) Uani 1 1 d . U . . .
C45 C -0.0179(7) 0.6090(7) 0.2640(7) 0.047(3) Uani 1 1 d . U . . .
H45 H -0.050155 0.629566 0.280825 0.057 Uiso 1 1 calc R U . . .
C91 C 0.2615(7) 0.6647(5) -0.0022(5) 0.031(2) Uani 1 1 d . U . . .
H91 H 0.301177 0.650467 0.010850 0.037 Uiso 1 1 calc R U . . .
C23 C 0.5272(6) 0.4869(5) -0.0254(6) 0.031(3) Uani 1 1 d . . . . .
C93 C 0.5529(6) 0.6744(5) 0.3114(5) 0.025(3) Uani 1 1 d . . . . .
H93 H 0.541586 0.700576 0.287406 0.030 Uiso 1 1 calc R U . . .
C47 C 0.1461(7) 0.7080(6) -0.0426(5) 0.034(2) Uani 1 1 d . U . . .
H47 H 0.106835 0.723147 -0.055550 0.041 Uiso 1 1 calc R U . . .
C95 C 0.1717(7) 0.4428(6) 0.0034(6) 0.036(2) Uani 1 1 d . U . . .
H95 H 0.163164 0.409435 -0.010578 0.044 Uiso 1 1 calc R U . . .
C3 C 0.6873(6) 0.5637(5) 0.1739(5) 0.028(3) Uani 1 1 d . . . . .
H3 H 0.650597 0.546091 0.159612 0.034 Uiso 1 1 calc R U . . .
C97 C 0.7948(7) 0.5655(7) 0.0035(6) 0.042(4) Uani 1 1 d . . . . .
H97 H 0.841488 0.564119 0.004266 0.051 Uiso 1 1 calc R U . . .
C49 C 0.2021(7) 0.4983(6) 0.0739(6) 0.036(2) Uani 1 1 d . U . . .
H49 H 0.216362 0.501988 0.108441 0.043 Uiso 1 1 calc R U . . .
C99 C 0.5442(6) 0.5550(5) -0.0900(5) 0.029(3) Uani 1 1 d . . . . .
C25 C 0.0384(7) 0.7243(6) 0.1841(6) 0.037(2) Uani 1 1 d . U . . .
H25 H 0.074764 0.742428 0.198189 0.044 Uiso 1 1 calc R U . . .
C101 C -0.0356(7) 0.5618(7) 0.2409(6) 0.045(2) Uani 1 1 d . U . . .
H101 H -0.079233 0.549254 0.244541 0.054 Uiso 1 1 calc R U . . .
C51 C 0.2073(8) 0.7205(6) -0.0635(6) 0.035(2) Uani 1 1 d . U . . .
H51 H 0.210403 0.743201 -0.092073 0.043 Uiso 1 1 calc R U . . .
C103 C 0.1938(7) 0.4490(6) 0.0540(6) 0.039(2) Uani 1 1 d . U . . .
H103 H 0.203003 0.419519 0.074618 0.047 Uiso 1 1 calc R U . . .
C13 C 0.1939(6) 0.7365(5) 0.1371(5) 0.0284(18) Uani 1 1 d . U . . .
C105 C 0.5533(7) 0.6083(7) 0.4850(6) 0.043(4) Uani 1 1 d . . . . .
H105 H 0.539000 0.610474 0.519694 0.052 Uiso 1 1 calc R U . . .
C53 C 0.4280(7) 0.7837(5) -0.0188(6) 0.032(3) Uani 1 1 d . . . . .
H53 H 0.414971 0.815812 -0.033375 0.039 Uiso 1 1 calc R U . . .
C107 C 0.6063(5) 0.5908(5) 0.3285(5) 0.021(3) Uani 1 1 d . . . . .
C27 C 0.5184(9) 0.5947(8) -0.1898(6) 0.057(5) Uani 1 1 d . . . . .
H27 H 0.508917 0.608543 -0.222805 0.069 Uiso 1 1 calc R U . . .
C109 C -0.0784(7) 0.7124(6) 0.1748(6) 0.040(2) Uani 1 1 d . U . . .
H109 H -0.121670 0.723513 0.183116 0.048 Uiso 1 1 calc R U . . .
C55 C 0.1763(7) 0.6744(6) 0.3280(6) 0.037(2) Uani 1 1 d . U . . .
H55 H 0.162516 0.701098 0.305352 0.045 Uiso 1 1 calc R U . . .
C111 C 0.6076(6) 0.5602(6) 0.4203(5) 0.032(3) Uani 1 1 d . . . . .
H111 H 0.632213 0.530552 0.410475 0.039 Uiso 1 1 calc R U . . .
C7 C 0.5904(8) 0.5666(6) 0.4706(6) 0.045(4) Uani 1 1 d . . . . .
H7 H 0.604268 0.542053 0.495560 0.054 Uiso 1 1 calc R U . . .
C113 C 0.7602(8) 0.5327(6) -0.0310(7) 0.043(4) Uani 1 1 d . . . . .
H113 H 0.783417 0.509267 -0.052512 0.052 Uiso 1 1 calc R U . . .
C57 C 0.2013(8) 0.6437(6) 0.4134(6) 0.041(2) Uani 1 1 d . U . . .
H57 H 0.204590 0.648703 0.449484 0.049 Uiso 1 1 calc R U . . .
C115 C 0.1803(8) 0.6859(6) 0.3805(6) 0.042(2) Uani 1 1 d . U . . .
H115 H 0.169941 0.719188 0.393627 0.051 Uiso 1 1 calc R U . . .
C29 C 0.3600(8) 0.7238(6) 0.4589(7) 0.045(2) Uani 1 1 d . U . . .
C117 C 0.5594(9) 0.6222(6) -0.1544(6) 0.046(4) Uani 1 1 d . . . . .
H117 H 0.579362 0.654088 -0.163765 0.055 Uiso 1 1 calc R U . . .
C59 C 0.5226(6) 0.4320(5) 0.2529(5) 0.028(3) Uani 1 1 d . . . . .
C119 C 0.2923(6) 0.4333(6) 0.2454(6) 0.0320(18) Uani 1 1 d . U . . .
C15 C 0.4675(6) 0.4017(6) 0.2588(6) 0.035(3) Uani 1 1 d . . . . .
H15 H 0.440907 0.405971 0.288515 0.042 Uiso 1 1 calc R U . . .
C121 C 0.5418(7) 0.3934(6) 0.1711(6) 0.035(3) Uani 1 1 d . . . . .
H121 H 0.568019 0.390771 0.141010 0.042 Uiso 1 1 calc R U . . .
C61 C 0.6269(6) 0.4387(5) 0.0373(5) 0.030(3) Uani 1 1 d . . . . .
C123 C 0.3181(6) 0.4534(6) 0.2923(6) 0.034(2) Uani 1 1 d . U . . .
H123 H 0.341272 0.485350 0.293924 0.041 Uiso 1 1 calc R U . . .
C31 C 0.4263(7) 0.4022(6) 0.0485(7) 0.041(4) Uani 1 1 d . . . . .
H31 H 0.406299 0.434919 0.054329 0.050 Uiso 1 1 calc R U . . .
C125 C 0.3802(6) 0.5442(5) 0.0025(5) 0.024(3) Uani 1 1 d . . . . .
H125 H 0.386026 0.530730 0.036129 0.029 Uiso 1 1 calc R U . . .
C63 C 0.6638(7) 0.4458(5) 0.0821(6) 0.033(3) Uani 1 1 d . . . . .
H63 H 0.645561 0.463391 0.110807 0.039 Uiso 1 1 calc R U . . .
C127 C 0.5575(7) 0.4286(5) 0.2074(6) 0.034(3) Uani 1 1 d . . . . .
H127 H 0.593227 0.451615 0.201525 0.040 Uiso 1 1 calc R U . . .
C2 C 0.4949(7) 0.3981(6) 0.0384(6) 0.038(3) Uani 1 1 d . . . . .
O4 O 0.3492(6) 0.7687(4) 0.4747(5) 0.056(3) Uani 1 1 d . U . . .
C129 C 0.5207(8) 0.3492(5) 0.0292(6) 0.040(4) Uani 1 1 d . . . . .
H129 H 0.565917 0.345885 0.020737 0.048 Uiso 1 1 calc R U . . .
C65 C 0.8524(7) 0.5569(7) 0.3473(6) 0.042(4) Uani 1 1 d . . . . .
H65 H 0.897878 0.559027 0.355247 0.050 Uiso 1 1 calc R U . . .
C131 C 0.7180(7) 0.3976(6) -0.0027(6) 0.039(4) Uani 1 1 d . . . . .
H131 H 0.737765 0.382677 -0.032213 0.047 Uiso 1 1 calc R U . . .
C33 C 0.6526(7) 0.4129(6) -0.0052(5) 0.034(3) Uani 1 1 d . . . . .
H33 H 0.626523 0.406134 -0.034728 0.040 Uiso 1 1 calc R U . . .
C133 C 0.3355(6) 0.5203(5) -0.0301(6) 0.032(3) Uani 1 1 d . . . . .
H133 H 0.311870 0.490384 -0.019560 0.039 Uiso 1 1 calc R U . . .
C67 C 0.2588(7) 0.3874(6) 0.2444(6) 0.040(2) Uani 1 1 d . U . . .
H67 H 0.240689 0.375685 0.212847 0.049 Uiso 1 1 calc R U . . .
C135 C 0.7276(7) 0.4266(7) 0.0838(7) 0.045(4) Uani 1 1 d . . . . .
H135 H 0.752373 0.429533 0.114578 0.054 Uiso 1 1 calc R U . . .
C17 C 0.3068(7) 0.4222(6) 0.3364(6) 0.037(2) Uani 1 1 d . U . . .
H17 H 0.321922 0.434292 0.368741 0.044 Uiso 1 1 calc R U . . .
C137 C 0.2505(7) 0.3579(6) 0.2877(7) 0.046(2) Uani 1 1 d . U . . .
C69 C 0.2172(9) 0.3059(8) 0.2860(8) 0.059(3) Uani 1 1 d . U . . .
C139 C 0.2754(7) 0.3762(6) 0.3342(6) 0.041(2) Uani 1 1 d . U . . .
H139 H 0.270325 0.356168 0.364488 0.049 Uiso 1 1 calc R U . . .
O2 O 0.1755(8) 0.3013(6) 0.2503(7) 0.093(4) Uani 1 1 d . U . . .
O3 O 0.2239(6) 0.2748(5) 0.3213(6) 0.064(3) Uani 1 1 d . U . . .
C35 C 0.4176(10) 0.3095(6) 0.0391(8) 0.055(5) Uani 1 1 d . . . . .
H35 H 0.390673 0.279533 0.036904 0.066 Uiso 1 1 calc R U . . .
C141 C 0.7556(7) 0.4033(6) 0.0413(6) 0.042(4) Uani 1 1 d . . . . .
H141 H 0.799854 0.391483 0.042263 0.050 Uiso 1 1 calc R U . . .
C71 C 0.3887(8) 0.3562(6) 0.0495(7) 0.046(4) Uani 1 1 d . . . . .
H71 H 0.343139 0.357639 0.057448 0.055 Uiso 1 1 calc R U . . .
C143 C 0.4814(11) 0.3048(7) 0.0319(7) 0.056(5) Uani 1 1 d . . . . .
H143 H 0.500707 0.271400 0.028627 0.067 Uiso 1 1 calc R U . . .
C9 C 0.4496(7) 0.3645(5) 0.2220(6) 0.038(4) Uani 1 1 d . . . . .
H9 H 0.412770 0.342550 0.227766 0.046 Uiso 1 1 calc R U . . .
C145 C 0.4859(7) 0.3599(5) 0.1772(5) 0.035(3) Uani 1 1 d . . . . .
H145 H 0.474288 0.335451 0.151490 0.042 Uiso 1 1 calc R U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Au02 Au03 2.6938(9) . ?
Au02 Au04 2.9275(8) . ?
Au02 Au05 2.6419(8) . ?
Au02 Au06 2.9523(8) . ?
Au02 Au1 2.8745(8) . ?
Au02 P3 2.291(3) . ?
Au03 Au05 2.6677(8) . ?
Au03 Au08 2.9812(8) . ?
Au03 P1 2.293(3) . ?
Au04 Au05 2.8556(9) . ?
Au04 Au06 2.7000(8) . ?
Au04 Au1 2.6553(8) . ?
Au04 S2 2.367(3) . ?
Au05 Au07 3.3203(8) . ?
Au05 Au08 2.9597(9) . ?
Au05 Au1 3.2045(10) . ?
Au05 S1 2.386(3) . ?
Au06 Au1 2.7024(8) . ?
Au06 P6 2.290(3) . ?
Au07 Au1 2.8952(9) . ?
Au07 S1 2.330(3) . ?
Au07 P5 2.284(3) . ?
Au08 S2 2.362(3) . ?
Au08 P4 2.284(3) . ?
Au1 P2 2.325(3) . ?
S1 C77 1.768(14) . ?
S2 C119 1.786(14) . ?
P1 C14 1.828(13) . ?
P1 C56 1.801(13) . ?
P1 C76 1.805(14) . ?
P4 C24 1.810(13) . ?
P4 C116 1.822(14) . ?
P4 C132 1.805(13) . ?
P6 C23 1.809(14) . ?
P6 C61 1.825(13) . ?
P6 C2 1.830(14) . ?
P3 C18 1.838(14) . ?
P3 C78 1.831(13) . ?
P3 C136 1.835(13) . ?
P2 C1 1.816(12) . ?
P2 C42 1.826(13) . ?
P2 C94 1.824(11) . ?
P5 C8 1.821(12) . ?
P5 C54 1.832(14) . ?
P5 C59 1.822(14) . ?
C1 C82 1.433(18) . ?
C1 C3 1.398(19) . ?
C4 H4 0.9500 . ?
C4 C8 1.462(18) . ?
C4 C68 1.368(18) . ?
C6 C8 1.388(19) . ?
C6 C36 1.440(18) . ?
C6 C107 1.468(17) . ?
C10 H10 0.9500 . ?
C10 C90 1.341(18) . ?
C10 C136 1.441(19) . ?
C12 C16 1.442(16) . ?
C12 C34 1.438(17) . ?
C12 C112 1.376(19) . ?
C14 C48 1.403(18) . ?
C14 C62 1.423(19) . ?
C16 C74 1.507(18) . ?
C16 C136 1.386(18) . ?
C18 C38 1.423(17) . ?
C18 C118 1.366(19) . ?
C20 H20 0.9500 . ?
C20 C132 1.36(2) . ?
C20 C43 1.388(18) . ?
C22 H22 0.9500 . ?
C22 C70 1.36(2) . ?
C22 C116 1.417(19) . ?
C24 C58 1.429(18) . ?
C24 C114 1.418(17) . ?
C26 H26 0.9500 . ?
C26 C73 1.42(2) . ?
C26 C85 1.37(2) . ?
C28 H28 0.9500 . ?
C28 C44 1.366(19) . ?
C28 C78 1.406(18) . ?
C30 H30 0.9500 . ?
C30 C48 1.364(18) . ?
C30 C92 1.42(2) . ?
C32 H32 0.9500 . ?
C32 C88 1.372(19) . ?
C32 C23 1.459(19) . ?
C34 C90 1.410(18) . ?
C34 C128 1.443(17) . ?
C36 C102 1.46(2) . ?
C36 C104 1.43(2) . ?
C38 H38 0.9500 . ?
C38 C80 1.363(19) . ?
C40 H40 0.9500 . ?
C40 C98 1.34(2) . ?
C40 C100 1.42(2) . ?
C42 C93 1.416(17) . ?
C42 C107 1.397(17) . ?
C44 H44 0.9500 . ?
C44 C122 1.39(2) . ?
C46 C84 1.443(18) . ?
C46 C130 1.431(19) . ?
C46 C79 1.430(19) . ?
C48 H48 0.9500 . ?
C50 H50 0.9500 . ?
C50 C25 1.36(2) . ?
C50 C109 1.41(2) . ?
C52 H52 0.9500 . ?
C52 C126 1.36(2) . ?
C52 C89 1.39(2) . ?
C54 C110 1.367(18) . ?
C54 C85 1.409(19) . ?
C56 C39 1.369(18) . ?
C56 C91 1.421(18) . ?
C58 C62 1.497(19) . ?
C58 C13 1.408(19) . ?
C60 H60 0.9500 . ?
C60 C21 1.44(2) . ?
C60 C3 1.382(18) . ?
C62 C106 1.413(18) . ?
C64 H64 0.9500 . ?
C64 C94 1.393(18) . ?
C64 C100 1.356(19) . ?
C66 C81 1.389(19) . ?
C66 C83 1.455(19) . ?
C66 C13 1.405(19) . ?
C68 H68 0.9500 . ?
C68 C102 1.37(2) . ?
C70 H70 0.9500 . ?
C70 C57 1.40(2) . ?
C72 H72 0.9500 . ?
C72 C91 1.379(19) . ?
C72 C51 1.37(2) . ?
C74 C23 1.40(2) . ?
C74 C99 1.421(18) . ?
C76 C87 1.400(19) . ?
C76 C49 1.42(2) . ?
C78 C125 1.358(18) . ?
C80 H80 0.9500 . ?
C80 C53 1.40(2) . ?
C82 H82 0.9500 . ?
C82 C146 1.36(2) . ?
C84 C107 1.465(19) . ?
C84 C111 1.394(19) . ?
C86 H86 0.9500 . ?
C86 C126 1.38(2) . ?
C86 C77 1.387(19) . ?
C88 H88 0.9500 . ?
C88 C41 1.38(2) . ?
C90 H90 0.9500 . ?
C92 C106 1.40(2) . ?
C92 C5 1.427(18) . ?
O1 C29 1.23(2) . ?
C94 C140 1.417(17) . ?
C96 H96 0.9500 . ?
C96 C132 1.42(2) . ?
C96 C45 1.36(2) . ?
C98 H98 0.9500 . ?
C98 C140 1.39(2) . ?
C100 H100 0.9500 . ?
C102 C142 1.407(18) . ?
C104 H104 0.9500 . ?
C104 C108 1.360(19) . ?
C106 C25 1.49(2) . ?
C108 H108 0.9500 . ?
C108 C65 1.41(2) . ?
C110 H110 0.9500 . ?
C110 C138 1.389(19) . ?
C112 H112 0.9500 . ?
C112 C113 1.37(2) . ?
C114 H114 0.9500 . ?
C114 C81 1.356(18) . ?
C116 C55 1.37(2) . ?
C118 H118 0.9500 . ?
C118 C19 1.394(19) . ?
C120 H120 0.9500 . ?
C120 C87 1.37(2) . ?
C120 C95 1.37(2) . ?
C122 H122 0.9500 . ?
C122 C133 1.43(2) . ?
C124 H124 0.9500 . ?
C124 C99 1.376(19) . ?
C124 C117 1.35(2) . ?
C126 H126 0.9500 . ?
C128 H128 0.9500 . ?
C128 C97 1.31(2) . ?
C130 H130 0.9500 . ?
C130 C105 1.38(2) . ?
C134 H134 0.9500 . ?
C134 C144 1.362(19) . ?
C134 C37 1.43(2) . ?
C138 H138 0.9500 . ?
C138 C73 1.36(2) . ?
C140 H140 0.9500 . ?
C142 H142 0.9500 . ?
C142 C65 1.37(2) . ?
C144 H144 0.9500 . ?
C144 C13 1.417(19) . ?
C146 H146 0.9500 . ?
C146 C21 1.36(2) . ?
C73 H73 0.9500 . ?
C37 H37 0.9500 . ?
C37 C83 1.38(2) . ?
C75 H75 0.9500 . ?
C75 C77 1.41(2) . ?
C75 C89 1.41(2) . ?
C19 H19 0.9500 . ?
C19 C53 1.36(2) . ?
C39 H39 0.9500 . ?
C39 C47 1.421(19) . ?
C79 H79 0.9500 . ?
C79 C93 1.371(19) . ?
C5 H5 0.9500 . ?
C5 C109 1.37(2) . ?
C81 H81 0.9500 . ?
C41 C11 1.41(2) . ?
C41 C99 1.445(19) . ?
C83 H83 0.9500 . ?
C21 H21 0.9500 . ?
C85 H85 0.9500 . ?
C43 H43 0.9500 . ?
C43 C101 1.41(2) . ?
C87 H87 0.9500 . ?
C11 H11 0.9500 . ?
C11 C27 1.39(3) . ?
C89 C29 1.53(2) . ?
C45 H45 0.9500 . ?
C45 C101 1.40(3) . ?
C91 H91 0.9500 . ?
C93 H93 0.9500 . ?
C47 H47 0.9500 . ?
C47 C51 1.40(2) . ?
C95 H95 0.9500 . ?
C95 C103 1.40(2) . ?
C3 H3 0.9500 . ?
C97 H97 0.9500 . ?
C97 C113 1.42(2) . ?
C49 H49 0.9500 . ?
C49 C103 1.38(2) . ?
C25 H25 0.9500 . ?
C101 H101 0.9500 . ?
C51 H51 0.9500 . ?
C103 H103 0.9500 . ?
C105 H105 0.9500 . ?
C105 C7 1.37(2) . ?
C53 H53 0.9500 . ?
C27 H27 0.9500 . ?
C27 C117 1.43(2) . ?
C109 H109 0.9500 . ?
C55 H55 0.9500 . ?
C55 C115 1.40(2) . ?
C111 H111 0.9500 . ?
C111 C7 1.37(2) . ?
C7 H7 0.9500 . ?
C113 H113 0.9500 . ?
C57 H57 0.9500 . ?
C57 C115 1.45(2) . ?
C115 H115 0.9500 . ?
C29 O4 1.249(18) . ?
C117 H117 0.9500 . ?
C59 C15 1.376(19) . ?
C59 C127 1.385(18) . ?
C119 C123 1.43(2) . ?
C119 C67 1.37(2) . ?
C15 H15 0.9500 . ?
C15 C9 1.41(2) . ?
C121 H121 0.9500 . ?
C121 C127 1.35(2) . ?
C121 C145 1.44(2) . ?
C61 C63 1.399(19) . ?
C61 C33 1.39(2) . ?
C123 H123 0.9500 . ?
C123 C17 1.42(2) . ?
C31 H31 0.9500 . ?
C31 C2 1.42(2) . ?
C31 C71 1.41(2) . ?
C125 H125 0.9500 . ?
C125 C133 1.387(18) . ?
C63 H63 0.9500 . ?
C63 C135 1.39(2) . ?
C127 H127 0.9500 . ?
C2 C129 1.39(2) . ?
C129 H129 0.9500 . ?
C129 C143 1.40(2) . ?
C65 H65 0.9500 . ?
C131 H131 0.9500 . ?
C131 C33 1.389(19) . ?
C131 C141 1.39(2) . ?
C33 H33 0.9500 . ?
C133 H133 0.9500 . ?
C67 H67 0.9500 . ?
C67 C137 1.37(2) . ?
C135 H135 0.9500 . ?
C135 C141 1.38(2) . ?
C17 H17 0.9500 . ?
C17 C139 1.35(2) . ?
C137 C69 1.50(2) . ?
C137 C139 1.39(2) . ?
C69 O2 1.26(2) . ?
C69 O3 1.23(2) . ?
C139 H139 0.9500 . ?
C35 H35 0.9500 . ?
C35 C71 1.37(2) . ?
C35 C143 1.32(3) . ?
C141 H141 0.9500 . ?
C71 H71 0.9500 . ?
C143 H143 0.9500 . ?
C9 H9 0.9500 . ?
C9 C145 1.39(2) . ?
C145 H145 0.9500 . ?

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
Au03 Au02 Au04 86.60(2) . . ?
Au03 Au02 Au06 130.54(2) . . ?
Au03 Au02 Au1 128.19(3) . . ?
Au04 Au02 Au06 54.670(19) . . ?
Au05 Au02 Au03 59.986(19) . . ?
Au05 Au02 Au04 61.44(2) . . ?
Au05 Au02 Au06 112.02(2) . . ?
Au05 Au02 Au1 70.89(2) . . ?
Au1 Au02 Au04 54.463(19) . . ?
Au1 Au02 Au06 55.245(19) . . ?
P3 Au02 Au03 115.14(8) . . ?
P3 Au02 Au04 135.06(9) . . ?
P3 Au02 Au05 163.50(9) . . ?
P3 Au02 Au06 83.34(8) . . ?
P3 Au02 Au1 116.62(8) . . ?
Au02 Au03 Au08 108.32(2) . . ?
Au05 Au03 Au02 59.04(2) . . ?
Au05 Au03 Au08 62.91(2) . . ?
P1 Au03 Au02 139.46(8) . . ?
P1 Au03 Au05 159.98(8) . . ?
P1 Au03 Au08 98.65(8) . . ?
Au05 Au04 Au02 54.35(2) . . ?
Au06 Au04 Au02 63.134(19) . . ?
Au06 Au04 Au05 113.31(2) . . ?
Au1 Au04 Au02 61.752(19) . . ?
Au1 Au04 Au05 71.01(2) . . ?
Au1 Au04 Au06 60.61(2) . . ?
S2 Au04 Au02 118.84(8) . . ?
S2 Au04 Au05 94.25(8) . . ?
S2 Au04 Au06 137.39(8) . . ?
S2 Au04 Au1 161.66(8) . . ?
Au02 Au05 Au03 60.97(2) . . ?
Au02 Au05 Au04 64.212(19) . . ?
Au02 Au05 Au07 109.88(3) . . ?
Au02 Au05 Au08 110.41(2) . . ?
Au02 Au05 Au1 57.946(17) . . ?
Au03 Au05 Au04 88.57(2) . . ?
Au03 Au05 Au07 154.60(2) . . ?
Au03 Au05 Au08 63.73(2) . . ?
Au03 Au05 Au1 116.80(2) . . ?
Au04 Au05 Au07 66.793(19) . . ?
Au04 Au05 Au08 75.82(2) . . ?
Au04 Au05 Au1 51.581(16) . . ?
Au08 Au05 Au07 102.36(2) . . ?
Au08 Au05 Au1 126.61(3) . . ?
Au1 Au05 Au07 52.647(17) . . ?
S1 Au05 Au02 153.51(7) . . ?
S1 Au05 Au03 144.54(7) . . ?
S1 Au05 Au04 102.13(8) . . ?
S1 Au05 Au07 44.56(7) . . ?
S1 Au05 Au08 86.01(7) . . ?
S1 Au05 Au1 95.62(7) . . ?
Au04 Au06 Au02 62.196(19) . . ?
Au04 Au06 Au1 58.88(2) . . ?
Au1 Au06 Au02 60.914(19) . . ?
P6 Au06 Au02 132.20(9) . . ?
P6 Au06 Au04 141.33(8) . . ?
P6 Au06 Au1 156.99(9) . . ?
Au1 Au07 Au05 61.62(2) . . ?
S1 Au07 Au05 45.93(8) . . ?
S1 Au07 Au1 105.70(8) . . ?
P5 Au07 Au05 138.95(9) . . ?
P5 Au07 Au1 84.21(9) . . ?
P5 Au07 S1 165.88(11) . . ?
Au05 Au08 Au03 53.362(16) . . ?
S2 Au08 Au03 96.55(8) . . ?
S2 Au08 Au05 91.71(8) . . ?
P4 Au08 Au03 90.75(8) . . ?
P4 Au08 Au05 95.84(9) . . ?
P4 Au08 S2 171.70(11) . . ?
Au02 Au1 Au05 51.167(19) . . ?
Au02 Au1 Au07 116.11(3) . . ?
Au04 Au1 Au02 63.79(2) . . ?
Au04 Au1 Au05 57.41(2) . . ?
Au04 Au1 Au06 60.516(19) . . ?
Au04 Au1 Au07 75.97(2) . . ?
Au06 Au1 Au02 63.84(2) . . ?
Au06 Au1 Au05 103.26(2) . . ?
Au06 Au1 Au07 131.45(3) . . ?
Au07 Au1 Au05 65.730(17) . . ?
P2 Au1 Au02 119.23(8) . . ?
P2 Au1 Au04 164.88(8) . . ?
P2 Au1 Au05 111.60(8) . . ?
P2 Au1 Au06 134.60(8) . . ?
P2 Au1 Au07 90.12(8) . . ?
Au07 S1 Au05 89.51(11) . . ?
C77 S1 Au05 110.4(5) . . ?
C77 S1 Au07 115.4(4) . . ?
Au08 S2 Au04 98.19(12) . . ?
C119 S2 Au04 113.2(4) . . ?
C119 S2 Au08 100.0(5) . . ?
C14 P1 Au03 117.3(4) . . ?
C56 P1 Au03 114.9(4) . . ?
C56 P1 C14 103.1(6) . . ?
C56 P1 C76 103.9(6) . . ?
C76 P1 Au03 112.1(4) . . ?
C76 P1 C14 104.1(6) . . ?
C24 P4 Au08 112.1(4) . . ?
C24 P4 C116 104.2(6) . . ?
C24 P4 C132 113.4(6) . . ?
C116 P4 Au08 113.2(5) . . ?
C132 P4 Au08 111.1(5) . . ?
C132 P4 C116 102.4(6) . . ?
C23 P6 Au06 117.3(5) . . ?
C23 P6 C61 105.2(6) . . ?
C23 P6 C2 106.0(7) . . ?
C61 P6 Au06 117.3(5) . . ?
C61 P6 C2 104.1(7) . . ?
C2 P6 Au06 105.6(5) . . ?
C18 P3 Au02 112.7(4) . . ?
C78 P3 Au02 108.7(4) . . ?
C78 P3 C18 102.7(6) . . ?
C78 P3 C136 114.1(6) . . ?
C136 P3 Au02 115.1(4) . . ?
C136 P3 C18 102.8(6) . . ?
C1 P2 Au1 114.5(4) . . ?
C1 P2 C42 108.6(6) . . ?
C1 P2 C94 106.9(6) . . ?
C42 P2 Au1 113.1(4) . . ?
C42 P2 C94 104.4(6) . . ?
C94 P2 Au1 108.7(4) . . ?
C8 P5 Au07 119.3(4) . . ?
C8 P5 C54 101.1(6) . . ?
C8 P5 C59 106.8(6) . . ?
C54 P5 Au07 110.9(4) . . ?
C59 P5 Au07 114.3(4) . . ?
C59 P5 C54 102.4(6) . . ?
C82 C1 P2 121.2(10) . . ?
C3 C1 P2 117.8(9) . . ?
C3 C1 C82 120.9(11) . . ?
C8 C4 H4 120.8 . . ?
C68 C4 H4 120.8 . . ?
C68 C4 C8 118.4(13) . . ?
C8 C6 C36 117.8(11) . . ?
C8 C6 C107 124.5(11) . . ?
C36 C6 C107 117.2(12) . . ?
C4 C8 P5 115.7(10) . . ?
C6 C8 P5 122.2(9) . . ?
C6 C8 C4 121.5(11) . . ?
C90 C10 H10 118.9 . . ?
C90 C10 C136 122.2(12) . . ?
C136 C10 H10 118.9 . . ?
C34 C12 C16 118.8(11) . . ?
C112 C12 C16 122.4(12) . . ?
C112 C12 C34 118.8(12) . . ?
C48 C14 P1 117.8(10) . . ?
C48 C14 C62 120.8(12) . . ?
C62 C14 P1 120.7(10) . . ?
C12 C16 C74 116.7(11) . . ?
C136 C16 C12 119.4(12) . . ?
C136 C16 C74 123.8(11) . . ?
C38 C18 P3 116.4(10) . . ?
C118 C18 P3 123.1(10) . . ?
C118 C18 C38 119.7(12) . . ?
C132 C20 H20 118.2 . . ?
C132 C20 C43 123.7(14) . . ?
C43 C20 H20 118.2 . . ?
C70 C22 H22 120.5 . . ?
C70 C22 C116 118.9(14) . . ?
C116 C22 H22 120.5 . . ?
C58 C24 P4 126.0(10) . . ?
C114 C24 P4 116.4(9) . . ?
C114 C24 C58 117.0(12) . . ?
C73 C26 H26 119.6 . . ?
C85 C26 H26 119.6 . . ?
C85 C26 C73 120.9(14) . . ?
C44 C28 H28 120.8 . . ?
C44 C28 C78 118.3(13) . . ?
C78 C28 H28 120.8 . . ?
C48 C30 H30 119.1 . . ?
C48 C30 C92 121.8(13) . . ?
C92 C30 H30 119.1 . . ?
C88 C32 H32 120.7 . . ?
C88 C32 C23 118.5(13) . . ?
C23 C32 H32 120.7 . . ?
C90 C34 C12 120.0(11) . . ?
C90 C34 C128 121.8(12) . . ?
C128 C34 C12 118.2(12) . . ?
C6 C36 C102 120.1(13) . . ?
C104 C36 C6 122.0(13) . . ?
C104 C36 C102 117.9(12) . . ?
C18 C38 H38 121.3 . . ?
C80 C38 C18 117.5(12) . . ?
C80 C38 H38 121.3 . . ?
C98 C40 H40 119.8 . . ?
C98 C40 C100 120.3(13) . . ?
C100 C40 H40 119.8 . . ?
C93 C42 P2 116.6(10) . . ?
C107 C42 P2 121.1(9) . . ?
C107 C42 C93 121.7(11) . . ?
C28 C44 H44 118.7 . . ?
C28 C44 C122 122.6(13) . . ?
C122 C44 H44 118.7 . . ?
C130 C46 C84 119.1(12) . . ?
C79 C46 C84 120.2(12) . . ?
C79 C46 C130 120.7(12) . . ?
C14 C48 H48 120.3 . . ?
C30 C48 C14 119.4(13) . . ?
C30 C48 H48 120.3 . . ?
C25 C50 H50 119.7 . . ?
C25 C50 C109 120.6(15) . . ?
C109 C50 H50 119.7 . . ?
C126 C52 H52 119.9 . . ?
C126 C52 C89 120.3(14) . . ?
C89 C52 H52 119.9 . . ?
C110 C54 P5 121.8(11) . . ?
C110 C54 C85 120.3(13) . . ?
C85 C54 P5 117.8(10) . . ?
C39 C56 P1 124.4(10) . . ?
C39 C56 C91 117.7(12) . . ?
C91 C56 P1 117.9(10) . . ?
C24 C58 C62 118.2(12) . . ?
C13 C58 C24 120.4(12) . . ?
C13 C58 C62 121.2(12) . . ?
C21 C60 H60 121.1 . . ?
C3 C60 H60 121.1 . . ?
C3 C60 C21 117.8(14) . . ?
C14 C62 C58 122.4(11) . . ?
C106 C62 C14 118.5(12) . . ?
C106 C62 C58 119.1(12) . . ?
C94 C64 H64 118.9 . . ?
C100 C64 H64 118.9 . . ?
C100 C64 C94 122.2(13) . . ?
C81 C66 C83 120.5(13) . . ?
C81 C66 C13 119.8(12) . . ?
C13 C66 C83 119.6(13) . . ?
C4 C68 H68 118.2 . . ?
C4 C68 C102 123.6(13) . . ?
C102 C68 H68 118.2 . . ?
C22 C70 H70 118.7 . . ?
C22 C70 C57 122.6(14) . . ?
C57 C70 H70 118.7 . . ?
C91 C72 H72 118.4 . . ?
C51 C72 H72 118.4 . . ?
C51 C72 C91 123.3(14) . . ?
C23 C74 C16 121.8(12) . . ?
C23 C74 C99 121.0(12) . . ?
C99 C74 C16 117.2(12) . . ?
C87 C76 P1 123.5(11) . . ?
C87 C76 C49 116.5(13) . . ?
C49 C76 P1 120.0(10) . . ?
C28 C78 P3 121.7(10) . . ?
C125 C78 P3 117.4(10) . . ?
C125 C78 C28 120.5(12) . . ?
C38 C80 H80 118.8 . . ?
C38 C80 C53 122.5(13) . . ?
C53 C80 H80 118.8 . . ?
C1 C82 H82 121.6 . . ?
C146 C82 C1 116.7(13) . . ?
C146 C82 H82 121.6 . . ?
C46 C84 C107 118.3(12) . . ?
C111 C84 C46 118.3(13) . . ?
C111 C84 C107 123.4(12) . . ?
C126 C86 H86 118.8 . . ?
C126 C86 C77 122.4(15) . . ?
C77 C86 H86 118.8 . . ?
C32 C88 H88 118.2 . . ?
C32 C88 C41 123.5(14) . . ?
C41 C88 H88 118.2 . . ?
C10 C90 C34 120.1(12) . . ?
C10 C90 H90 120.0 . . ?
C34 C90 H90 120.0 . . ?
C30 C92 C5 122.4(13) . . ?
C106 C92 C30 118.6(12) . . ?
C106 C92 C5 118.9(13) . . ?
C64 C94 P2 118.6(9) . . ?
C64 C94 C140 118.2(11) . . ?
C140 C94 P2 123.2(10) . . ?
C132 C96 H96 119.4 . . ?
C45 C96 H96 119.4 . . ?
C45 C96 C132 121.2(16) . . ?
C40 C98 H98 119.3 . . ?
C40 C98 C140 121.4(13) . . ?
C140 C98 H98 119.3 . . ?
C40 C100 H100 120.7 . . ?
C64 C100 C40 118.7(14) . . ?
C64 C100 H100 120.7 . . ?
C68 C102 C36 118.3(11) . . ?
C68 C102 C142 124.8(13) . . ?
C142 C102 C36 116.8(13) . . ?
C36 C104 H104 118.7 . . ?
C108 C104 C36 122.6(13) . . ?
C108 C104 H104 118.7 . . ?
C62 C106 C25 120.7(13) . . ?
C92 C106 C62 120.5(13) . . ?
C92 C106 C25 118.8(12) . . ?
C104 C108 H108 120.4 . . ?
C104 C108 C65 119.2(14) . . ?
C65 C108 H108 120.4 . . ?
C54 C110 H110 120.1 . . ?
C54 C110 C138 119.8(13) . . ?
C138 C110 H110 120.1 . . ?
C12 C112 H112 119.1 . . ?
C113 C112 C12 121.7(15) . . ?
C113 C112 H112 119.1 . . ?
C24 C114 H114 118.9 . . ?
C81 C114 C24 122.2(12) . . ?
C81 C114 H114 118.9 . . ?
C22 C116 P4 118.3(11) . . ?
C55 C116 P4 122.4(11) . . ?
C55 C116 C22 119.3(13) . . ?
C18 C118 H118 119.3 . . ?
C18 C118 C19 121.4(13) . . ?
C19 C118 H118 119.3 . . ?
C87 C120 H120 117.7 . . ?
C95 C120 H120 117.7 . . ?
C95 C120 C87 124.7(14) . . ?
C44 C122 H122 120.8 . . ?
C44 C122 C133 118.4(13) . . ?
C133 C122 H122 120.8 . . ?
C99 C124 H124 116.9 . . ?
C117 C124 H124 116.9 . . ?
C117 C124 C99 126.1(15) . . ?
C52 C126 C86 119.6(14) . . ?
C52 C126 H126 120.2 . . ?
C86 C126 H126 120.2 . . ?
C34 C128 H128 119.9 . . ?
C97 C128 C34 120.2(15) . . ?
C97 C128 H128 119.9 . . ?
C46 C130 H130 121.0 . . ?
C105 C130 C46 117.9(14) . . ?
C105 C130 H130 121.0 . . ?
C20 C132 P4 120.8(11) . . ?
C20 C132 C96 117.9(13) . . ?
C96 C132 P4 121.0(11) . . ?
C144 C134 H134 120.5 . . ?
C144 C134 C37 118.9(13) . . ?
C37 C134 H134 120.5 . . ?
C10 C136 P3 111.3(9) . . ?
C16 C136 P3 129.2(10) . . ?
C16 C136 C10 119.4(11) . . ?
C110 C138 H138 119.1 . . ?
C73 C138 C110 121.7(15) . . ?
C73 C138 H138 119.1 . . ?
C94 C140 H140 120.5 . . ?
C98 C140 C94 119.0(12) . . ?
C98 C140 H140 120.5 . . ?
C102 C142 H142 118.4 . . ?
C65 C142 C102 123.2(13) . . ?
C65 C142 H142 118.4 . . ?
C134 C144 H144 118.4 . . ?
C134 C144 C13 123.2(13) . . ?
C13 C144 H144 118.4 . . ?
C82 C146 H146 118.2 . . ?
C82 C146 C21 123.7(13) . . ?
C21 C146 H146 118.2 . . ?
C26 C73 H73 120.9 . . ?
C138 C73 C26 118.3(13) . . ?
C138 C73 H73 120.9 . . ?
C134 C37 H37 119.7 . . ?
C83 C37 C134 120.7(13) . . ?
C83 C37 H37 119.7 . . ?
C77 C75 H75 120.8 . . ?
C77 C75 C89 118.4(14) . . ?
C89 C75 H75 120.8 . . ?
C118 C19 H19 120.3 . . ?
C53 C19 C118 119.4(13) . . ?
C53 C19 H19 120.3 . . ?
C86 C77 S1 123.4(11) . . ?
C86 C77 C75 118.4(13) . . ?
C75 C77 S1 118.2(11) . . ?
C56 C39 H39 118.5 . . ?
C56 C39 C47 123.0(13) . . ?
C47 C39 H39 118.5 . . ?
C46 C79 H79 120.0 . . ?
C93 C79 C46 120.1(12) . . ?
C93 C79 H79 120.0 . . ?
C92 C5 H5 119.4 . . ?
C109 C5 C92 121.1(14) . . ?
C109 C5 H5 119.4 . . ?
C66 C81 H81 119.5 . . ?
C114 C81 C66 120.9(12) . . ?
C114 C81 H81 119.5 . . ?
C88 C41 C11 122.8(14) . . ?
C88 C41 C99 119.1(13) . . ?
C11 C41 C99 117.8(13) . . ?
C66 C83 H83 120.3 . . ?
C37 C83 C66 119.4(13) . . ?
C37 C83 H83 120.3 . . ?
C60 C21 H21 120.0 . . ?
C146 C21 C60 120.0(12) . . ?
C146 C21 H21 120.0 . . ?
C26 C85 C54 119.0(14) . . ?
C26 C85 H85 120.5 . . ?
C54 C85 H85 120.5 . . ?
C20 C43 H43 121.7 . . ?
C20 C43 C101 116.7(15) . . ?
C101 C43 H43 121.7 . . ?
C76 C87 H87 120.2 . . ?
C120 C87 C76 119.5(13) . . ?
C120 C87 H87 120.2 . . ?
C41 C11 H11 118.6 . . ?
C27 C11 C41 122.8(14) . . ?
C27 C11 H11 118.6 . . ?
C52 C89 C75 120.5(15) . . ?
C52 C89 C29 122.5(13) . . ?
C75 C89 C29 117.0(13) . . ?
C96 C45 H45 120.4 . . ?
C96 C45 C101 119.2(16) . . ?
C101 C45 H45 120.4 . . ?
C56 C91 H91 120.5 . . ?
C72 C91 C56 119.0(13) . . ?
C72 C91 H91 120.5 . . ?
C32 C23 P6 118.6(10) . . ?
C74 C23 P6 122.2(10) . . ?
C74 C23 C32 119.1(13) . . ?
C42 C93 H93 119.5 . . ?
C79 C93 C42 121.1(12) . . ?
C79 C93 H93 119.5 . . ?
C39 C47 H47 121.1 . . ?
C51 C47 C39 117.8(13) . . ?
C51 C47 H47 121.1 . . ?
C120 C95 H95 121.5 . . ?
C120 C95 C103 117.1(14) . . ?
C103 C95 H95 121.5 . . ?
C1 C3 H3 119.6 . . ?
C60 C3 C1 120.8(12) . . ?
C60 C3 H3 119.6 . . ?
C128 C97 H97 119.0 . . ?
C128 C97 C113 122.0(14) . . ?
C113 C97 H97 119.0 . . ?
C76 C49 H49 118.8 . . ?
C103 C49 C76 122.3(13) . . ?
C103 C49 H49 118.8 . . ?
C74 C99 C41 118.5(12) . . ?
C124 C99 C74 124.8(13) . . ?
C124 C99 C41 116.7(13) . . ?
C50 C25 C106 119.5(14) . . ?
C50 C25 H25 120.2 . . ?
C106 C25 H25 120.2 . . ?
C43 C101 H101 119.5 . . ?
C45 C101 C43 121.1(13) . . ?
C45 C101 H101 119.5 . . ?
C72 C51 C47 119.2(14) . . ?
C72 C51 H51 120.4 . . ?
C47 C51 H51 120.4 . . ?
C95 C103 H103 120.1 . . ?
C49 C103 C95 119.7(14) . . ?
C49 C103 H103 120.1 . . ?
C58 C13 C144 122.3(12) . . ?
C66 C13 C58 119.6(12) . . ?
C66 C13 C144 118.1(12) . . ?
C130 C105 H105 118.5 . . ?
C7 C105 C130 123.0(14) . . ?
C7 C105 H105 118.5 . . ?
C80 C53 H53 120.4 . . ?
C19 C53 C80 119.2(13) . . ?
C19 C53 H53 120.4 . . ?
C42 C107 C6 125.5(11) . . ?
C42 C107 C84 118.6(11) . . ?
C84 C107 C6 115.7(11) . . ?
C11 C27 H27 120.9 . . ?
C11 C27 C117 118.2(15) . . ?
C117 C27 H27 120.9 . . ?
C50 C109 H109 119.5 . . ?
C5 C109 C50 121.0(14) . . ?
C5 C109 H109 119.5 . . ?
C116 C55 H55 118.0 . . ?
C116 C55 C115 123.9(15) . . ?
C115 C55 H55 118.0 . . ?
C84 C111 H111 119.2 . . ?
C7 C111 C84 121.5(14) . . ?
C7 C111 H111 119.2 . . ?
C105 C7 H7 120.0 . . ?
C111 C7 C105 119.9(14) . . ?
C111 C7 H7 120.0 . . ?
C112 C113 C97 119.1(15) . . ?
C112 C113 H113 120.5 . . ?
C97 C113 H113 120.5 . . ?
C70 C57 H57 120.3 . . ?
C70 C57 C115 119.4(14) . . ?
C115 C57 H57 120.3 . . ?
C55 C115 C57 115.9(15) . . ?
C55 C115 H115 122.1 . . ?
C57 C115 H115 122.1 . . ?
O1 C29 C89 118.3(14) . . ?
O1 C29 O4 126.3(17) . . ?
O4 C29 C89 115.2(15) . . ?
C124 C117 C27 118.1(16) . . ?
C124 C117 H117 120.9 . . ?
C27 C117 H117 120.9 . . ?
C15 C59 P5 117.1(10) . . ?
C15 C59 C127 118.5(14) . . ?
C127 C59 P5 123.2(11) . . ?
C123 C119 S2 119.2(10) . . ?
C67 C119 S2 119.8(12) . . ?
C67 C119 C123 121.0(13) . . ?
C59 C15 H15 119.2 . . ?
C59 C15 C9 121.6(14) . . ?
C9 C15 H15 119.2 . . ?
C127 C121 H121 119.5 . . ?
C127 C121 C145 121.0(13) . . ?
C145 C121 H121 119.5 . . ?
C63 C61 P6 118.3(11) . . ?
C33 C61 P6 119.8(10) . . ?
C33 C61 C63 121.6(12) . . ?
C119 C123 H123 122.4 . . ?
C17 C123 C119 115.2(13) . . ?
C17 C123 H123 122.4 . . ?
C2 C31 H31 120.9 . . ?
C71 C31 H31 120.9 . . ?
C71 C31 C2 118.2(15) . . ?
C78 C125 H125 119.0 . . ?
C78 C125 C133 122.0(12) . . ?
C133 C125 H125 119.0 . . ?
C61 C63 H63 120.7 . . ?
C135 C63 C61 118.7(14) . . ?
C135 C63 H63 120.7 . . ?
C59 C127 H127 119.3 . . ?
C121 C127 C59 121.4(14) . . ?
C121 C127 H127 119.3 . . ?
C31 C2 P6 116.2(12) . . ?
C129 C2 P6 125.8(11) . . ?
C129 C2 C31 118.0(13) . . ?
C2 C129 H129 119.3 . . ?
C2 C129 C143 121.4(16) . . ?
C143 C129 H129 119.3 . . ?
C108 C65 H65 119.9 . . ?
C142 C65 C108 120.2(13) . . ?
C142 C65 H65 119.9 . . ?
C33 C131 H131 118.7 . . ?
C141 C131 H131 118.7 . . ?
C141 C131 C33 122.6(15) . . ?
C61 C33 H33 121.4 . . ?
C131 C33 C61 117.1(14) . . ?
C131 C33 H33 121.4 . . ?
C122 C133 H133 121.0 . . ?
C125 C133 C122 118.0(13) . . ?
C125 C133 H133 121.0 . . ?
C119 C67 H67 119.1 . . ?
C119 C67 C137 121.9(15) . . ?
C137 C67 H67 119.1 . . ?
C63 C135 H135 119.5 . . ?
C141 C135 C63 121.0(15) . . ?
C141 C135 H135 119.5 . . ?
C123 C17 H17 118.6 . . ?
C139 C17 C123 122.8(16) . . ?
C139 C17 H17 118.6 . . ?
C67 C137 C69 121.8(16) . . ?
C67 C137 C139 118.6(15) . . ?
C139 C137 C69 119.5(15) . . ?
O2 C69 C137 114.0(16) . . ?
O3 C69 C137 120.7(17) . . ?
O3 C69 O2 124.4(17) . . ?
C17 C139 C137 120.5(15) . . ?
C17 C139 H139 119.7 . . ?
C137 C139 H139 119.7 . . ?
C71 C35 H35 118.9 . . ?
C143 C35 H35 118.9 . . ?
C143 C35 C71 122.3(15) . . ?
C131 C141 C135 118.7(13) . . ?
C131 C141 H141 120.6 . . ?
C135 C141 H141 120.6 . . ?
C31 C71 H71 119.9 . . ?
C35 C71 C31 120.3(16) . . ?
C35 C71 H71 119.9 . . ?
C129 C143 H143 120.3 . . ?
C35 C143 C129 119.5(17) . . ?
C35 C143 H143 120.3 . . ?
C15 C9 H9 120.2 . . ?
C145 C9 C15 119.7(13) . . ?
C145 C9 H9 120.2 . . ?
C121 C145 H145 121.2 . . ?
C9 C145 C121 117.6(13) . . ?
C9 C145 H145 121.2 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Au02 P3 C18 C38 -29.0(11) . . . . ?
Au02 P3 C18 C118 161.4(10) . . . . ?
Au02 P3 C78 C28 147.8(10) . . . . ?
Au02 P3 C78 C125 -24.2(11) . . . . ?
Au02 P3 C136 C10 -62.1(9) . . . . ?
Au02 P3 C136 C16 115.9(11) . . . . ?
Au03 P1 C14 C48 -145.8(9) . . . . ?
Au03 P1 C14 C62 44.2(12) . . . . ?
Au03 P1 C56 C39 -149.2(11) . . . . ?
Au03 P1 C56 C91 29.0(12) . . . . ?
Au03 P1 C76 C87 -137.3(10) . . . . ?
Au03 P1 C76 C49 41.9(12) . . . . ?
Au04 S2 C119 C123 43.7(12) . . . . ?
Au04 S2 C119 C67 -138.5(10) . . . . ?
Au05 S1 C77 C86 -6.6(12) . . . . ?
Au05 S1 C77 C75 171.6(9) . . . . ?
Au06 P6 C23 C32 -123.2(9) . . . . ?
Au06 P6 C23 C74 59.3(12) . . . . ?
Au06 P6 C61 C63 8.6(13) . . . . ?
Au06 P6 C61 C33 -176.6(10) . . . . ?
Au06 P6 C2 C31 44.3(13) . . . . ?
Au06 P6 C2 C129 -137.4(13) . . . . ?
Au07 S1 C77 C86 93.0(11) . . . . ?
Au07 S1 C77 C75 -88.8(11) . . . . ?
Au07 P5 C8 C4 -163.5(8) . . . . ?
Au07 P5 C8 C6 24.8(13) . . . . ?
Au07 P5 C54 C110 165.2(10) . . . . ?
Au07 P5 C54 C85 -18.0(11) . . . . ?
Au07 P5 C59 C15 -68.7(12) . . . . ?
Au07 P5 C59 C127 98.4(11) . . . . ?
Au08 S2 C119 C123 -59.7(11) . . . . ?
Au08 S2 C119 C67 118.0(11) . . . . ?
Au08 P4 C24 C58 87.5(11) . . . . ?
Au08 P4 C24 C114 -82.9(10) . . . . ?
Au08 P4 C116 C22 -27.1(12) . . . . ?
Au08 P4 C116 C55 156.3(10) . . . . ?
Au08 P4 C132 C20 -8.7(13) . . . . ?
Au08 P4 C132 C96 165.9(10) . . . . ?
Au1 P2 C1 C82 -172.4(10) . . . . ?
Au1 P2 C1 C3 9.2(12) . . . . ?
Au1 P2 C42 C93 -98.5(9) . . . . ?
Au1 P2 C42 C107 73.2(9) . . . . ?
Au1 P2 C94 C64 29.3(11) . . . . ?
Au1 P2 C94 C140 -152.6(10) . . . . ?
S2 C119 C123 C17 178.3(10) . . . . ?
S2 C119 C67 C137 179.9(12) . . . . ?
P1 C14 C48 C30 -170.6(10) . . . . ?
P1 C14 C62 C58 -13.0(18) . . . . ?
P1 C14 C62 C106 165.0(11) . . . . ?
P1 C56 C39 C47 177.3(11) . . . . ?
P1 C56 C91 C72 -177.8(11) . . . . ?
P1 C76 C87 C120 -177.8(10) . . . . ?
P1 C76 C49 C103 178.6(12) . . . . ?
P4 C24 C58 C62 10.9(17) . . . . ?
P4 C24 C58 C13 -174.4(10) . . . . ?
P4 C24 C114 C81 172.6(10) . . . . ?
P4 C116 C55 C115 175.9(12) . . . . ?
P6 C61 C63 C135 174.8(11) . . . . ?
P6 C61 C33 C131 -178.9(11) . . . . ?
P6 C2 C129 C143 178.7(13) . . . . ?
P3 C18 C38 C80 -166.2(10) . . . . ?
P3 C18 C118 C19 168.0(11) . . . . ?
P3 C78 C125 C133 174.0(10) . . . . ?
P2 C1 C82 C146 179.9(11) . . . . ?
P2 C1 C3 C60 178.6(11) . . . . ?
P2 C42 C93 C79 169.3(10) . . . . ?
P2 C42 C107 C6 15.5(16) . . . . ?
P2 C42 C107 C84 -169.6(9) . . . . ?
P2 C94 C140 C98 -179.0(11) . . . . ?
P5 C54 C110 C138 176.5(12) . . . . ?
P5 C54 C85 C26 -175.2(11) . . . . ?
P5 C59 C15 C9 173.6(11) . . . . ?
P5 C59 C127 C121 -172.7(11) . . . . ?
C1 P2 C42 C93 133.3(9) . . . . ?
C1 P2 C42 C107 -55.0(11) . . . . ?
C1 P2 C94 C64 153.3(10) . . . . ?
C1 P2 C94 C140 -28.5(13) . . . . ?
C1 C82 C146 C21 4(2) . . . . ?
C4 C68 C102 C36 -1(2) . . . . ?
C4 C68 C102 C142 176.6(14) . . . . ?
C6 C36 C102 C68 -2.2(19) . . . . ?
C6 C36 C102 C142 -179.5(12) . . . . ?
C6 C36 C104 C108 179.4(13) . . . . ?
C8 P5 C54 C110 -67.3(12) . . . . ?
C8 P5 C54 C85 109.5(11) . . . . ?
C8 P5 C59 C15 157.1(11) . . . . ?
C8 P5 C59 C127 -35.8(13) . . . . ?
C8 C4 C68 C102 0(2) . . . . ?
C8 C6 C36 C102 5.5(18) . . . . ?
C8 C6 C36 C104 -173.6(12) . . . . ?
C8 C6 C107 C42 -91.2(16) . . . . ?
C8 C6 C107 C84 93.8(15) . . . . ?
C12 C16 C74 C23 97.3(15) . . . . ?
C12 C16 C74 C99 -85.3(15) . . . . ?
C12 C16 C136 P3 178.6(10) . . . . ?
C12 C16 C136 C10 -3.6(18) . . . . ?
C12 C34 C90 C10 1(2) . . . . ?
C12 C34 C128 C97 -2(2) . . . . ?
C12 C112 C113 C97 -2(2) . . . . ?
C14 P1 C56 C39 -20.4(14) . . . . ?
C14 P1 C56 C91 157.8(11) . . . . ?
C14 P1 C76 C87 95.0(12) . . . . ?
C14 P1 C76 C49 -85.9(11) . . . . ?
C14 C62 C106 C92 4(2) . . . . ?
C14 C62 C106 C25 -174.4(12) . . . . ?
C16 C12 C34 C90 -2.9(19) . . . . ?
C16 C12 C34 C128 -179.9(13) . . . . ?
C16 C12 C112 C113 -178.1(14) . . . . ?
C16 C74 C23 P6 -6.3(17) . . . . ?
C16 C74 C23 C32 176.2(11) . . . . ?
C16 C74 C99 C124 4(2) . . . . ?
C16 C74 C99 C41 -174.3(11) . . . . ?
C18 P3 C78 C28 28.2(12) . . . . ?
C18 P3 C78 C125 -143.8(10) . . . . ?
C18 P3 C136 C10 60.8(10) . . . . ?
C18 P3 C136 C16 -121.2(12) . . . . ?
C18 C38 C80 C53 -1(2) . . . . ?
C18 C118 C19 C53 -4(2) . . . . ?
C20 C43 C101 C45 6(2) . . . . ?
C22 C70 C57 C115 0(2) . . . . ?
C22 C116 C55 C115 -1(2) . . . . ?
C24 P4 C116 C22 -149.1(10) . . . . ?
C24 P4 C116 C55 34.3(13) . . . . ?
C24 P4 C132 C20 118.6(12) . . . . ?
C24 P4 C132 C96 -66.8(13) . . . . ?
C24 C58 C62 C14 -90.7(16) . . . . ?
C24 C58 C62 C106 91.3(16) . . . . ?
C24 C58 C13 C66 4.4(19) . . . . ?
C24 C58 C13 C144 -178.1(12) . . . . ?
C24 C114 C81 C66 1(2) . . . . ?
C28 C44 C122 C133 4(2) . . . . ?
C28 C78 C125 C133 2(2) . . . . ?
C30 C92 C106 C62 1(2) . . . . ?
C30 C92 C106 C25 180.0(12) . . . . ?
C30 C92 C5 C109 -179.7(13) . . . . ?
C32 C88 C41 C11 -178.0(13) . . . . ?
C32 C88 C41 C99 -3(2) . . . . ?
C34 C12 C16 C74 179.5(12) . . . . ?
C34 C12 C16 C136 4.1(18) . . . . ?
C34 C12 C112 C113 1(2) . . . . ?
C34 C128 C97 C113 1(2) . . . . ?
C36 C6 C8 P5 165.1(9) . . . . ?
C36 C6 C8 C4 -6.2(19) . . . . ?
C36 C6 C107 C42 96.7(15) . . . . ?
C36 C6 C107 C84 -78.3(14) . . . . ?
C36 C102 C142 C65 1(2) . . . . ?
C36 C104 C108 C65 -1(2) . . . . ?
C38 C18 C118 C19 -1(2) . . . . ?
C38 C80 C53 C19 -4(2) . . . . ?
C40 C98 C140 C94 2(2) . . . . ?
C42 P2 C1 C82 -45.0(13) . . . . ?
C42 P2 C1 C3 136.6(10) . . . . ?
C42 P2 C94 C64 -91.7(11) . . . . ?
C42 P2 C94 C140 86.4(11) . . . . ?
C44 C28 C78 P3 -171.1(10) . . . . ?
C44 C28 C78 C125 0.6(19) . . . . ?
C44 C122 C133 C125 -1(2) . . . . ?
C46 C84 C107 C6 176.2(11) . . . . ?
C46 C84 C107 C42 0.8(17) . . . . ?
C46 C84 C111 C7 1(2) . . . . ?
C46 C130 C105 C7 5(2) . . . . ?
C46 C79 C93 C42 0.3(19) . . . . ?
C48 C14 C62 C58 177.3(12) . . . . ?
C48 C14 C62 C106 -5(2) . . . . ?
C48 C30 C92 C106 -7(2) . . . . ?
C48 C30 C92 C5 170.5(13) . . . . ?
C52 C89 C29 O1 -163.7(16) . . . . ?
C52 C89 C29 O4 11(2) . . . . ?
C54 P5 C8 C4 74.7(11) . . . . ?
C54 P5 C8 C6 -97.0(12) . . . . ?
C54 P5 C59 C15 51.3(12) . . . . ?
C54 P5 C59 C127 -141.6(12) . . . . ?
C54 C110 C138 C73 1(2) . . . . ?
C56 P1 C14 C48 86.9(11) . . . . ?
C56 P1 C14 C62 -83.1(11) . . . . ?
C56 P1 C76 C87 -12.7(13) . . . . ?
C56 P1 C76 C49 166.5(11) . . . . ?
C56 C39 C47 C51 2(2) . . . . ?
C58 C24 C114 C81 1.3(19) . . . . ?
C58 C62 C106 C92 -177.7(13) . . . . ?
C58 C62 C106 C25 4(2) . . . . ?
C62 C14 C48 C30 -1(2) . . . . ?
C62 C58 C13 C66 179.0(12) . . . . ?
C62 C58 C13 C144 -3.5(19) . . . . ?
C62 C106 C25 C50 175.4(14) . . . . ?
C64 C94 C140 C98 -1(2) . . . . ?
C68 C4 C8 P5 -168.2(11) . . . . ?
C68 C4 C8 C6 4(2) . . . . ?
C68 C102 C142 C65 -175.9(15) . . . . ?
C70 C22 C116 P4 -175.4(11) . . . . ?
C70 C22 C116 C55 1(2) . . . . ?
C70 C57 C115 C55 1(2) . . . . ?
C74 C16 C136 P3 3.5(19) . . . . ?
C74 C16 C136 C10 -178.7(11) . . . . ?
C76 P1 C14 C48 -21.3(12) . . . . ?
C76 P1 C14 C62 168.6(11) . . . . ?
C76 P1 C56 C39 88.1(13) . . . . ?
C76 P1 C56 C91 -93.8(11) . . . . ?
C76 C49 C103 C95 -1(2) . . . . ?
C78 P3 C18 C38 87.8(11) . . . . ?
C78 P3 C18 C118 -81.8(12) . . . . ?
C78 P3 C136 C10 171.3(9) . . . . ?
C78 P3 C136 C16 -10.8(14) . . . . ?
C78 C28 C44 C122 -4(2) . . . . ?
C78 C125 C133 C122 -2(2) . . . . ?
C82 C1 C3 C60 0(2) . . . . ?
C82 C146 C21 C60 -4(2) . . . . ?
C84 C46 C130 C105 -2(2) . . . . ?
C84 C46 C79 C93 2.2(19) . . . . ?
C84 C111 C7 C105 2(2) . . . . ?
C88 C32 C23 P6 179.7(10) . . . . ?
C88 C32 C23 C74 -2.7(18) . . . . ?
C88 C41 C11 C27 179.2(14) . . . . ?
C88 C41 C99 C74 -1.2(19) . . . . ?
C88 C41 C99 C124 -179.9(13) . . . . ?
C90 C10 C136 P3 -179.8(11) . . . . ?
C90 C10 C136 C16 2.0(19) . . . . ?
C90 C34 C128 C97 -178.6(15) . . . . ?
C92 C30 C48 C14 6(2) . . . . ?
C92 C106 C25 C50 -3(2) . . . . ?
C92 C5 C109 C50 3(2) . . . . ?
C94 P2 C1 C82 67.1(12) . . . . ?
C94 P2 C1 C3 -111.2(11) . . . . ?
C94 P2 C42 C93 19.6(10) . . . . ?
C94 P2 C42 C107 -168.7(9) . . . . ?
C94 C64 C100 C40 -4(2) . . . . ?
C96 C45 C101 C43 -5(2) . . . . ?
C98 C40 C100 C64 5(2) . . . . ?
C100 C40 C98 C140 -4(2) . . . . ?
C100 C64 C94 P2 -179.7(11) . . . . ?
C100 C64 C94 C140 2(2) . . . . ?
C102 C36 C104 C108 0(2) . . . . ?
C102 C142 C65 C108 -2(2) . . . . ?
C104 C36 C102 C68 177.0(12) . . . . ?
C104 C36 C102 C142 -0.4(18) . . . . ?
C104 C108 C65 C142 2(2) . . . . ?
C106 C92 C5 C109 -2(2) . . . . ?
C110 C54 C85 C26 2(2) . . . . ?
C110 C138 C73 C26 -2(2) . . . . ?
C112 C12 C16 C74 -1.2(19) . . . . ?
C112 C12 C16 C136 -176.6(12) . . . . ?
C112 C12 C34 C90 177.7(13) . . . . ?
C112 C12 C34 C128 1(2) . . . . ?
C114 C24 C58 C62 -178.8(11) . . . . ?
C114 C24 C58 C13 -4.0(18) . . . . ?
C116 P4 C24 C58 -149.8(11) . . . . ?
C116 P4 C24 C114 39.8(11) . . . . ?
C116 P4 C132 C20 -129.8(12) . . . . ?
C116 P4 C132 C96 44.8(13) . . . . ?
C116 C22 C70 C57 -1(2) . . . . ?
C116 C55 C115 C57 0(2) . . . . ?
C118 C18 C38 C80 3.8(19) . . . . ?
C118 C19 C53 C80 6(2) . . . . ?
C120 C95 C103 C49 4(2) . . . . ?
C126 C52 C89 C75 0(2) . . . . ?
C126 C52 C89 C29 -178.9(14) . . . . ?
C126 C86 C77 S1 171.3(10) . . . . ?
C126 C86 C77 C75 -6.8(19) . . . . ?
C128 C34 C90 C10 178.3(14) . . . . ?
C128 C97 C113 C112 1(2) . . . . ?
C130 C46 C84 C107 178.9(12) . . . . ?
C130 C46 C84 C111 -0.9(18) . . . . ?
C130 C46 C79 C93 -179.4(13) . . . . ?
C130 C105 C7 C111 -5(3) . . . . ?
C132 P4 C24 C58 -39.2(13) . . . . ?
C132 P4 C24 C114 150.4(10) . . . . ?
C132 P4 C116 C22 92.5(11) . . . . ?
C132 P4 C116 C55 -84.1(12) . . . . ?
C132 C20 C43 C101 -3(2) . . . . ?
C132 C96 C45 C101 1(2) . . . . ?
C134 C144 C13 C58 -179.1(13) . . . . ?
C134 C144 C13 C66 -2(2) . . . . ?
C134 C37 C83 C66 2(2) . . . . ?
C136 P3 C18 C38 -153.4(10) . . . . ?
C136 P3 C18 C118 36.9(13) . . . . ?
C136 P3 C78 C28 -82.3(11) . . . . ?
C136 P3 C78 C125 105.7(11) . . . . ?
C136 C10 C90 C34 -1(2) . . . . ?
C136 C16 C74 C23 -87.5(16) . . . . ?
C136 C16 C74 C99 90.0(16) . . . . ?
C144 C134 C37 C83 0(2) . . . . ?
C73 C26 C85 C54 -3(2) . . . . ?
C37 C134 C144 C13 0(2) . . . . ?
C75 C89 C29 O1 18(2) . . . . ?
C75 C89 C29 O4 -167.4(14) . . . . ?
C77 C86 C126 C52 3(2) . . . . ?
C77 C75 C89 C52 -3(2) . . . . ?
C77 C75 C89 C29 175.4(13) . . . . ?
C39 C56 C91 C72 1(2) . . . . ?
C39 C47 C51 C72 -3(2) . . . . ?
C79 C46 C84 C107 -2.7(18) . . . . ?
C79 C46 C84 C111 177.6(12) . . . . ?
C79 C46 C130 C105 179.9(13) . . . . ?
C5 C92 C106 C62 -176.1(13) . . . . ?
C5 C92 C106 C25 3(2) . . . . ?
C81 C66 C83 C37 179.3(13) . . . . ?
C81 C66 C13 C58 -2(2) . . . . ?
C81 C66 C13 C144 -179.6(12) . . . . ?
C41 C11 C27 C117 0(2) . . . . ?
C83 C66 C81 C114 176.6(13) . . . . ?
C83 C66 C13 C58 -179.4(12) . . . . ?
C83 C66 C13 C144 3.0(19) . . . . ?
C21 C60 C3 C1 0(2) . . . . ?
C85 C26 C73 C138 4(2) . . . . ?
C85 C54 C110 C138 0(2) . . . . ?
C43 C20 C132 P4 174.6(12) . . . . ?
C43 C20 C132 C96 0(2) . . . . ?
C87 C76 C49 C103 -2(2) . . . . ?
C87 C120 C95 C103 -3(2) . . . . ?
C11 C41 C99 C74 174.1(12) . . . . ?
C11 C41 C99 C124 -4.5(19) . . . . ?
C11 C27 C117 C124 -3(2) . . . . ?
C89 C52 C126 C86 1(2) . . . . ?
C89 C75 C77 S1 -171.7(10) . . . . ?
C89 C75 C77 C86 6.6(19) . . . . ?
C45 C96 C132 P4 -173.4(12) . . . . ?
C45 C96 C132 C20 1(2) . . . . ?
C91 C56 C39 C47 -1(2) . . . . ?
C91 C72 C51 C47 3(2) . . . . ?
C23 P6 C61 C63 141.1(11) . . . . ?
C23 P6 C61 C33 -44.1(13) . . . . ?
C23 P6 C2 C31 -80.9(13) . . . . ?
C23 P6 C2 C129 97.4(15) . . . . ?
C23 C32 C88 C41 5(2) . . . . ?
C23 C74 C99 C124 -178.3(13) . . . . ?
C23 C74 C99 C41 3.2(19) . . . . ?
C93 C42 C107 C6 -173.2(11) . . . . ?
C93 C42 C107 C84 1.7(17) . . . . ?
C95 C120 C87 C76 -1(2) . . . . ?
C3 C1 C82 C146 -2(2) . . . . ?
C3 C60 C21 C146 2(2) . . . . ?
C49 C76 C87 C120 3.0(19) . . . . ?
C99 C74 C23 P6 176.3(10) . . . . ?
C99 C74 C23 C32 -1.2(19) . . . . ?
C99 C124 C117 C27 2(2) . . . . ?
C99 C41 C11 C27 4(2) . . . . ?
C25 C50 C109 C5 -3(2) . . . . ?
C51 C72 C91 C56 -1(2) . . . . ?
C13 C58 C62 C14 94.6(16) . . . . ?
C13 C58 C62 C106 -83.3(17) . . . . ?
C13 C66 C81 C114 -1(2) . . . . ?
C13 C66 C83 C37 -3(2) . . . . ?
C107 C6 C8 P5 -7.0(18) . . . . ?
C107 C6 C8 C4 -178.3(12) . . . . ?
C107 C6 C36 C102 178.1(11) . . . . ?
C107 C6 C36 C104 -1.0(18) . . . . ?
C107 C42 C93 C79 -2.3(18) . . . . ?
C107 C84 C111 C7 -179.0(14) . . . . ?
C109 C50 C25 C106 4(2) . . . . ?
C111 C84 C107 C6 -4.1(18) . . . . ?
C111 C84 C107 C42 -179.5(12) . . . . ?
C117 C124 C99 C74 -176.9(14) . . . . ?
C117 C124 C99 C41 2(2) . . . . ?
C59 P5 C8 C4 -32.0(12) . . . . ?
C59 P5 C8 C6 156.2(11) . . . . ?
C59 P5 C54 C110 42.9(12) . . . . ?
C59 P5 C54 C85 -140.3(10) . . . . ?
C59 C15 C9 C145 -4(2) . . . . ?
C119 C123 C17 C139 1.7(19) . . . . ?
C119 C67 C137 C69 -176.2(15) . . . . ?
C119 C67 C137 C139 2(2) . . . . ?
C15 C59 C127 C121 -6(2) . . . . ?
C15 C9 C145 C121 1(2) . . . . ?
C61 P6 C23 C32 104.3(11) . . . . ?
C61 P6 C23 C74 -73.2(12) . . . . ?
C61 P6 C2 C31 168.5(12) . . . . ?
C61 P6 C2 C129 -13.2(16) . . . . ?
C61 C63 C135 C141 3(2) . . . . ?
C123 C119 C67 C137 -2(2) . . . . ?
C123 C17 C139 C137 -2(2) . . . . ?
C31 C2 C129 C143 -3(2) . . . . ?
C63 C61 C33 C131 -4(2) . . . . ?
C63 C135 C141 C131 -2(2) . . . . ?
C127 C59 C15 C9 6(2) . . . . ?
C127 C121 C145 C9 -1(2) . . . . ?
C2 P6 C23 C32 -5.6(12) . . . . ?
C2 P6 C23 C74 176.9(11) . . . . ?
C2 P6 C61 C63 -107.6(12) . . . . ?
C2 P6 C61 C33 67.1(13) . . . . ?
C2 C31 C71 C35 -3(3) . . . . ?
C2 C129 C143 C35 6(3) . . . . ?
C33 C61 C63 C135 0(2) . . . . ?
C33 C131 C141 C135 -2(2) . . . . ?
C67 C119 C123 C17 0.6(19) . . . . ?
C67 C137 C69 O2 -28(3) . . . . ?
C67 C137 C69 O3 162.3(17) . . . . ?
C67 C137 C139 C17 0(2) . . . . ?
C69 C137 C139 C17 178.5(15) . . . . ?
C139 C137 C69 O2 153.9(18) . . . . ?
C139 C137 C69 O3 -16(3) . . . . ?
C141 C131 C33 C61 5(2) . . . . ?
C71 C31 C2 P6 179.8(12) . . . . ?
C71 C31 C2 C129 1(2) . . . . ?
C71 C35 C143 C129 -7(3) . . . . ?
C143 C35 C71 C31 6(3) . . . . ?
C145 C121 C127 C59 3(2) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.186 -0.250 0.500 1332.7 397.5 ?
2 -0.734 0.250 0.000 1332.7 444.2 ?
3 0.200 0.197 0.398 12.3 0.0 ?
4 0.300 0.803 0.898 12.3 1.0 ?
5 0.700 0.303 0.602 12.3 1.6 ?
6 0.800 0.697 0.102 12.3 0.0 ?

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'

