# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2017

####################################################################### 
# 
# 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_c345
_database_code_depnum_ccdc_archive 'CCDC 1511913'
_audit_update_record             
;
2016-11-29 deposited with the CCDC.
2016-12-19 downloaded from the CCDC.
;
_audit_creation_date             2016-11-29
_audit_creation_method           
;
Olex2 1.2
(compiled 2016.11.07 svn.r3352 for OlexSys, GUI svn.r5261)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C108 H84 Au6 P6 S2'
_chemical_formula_sum            'C108 H84 Au6 P6 S2'
_chemical_formula_weight         2813.49
_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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 '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      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   14.730(3)
_cell_length_b                   28.092(6)
_cell_length_c                   29.978(6)
_cell_angle_alpha                90
_cell_angle_beta                 95.63(3)
_cell_angle_gamma                90
_cell_volume                     12345(4)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    10256
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.1691
_cell_measurement_theta_min      4.1633
_shelx_estimated_absorpt_T_max   0.7602
_shelx_estimated_absorpt_T_min   0.1595
_exptl_absorpt_coefficient_mu    7.252
_exptl_absorpt_correction_T_max  0.7602
_exptl_absorpt_correction_T_min  0.1595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   
; 
 ? 
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.514
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       needle
_exptl_crystal_F_000             5312
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1321
_diffrn_reflns_av_unetI/netI     0.1540
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            92928
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         4.172
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0655
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω rotations'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                12140
_reflns_number_total             22788
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;

_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.21 (release 14-08-2012 CrysAlis171 .NET)
(compiled Sep 14 2012,17:21:16)
;

_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'

_refine_diff_density_max         12.441
_refine_diff_density_min         -3.324
_refine_diff_density_rms         0.427
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    rigid
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         22788
_refine_ls_number_restraints     5
_refine_ls_R_factor_all          0.1980
_refine_ls_R_factor_gt           0.1363
_refine_ls_restrained_S_all      1.132
_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)+(0.2000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3504
_refine_ls_wR_factor_ref         0.3846
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Restrained distances
 C57-C58
 1.39 with sigma of 0.02
 C90-C89
 1.39 with sigma of 0.02
 C89-C91
 1.39 with sigma of 0.02
 C91-C92
 1.39 with sigma of 0.02
3. Restrained planarity
 C90, C89, C91, C92
 with sigma of 0.1
4.a Aromatic/amide H refined with riding coordinates:
 C8(H8), C9(H9), C10(H10), C11(H11), C12(H12), C56(H56), C55(H55), C53(H53),
 C52(H52), C26(H26), C50(H50), C49(H49), C48(H48), C47(H47), C46(H46), C73(H73),
  C140(H140), C76(H76), C74(H74), C44(H44), C43(H43), C42(H42), C41(H41),
 C40(H40), C34(H34), C35(H35), C37(H37), C38(H38), C2(H2), C3(H3), C4(H4),
 C5(H5), C6(H6), C23(H23), C25(H25), C28(H28), C32(H32), C31(H31), C30(H30),
 C29(H29), C98(H98), C97(H97), C96(H96), C95(H95), C94(H94), C91(H91), C22(H22),
  C14(H14), C18(H18), C17(H17), C15(H15), C58(H58), C24(H24), C90(H90),
 C82(H82), C81(H81), C80(H80), C79(H79), C78(H78), C59(H59), C92(H92),
 C106(H106), C88(H88), C87(H87), C86(H86), C85(H85), C84(H84), C20(H20),
 C71(H71), C70(H70), C69(H69), C68(H68), C67(H67), C107(H107), C65(H65),
 C61(H61), C62(H62), C63(H63), C64(H64), C100(H100), C101(H101), C102(H102),
 C103(H103), C104(H104)
4.b Fitted hexagon refined as free rotating group:
 C7(C8,C9,C10,C11,C12), C51(C56,C55,C54,C53,C52), C45(C50,C49,C48,C47,C46),
 C73(C72,C140,C76,C75,C74), C39(C44,C43,C42,C41,C40), C33(C34,C35,C36,C37,C38),
 C1(C2,C3,C4,C5,C6), C28(C27,C32,C31,C30,C29), C93(C98,C97,C96,C95,C94),
 C14(C13,C18,C17,C16,C15), C77(C82,C81,C80,C79,C78), C83(C88,C87,C86,C85,C84),
 C66(C71,C70,C69,C68,C67), C65(C60,C61,C62,C63,C64), C99(C100,C101,C102,C103,
 C104)
;
_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
Au6 Au 0.63285(9) 0.47859(3) 0.73143(4) 0.0422(3) Uani 1 1 d . . . . .
Au1 Au 0.39582(8) 0.53612(3) 0.80874(4) 0.0396(3) Uani 1 1 d . . . . .
Au2 Au 0.53608(8) 0.53471(3) 0.89575(3) 0.0357(3) Uani 1 1 d . . . . .
Au5 Au 0.60430(10) 0.48165(4) 0.62734(4) 0.0513(4) Uani 1 1 d . . . . .
Au4 Au 0.44167(10) 0.48018(4) 0.67864(4) 0.0560(4) Uani 1 1 d . . . . .
Au3 Au 0.61558(8) 0.54567(3) 0.80602(4) 0.0357(3) Uani 1 1 d . . . . .
S1 S 0.5214(6) 0.48703(19) 0.8320(2) 0.0420(18) Uani 1 1 d . . . . .
P6 P 0.7064(5) 0.4202(2) 0.7723(3) 0.0400(18) Uani 1 1 d . . . . .
P2 P 0.5411(6) 0.5860(2) 0.9538(2) 0.0369(17) Uani 1 1 d . . . . .
S2 S 0.5631(6) 0.5339(2) 0.6826(3) 0.052(2) Uani 1 1 d . . . . .
P5 P 0.6393(6) 0.4307(2) 0.5735(3) 0.0435(19) Uani 1 1 d . . . . .
P3 P 0.7085(5) 0.6056(2) 0.7857(3) 0.0416(19) Uani 1 1 d . . . . .
P4 P 0.3194(7) 0.4306(3) 0.6674(3) 0.055(2) Uani 1 1 d . . . . .
P1 P 0.2713(6) 0.5798(2) 0.7887(3) 0.0457(19) Uani 1 1 d . . . . .
C7 C 0.1722(13) 0.5511(7) 0.8079(7) 0.042(7) Uiso 1 1 d . . . . .
C8 C 0.1437(14) 0.5080(7) 0.7886(6) 0.054(8) Uiso 1 1 d G . . . .
H8 H 0.1725 0.4957 0.7649 0.065 Uiso 1 1 calc R . . . .
C9 C 0.0720(14) 0.4832(6) 0.8048(7) 0.058(8) Uiso 1 1 d G . . . .
H9 H 0.0529 0.4544 0.7919 0.069 Uiso 1 1 calc R . . . .
C10 C 0.0290(14) 0.5016(8) 0.8403(8) 0.079(11) Uiso 1 1 d G . . . .
H10 H -0.0190 0.4851 0.8511 0.095 Uiso 1 1 calc R . . . .
C11 C 0.0575(17) 0.5447(9) 0.8596(7) 0.093(13) Uiso 1 1 d G . . . .
H11 H 0.0287 0.5570 0.8833 0.112 Uiso 1 1 calc R . . . .
C12 C 0.1292(16) 0.5695(7) 0.8434(7) 0.089(12) Uiso 1 1 d G . . . .
H12 H 0.1483 0.5983 0.8563 0.107 Uiso 1 1 calc R . . . .
C51 C 0.6339(10) 0.6587(5) 0.7689(6) 0.028(5) Uiso 1 1 d . . . . .
C56 C 0.5393(11) 0.6554(4) 0.7653(6) 0.041(7) Uiso 1 1 d G . . . .
H56 H 0.5114 0.6261 0.7686 0.049 Uiso 1 1 calc R . . . .
C55 C 0.4864(9) 0.6960(6) 0.7567(6) 0.037(6) Uiso 1 1 d G . . . .
H55 H 0.4231 0.6938 0.7543 0.044 Uiso 1 1 calc R . . . .
C54 C 0.5281(12) 0.7398(5) 0.7516(6) 0.035(6) Uiso 1 1 d G . . . .
C53 C 0.6227(12) 0.7430(5) 0.7552(7) 0.079(11) Uiso 1 1 d G . . . .
H53 H 0.6506 0.7723 0.7519 0.094 Uiso 1 1 calc R . . . .
C52 C 0.6756(9) 0.7025(6) 0.7639(7) 0.062(9) Uiso 1 1 d G . . . .
H52 H 0.7389 0.7046 0.7663 0.074 Uiso 1 1 calc R . . . .
C21 C 0.6117(18) 0.5670(8) 1.0068(8) 0.031(6) Uiso 1 1 d . . . . .
C26 C 0.570(2) 0.5702(10) 1.0466(9) 0.047(7) Uiso 1 1 d . . . . .
H26 H 0.5097 0.5792 1.0468 0.056 Uiso 1 1 calc R . . . .
C45 C 0.7685(12) 0.5932(6) 0.7386(5) 0.043(7) Uiso 1 1 d . . . . .
C50 C 0.7407(12) 0.6121(6) 0.6966(6) 0.049(7) Uiso 1 1 d G . . . .
H50 H 0.6899 0.6318 0.6928 0.059 Uiso 1 1 calc R . . . .
C49 C 0.7889(14) 0.6014(7) 0.6602(5) 0.075(11) Uiso 1 1 d G . . . .
H49 H 0.7703 0.6140 0.6321 0.090 Uiso 1 1 calc R . . . .
C48 C 0.8649(14) 0.5719(8) 0.6659(5) 0.057(8) Uiso 1 1 d G . . . .
H48 H 0.8971 0.5647 0.6415 0.068 Uiso 1 1 calc R . . . .
C47 C 0.8927(11) 0.5530(7) 0.7079(7) 0.066(9) Uiso 1 1 d G . . . .
H47 H 0.9435 0.5332 0.7116 0.079 Uiso 1 1 calc R . . . .
C46 C 0.8445(13) 0.5637(6) 0.7442(5) 0.037(6) Uiso 1 1 d G . . . .
H46 H 0.8631 0.5511 0.7723 0.044 Uiso 1 1 calc R . . . .
C73 C 0.4217(12) 0.3533(6) 0.6466(6) 0.049(8) Uiso 1 1 d . . . . .
H73 H 0.4661 0.3668 0.6669 0.059 Uiso 1 1 calc R . . . .
C72 C 0.3424(14) 0.3784(5) 0.6331(7) 0.051(8) Uiso 1 1 d G . . . .
C140 C 0.2761(12) 0.3582(7) 0.6027(7) 0.077(11) Uiso 1 1 d G . . . .
H140 H 0.2231 0.3750 0.5937 0.092 Uiso 1 1 calc R . . . .
C76 C 0.2891(12) 0.3129(7) 0.5858(6) 0.064(9) Uiso 1 1 d G . . . .
H76 H 0.2448 0.2994 0.5654 0.077 Uiso 1 1 calc R . . . .
C75 C 0.3684(14) 0.2878(5) 0.5993(6) 0.042(7) Uiso 1 1 d G . . . .
C74 C 0.4347(11) 0.3080(6) 0.6297(7) 0.056(8) Uiso 1 1 d G . . . .
H74 H 0.4878 0.2912 0.6387 0.067 Uiso 1 1 calc R . . . .
C39 C 0.7952(12) 0.6243(7) 0.8303(5) 0.039(7) Uiso 1 1 d . . . . .
C44 C 0.8731(14) 0.6491(7) 0.8216(5) 0.060(9) Uiso 1 1 d G . . . .
H44 H 0.8830 0.6566 0.7922 0.072 Uiso 1 1 calc R . . . .
C43 C 0.9364(12) 0.6627(8) 0.8567(8) 0.072(10) Uiso 1 1 d G . . . .
H43 H 0.9885 0.6793 0.8509 0.086 Uiso 1 1 calc R . . . .
C42 C 0.9217(14) 0.6515(8) 0.9006(6) 0.087(12) Uiso 1 1 d G . . . .
H42 H 0.9640 0.6606 0.9241 0.104 Uiso 1 1 calc R . . . .
C41 C 0.8437(16) 0.6267(8) 0.9093(5) 0.073(10) Uiso 1 1 d G . . . .
H41 H 0.8339 0.6192 0.9387 0.087 Uiso 1 1 calc R . . . .
C40 C 0.7805(12) 0.6130(7) 0.8742(6) 0.047(7) Uiso 1 1 d G . . . .
H40 H 0.7283 0.5964 0.8800 0.056 Uiso 1 1 calc R . . . .
C33 C 0.5853(13) 0.6430(4) 0.9376(5) 0.032(6) Uiso 1 1 d . . . . .
C34 C 0.5646(12) 0.6586(5) 0.8938(5) 0.029(6) Uiso 1 1 d G . . . .
H34 H 0.5366 0.6381 0.8724 0.035 Uiso 1 1 calc R . . . .
C35 C 0.5858(12) 0.7049(5) 0.8821(4) 0.034(6) Uiso 1 1 d G . . . .
H35 H 0.5719 0.7153 0.8527 0.041 Uiso 1 1 calc R . . . .
C36 C 0.6277(14) 0.7356(4) 0.9141(6) 0.041(7) Uiso 1 1 d G . . . .
C37 C 0.6484(14) 0.7200(6) 0.9580(5) 0.057(8) Uiso 1 1 d G . . . .
H37 H 0.6764 0.7405 0.9794 0.068 Uiso 1 1 calc R . . . .
C38 C 0.6272(14) 0.6737(6) 0.9697(4) 0.052(8) Uiso 1 1 d G . . . .
H38 H 0.6411 0.6633 0.9990 0.062 Uiso 1 1 calc R . . . .
C1 C 0.2461(15) 0.5895(7) 0.7302(5) 0.056(8) Uiso 1 1 d . . . . .
C2 C 0.3199(12) 0.5919(8) 0.7047(7) 0.053(8) Uiso 1 1 d G . . . .
H2 H 0.3785 0.5856 0.7178 0.064 Uiso 1 1 calc R . . . .
C3 C 0.3061(14) 0.6038(8) 0.6595(7) 0.091(13) Uiso 1 1 d G . . . .
H3 H 0.3554 0.6054 0.6424 0.109 Uiso 1 1 calc R . . . .
C4 C 0.2185(16) 0.6132(8) 0.6398(5) 0.063(9) Uiso 1 1 d G . . . .
H4 H 0.2093 0.6211 0.6096 0.076 Uiso 1 1 calc R . . . .
C5 C 0.1448(12) 0.6108(8) 0.6653(7) 0.066(9) Uiso 1 1 d G . . . .
H5 H 0.0862 0.6171 0.6522 0.079 Uiso 1 1 calc R . . . .
C6 C 0.1586(13) 0.5990(8) 0.7105(7) 0.061(9) Uiso 1 1 d G . . . .
H6 H 0.1092 0.5974 0.7276 0.073 Uiso 1 1 calc R . . . .
C23 C 0.761(2) 0.5475(9) 1.0444(9) 0.045(7) Uiso 1 1 d . . . . .
H23 H 0.8234 0.5416 1.0443 0.054 Uiso 1 1 calc R . . . .
C25 C 0.6260(17) 0.5589(8) 1.0873(8) 0.031(6) Uiso 1 1 d . . . . .
H25 H 0.6018 0.5589 1.1149 0.037 Uiso 1 1 calc R . . . .
C89 C 0.6477(17) 0.3707(8) 0.5927(7) 0.038(6) Uiso 1 1 d D . . . .
C28 C 0.3598(13) 0.5694(5) 0.9557(6) 0.049(7) Uiso 1 1 d . . . . .
H28 H 0.3725 0.5397 0.9440 0.058 Uiso 1 1 calc R . . . .
C27 C 0.4302(10) 0.6014(7) 0.9670(7) 0.053(8) Uiso 1 1 d G . . . .
C32 C 0.4112(11) 0.6458(6) 0.9845(6) 0.050(8) Uiso 1 1 d G . . . .
H32 H 0.4583 0.6672 0.9921 0.060 Uiso 1 1 calc R . . . .
C31 C 0.3219(13) 0.6581(5) 0.9905(6) 0.050(8) Uiso 1 1 d G . . . .
H31 H 0.3092 0.6878 1.0021 0.060 Uiso 1 1 calc R . . . .
C30 C 0.2515(10) 0.6260(7) 0.9791(7) 0.052(8) Uiso 1 1 d G . . . .
H30 H 0.1917 0.6343 0.9831 0.062 Uiso 1 1 calc R . . . .
C29 C 0.2705(11) 0.5817(6) 0.9617(6) 0.054(8) Uiso 1 1 d G . . . .
H29 H 0.2234 0.5602 0.9541 0.065 Uiso 1 1 calc R . . . .
C93 C 0.7296(13) 0.4306(6) 0.8320(5) 0.041(7) Uiso 1 1 d . . . . .
C98 C 0.6939(13) 0.4034(6) 0.8649(6) 0.045(7) Uiso 1 1 d G . . . .
H98 H 0.6573 0.3772 0.8568 0.054 Uiso 1 1 calc R . . . .
C97 C 0.7131(16) 0.4153(7) 0.9098(6) 0.079(11) Uiso 1 1 d G . . . .
H97 H 0.6893 0.3971 0.9318 0.094 Uiso 1 1 calc R . . . .
C96 C 0.7679(16) 0.4544(8) 0.9219(5) 0.067(10) Uiso 1 1 d G . . . .
H96 H 0.7807 0.4624 0.9519 0.081 Uiso 1 1 calc R . . . .
C95 C 0.8035(14) 0.4816(6) 0.8890(6) 0.056(8) Uiso 1 1 d G . . . .
H95 H 0.8402 0.5078 0.8971 0.067 Uiso 1 1 calc R . . . .
C94 C 0.7844(14) 0.4697(6) 0.8441(6) 0.048(7) Uiso 1 1 d G . . . .
H94 H 0.8082 0.4879 0.8220 0.057 Uiso 1 1 calc R . . . .
C91 C 0.6411(17) 0.3299(7) 0.5655(9) 0.048(7) Uiso 1 1 d D . . . .
H91 H 0.6269 0.3333 0.5347 0.058 Uiso 1 1 calc R . . . .
C22 C 0.6913(17) 0.5577(8) 1.0023(8) 0.032(6) Uiso 1 1 d . . . . .
H22 H 0.7108 0.5566 0.9737 0.038 Uiso 1 1 calc R . . . .
C14 C 0.2266(12) 0.6778(6) 0.7952(5) 0.049(8) Uiso 1 1 d . . . . .
H14 H 0.1866 0.6736 0.7695 0.059 Uiso 1 1 calc R . . . .
C13 C 0.2753(13) 0.6392(5) 0.8142(6) 0.049(8) Uiso 1 1 d G . . . .
C18 C 0.3351(12) 0.6455(5) 0.8526(6) 0.030(6) Uiso 1 1 d G . . . .
H18 H 0.3677 0.6197 0.8652 0.035 Uiso 1 1 calc R . . . .
C17 C 0.3462(12) 0.6903(6) 0.8720(5) 0.048(7) Uiso 1 1 d G . . . .
H17 H 0.3862 0.6945 0.8977 0.058 Uiso 1 1 calc R . . . .
C16 C 0.2974(14) 0.7289(5) 0.8530(6) 0.050(8) Uiso 1 1 d G . . . .
C15 C 0.2376(13) 0.7226(5) 0.8146(6) 0.055(8) Uiso 1 1 d G . . . .
H15 H 0.2050 0.7484 0.8019 0.066 Uiso 1 1 calc R . . . .
C58 C 0.3781(15) 0.7803(9) 0.7348(8) 0.033(6) Uiso 1 1 d D . . . .
H58 H 0.3483 0.7513 0.7369 0.040 Uiso 1 1 calc R . . . .
C24 C 0.709(2) 0.5491(11) 1.0845(11) 0.061(9) Uiso 1 1 d . . . . .
H24 H 0.7422 0.5417 1.1115 0.073 Uiso 1 1 calc R . . . .
C90 C 0.6656(18) 0.3621(9) 0.6381(7) 0.039(6) Uiso 1 1 d D . . . .
H90 H 0.6615 0.3878 0.6573 0.047 Uiso 1 1 calc R . . . .
C57 C 0.4715(15) 0.7818(9) 0.7410(9) 0.038(6) Uiso 1 1 d D . . . .
C77 C 0.5594(13) 0.4291(7) 0.5254(5) 0.050(8) Uiso 1 1 d . . . . .
C82 C 0.5822(11) 0.4354(7) 0.4819(6) 0.032(6) Uiso 1 1 d G . . . .
H82 H 0.6421 0.4422 0.4768 0.038 Uiso 1 1 calc R . . . .
C81 C 0.5154(15) 0.4317(7) 0.4459(5) 0.086(12) Uiso 1 1 d G . . . .
H81 H 0.5306 0.4360 0.4168 0.103 Uiso 1 1 calc R . . . .
C80 C 0.4258(13) 0.4217(8) 0.4535(6) 0.056(8) Uiso 1 1 d G . . . .
H80 H 0.3811 0.4192 0.4295 0.067 Uiso 1 1 calc R . . . .
C79 C 0.4030(11) 0.4153(9) 0.4970(8) 0.100(14) Uiso 1 1 d G . . . .
H79 H 0.3431 0.4085 0.5021 0.121 Uiso 1 1 calc R . . . .
C78 C 0.4698(15) 0.4190(8) 0.5330(6) 0.073(10) Uiso 1 1 d G . . . .
H78 H 0.4546 0.4147 0.5621 0.087 Uiso 1 1 calc R . . . .
C59 C 0.3282(18) 0.8207(8) 0.7255(8) 0.031(6) Uiso 1 1 d . . . . .
H59 H 0.2680 0.8165 0.7137 0.037 Uiso 1 1 calc R . . . .
C19 C 0.318(2) 0.7779(10) 0.8740(10) 0.047(7) Uiso 1 1 d . . . . .
C105 C 0.6427(18) 0.3664(9) 0.7681(8) 0.035(6) Uiso 1 1 d . . . . .
C92 C 0.6552(17) 0.2846(8) 0.5835(8) 0.034(6) Uiso 1 1 d D . . . .
H92 H 0.6455 0.2583 0.5648 0.041 Uiso 1 1 calc R . . . .
C106 C 0.548(2) 0.3663(10) 0.7612(9) 0.045(7) Uiso 1 1 d . . . . .
H106 H 0.5180 0.3956 0.7599 0.054 Uiso 1 1 calc R . . . .
C83 C 0.7481(12) 0.4420(7) 0.5562(7) 0.046(7) Uiso 1 1 d . . . . .
C88 C 0.7959(16) 0.4042(6) 0.5398(7) 0.067(10) Uiso 1 1 d G . . . .
H88 H 0.7691 0.3743 0.5369 0.080 Uiso 1 1 calc R . . . .
C87 C 0.8836(15) 0.4113(8) 0.5277(8) 0.095(13) Uiso 1 1 d G . . . .
H87 H 0.9156 0.3860 0.5168 0.114 Uiso 1 1 calc R . . . .
C86 C 0.9236(13) 0.4561(9) 0.5321(8) 0.071(10) Uiso 1 1 d G . . . .
H86 H 0.9823 0.4608 0.5240 0.085 Uiso 1 1 calc R . . . .
C85 C 0.8758(16) 0.4938(7) 0.5485(9) 0.115(16) Uiso 1 1 d G . . . .
H85 H 0.9025 0.5238 0.5514 0.138 Uiso 1 1 calc R . . . .
C84 C 0.7880(15) 0.4868(6) 0.5606(8) 0.059(9) Uiso 1 1 d G . . . .
H84 H 0.7561 0.5121 0.5716 0.071 Uiso 1 1 calc R . . . .
C20 C 0.310(3) 0.8170(12) 0.8422(12) 0.067(10) Uiso 1 1 d . . . . .
H20 H 0.2913 0.8131 0.8120 0.081 Uiso 1 1 calc R . . . .
C66 C 0.2352(16) 0.4637(8) 0.6357(8) 0.048(7) Uiso 1 1 d . . . . .
C71 C 0.1502(18) 0.4685(9) 0.6516(7) 0.092(13) Uiso 1 1 d G . . . .
H71 H 0.1385 0.4537 0.6782 0.110 Uiso 1 1 calc R . . . .
C70 C 0.0826(15) 0.4954(10) 0.6278(10) 0.128(18) Uiso 1 1 d G . . . .
H70 H 0.0257 0.4986 0.6384 0.154 Uiso 1 1 calc R . . . .
C69 C 0.1000(18) 0.5175(9) 0.5880(9) 0.092(13) Uiso 1 1 d G . . . .
H69 H 0.0548 0.5355 0.5721 0.110 Uiso 1 1 calc R . . . .
C68 C 0.185(2) 0.5128(9) 0.5721(7) 0.082(12) Uiso 1 1 d G . . . .
H68 H 0.1968 0.5276 0.5455 0.098 Uiso 1 1 calc R . . . .
C67 C 0.2527(15) 0.4859(9) 0.5959(8) 0.102(14) Uiso 1 1 d G . . . .
H67 H 0.3096 0.4827 0.5853 0.123 Uiso 1 1 calc R . . . .
C107 C 0.497(3) 0.3279(11) 0.7565(11) 0.063(9) Uiso 1 1 d . . . . .
H107 H 0.4341 0.3322 0.7509 0.075 Uiso 1 1 calc R . . . .
C65 C 0.3094(16) 0.4219(7) 0.7585(8) 0.083(12) Uiso 1 1 d . . . . .
H65 H 0.3457 0.4490 0.7608 0.100 Uiso 1 1 calc R . . . .
C60 C 0.2781(16) 0.4039(7) 0.7166(6) 0.050(8) Uiso 1 1 d G . . . .
C61 C 0.2238(15) 0.3634(7) 0.7133(5) 0.064(9) Uiso 1 1 d G . . . .
H61 H 0.2029 0.3513 0.6853 0.077 Uiso 1 1 calc R . . . .
C62 C 0.2008(15) 0.3408(6) 0.7519(7) 0.051(8) Uiso 1 1 d G . . . .
H62 H 0.1644 0.3137 0.7497 0.062 Uiso 1 1 calc R . . . .
C63 C 0.2320(17) 0.3588(8) 0.7938(6) 0.072(10) Uiso 1 1 d G . . . .
H63 H 0.2166 0.3437 0.8196 0.087 Uiso 1 1 calc R . . . .
C64 C 0.2863(18) 0.3993(9) 0.7971(6) 0.094(13) Uiso 1 1 d G . . . .
H64 H 0.3073 0.4114 0.8252 0.113 Uiso 1 1 calc R . . . .
C99 C 0.8152(14) 0.4080(8) 0.7533(7) 0.043(7) Uiso 1 1 d . . . . .
C100 C 0.8340(15) 0.4246(8) 0.7116(7) 0.082(11) Uiso 1 1 d G . . . .
H100 H 0.7928 0.4447 0.6953 0.098 Uiso 1 1 calc R . . . .
C101 C 0.9144(18) 0.4114(9) 0.6942(7) 0.075(11) Uiso 1 1 d G . . . .
H101 H 0.9270 0.4226 0.6663 0.090 Uiso 1 1 calc R . . . .
C102 C 0.9759(15) 0.3815(10) 0.7186(10) 0.101(14) Uiso 1 1 d G . . . .
H102 H 1.0297 0.3726 0.7070 0.121 Uiso 1 1 calc R . . . .
C103 C 0.9571(17) 0.3648(9) 0.7603(10) 0.13(2) Uiso 1 1 d G . . . .
H103 H 0.9982 0.3448 0.7767 0.162 Uiso 1 1 calc R . . . .
C104 C 0.8767(19) 0.3780(9) 0.7777(7) 0.095(13) Uiso 1 1 d G . . . .
H104 H 0.8641 0.3669 0.8057 0.115 Uiso 1 1 calc R . . . .


_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
Au6 Au5 3.1086(18) . ?
Au6 Au4 3.092(2) . ?
Au6 Au3 2.9540(15) . ?
Au6 P6 2.260(8) . ?
Au6 S2 2.306(8) . ?
Au1 Au2 3.1650(19) . ?
Au1 Au3 3.2573(17) . ?
Au1 S1 2.358(7) . ?
Au1 P1 2.239(8) . ?
Au2 Au3 3.0530(16) . ?
Au2 S1 2.325(7) . ?
Au2 P2 2.256(7) . ?
Au5 Au4 2.971(2) . ?
Au5 S2 2.337(8) . ?
Au5 P5 2.253(7) . ?
Au4 S2 2.335(8) . ?
Au4 P4 2.276(9) . ?
Au3 S1 2.336(7) . ?
Au3 P3 2.289(7) . ?
P6 C93 1.813(16) . ?
P6 C105 1.77(3) . ?
P6 C99 1.79(2) . ?
P2 C21 1.89(3) . ?
P2 C33 1.813(13) . ?
P2 C27 1.772(16) . ?
P5 C89 1.78(2) . ?
P5 C77 1.770(17) . ?
P5 C83 1.761(19) . ?
P3 C51 1.891(14) . ?
P3 C45 1.773(16) . ?
P3 C39 1.834(17) . ?
P4 C72 1.842(16) . ?
P4 C66 1.75(2) . ?
P4 C60 1.812(18) . ?
P1 C7 1.810(18) . ?
P1 C1 1.779(17) . ?
P1 C13 1.834(14) . ?
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 . ?
C12 H12 0.9300 . ?
C51 C56 1.3900 . ?
C51 C52 1.3900 . ?
C56 H56 0.9300 . ?
C56 C55 1.3900 . ?
C55 H55 0.9300 . ?
C55 C54 1.3900 . ?
C54 C53 1.3900 . ?
C54 C57 1.46(3) . ?
C53 H53 0.9300 . ?
C53 C52 1.3900 . ?
C52 H52 0.9300 . ?
C21 C26 1.40(4) . ?
C21 C22 1.22(3) . ?
C26 H26 0.9300 . ?
C26 C25 1.44(4) . ?
C45 C50 1.3900 . ?
C45 C46 1.3900 . ?
C50 H50 0.9300 . ?
C50 C49 1.3900 . ?
C49 H49 0.9300 . ?
C49 C48 1.3900 . ?
C48 H48 0.9300 . ?
C48 C47 1.3900 . ?
C47 H47 0.9300 . ?
C47 C46 1.3900 . ?
C46 H46 0.9300 . ?
C73 H73 0.9300 . ?
C73 C72 1.3900 . ?
C73 C74 1.3900 . ?
C72 C140 1.3900 . ?
C140 H140 0.9300 . ?
C140 C76 1.3900 . ?
C76 H76 0.9300 . ?
C76 C75 1.3900 . ?
C75 C74 1.3900 . ?
C75 C36 1.52(11) 2_646 ?
C74 H74 0.9300 . ?
C39 C44 1.3900 . ?
C39 C40 1.3900 . ?
C44 H44 0.9300 . ?
C44 C43 1.3900 . ?
C43 H43 0.9300 . ?
C43 C42 1.3900 . ?
C42 H42 0.9300 . ?
C42 C41 1.3900 . ?
C41 H41 0.9300 . ?
C41 C40 1.3900 . ?
C40 H40 0.9300 . ?
C33 C34 1.3900 . ?
C33 C38 1.3900 . ?
C34 H34 0.9300 . ?
C34 C35 1.3900 . ?
C35 H35 0.9300 . ?
C35 C36 1.3900 . ?
C36 C75 1.52(7) 2_656 ?
C36 C37 1.3900 . ?
C37 H37 0.9300 . ?
C37 C38 1.3900 . ?
C38 H38 0.9300 . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 H2 0.9300 . ?
C2 C3 1.3900 . ?
C3 H3 0.9300 . ?
C3 C4 1.3900 . ?
C4 H4 0.9300 . ?
C4 C5 1.3900 . ?
C5 H5 0.9300 . ?
C5 C6 1.3900 . ?
C6 H6 0.9300 . ?
C23 H23 0.9300 . ?
C23 C22 1.58(4) . ?
C23 C24 1.49(4) . ?
C25 H25 0.9300 . ?
C25 C24 1.26(4) . ?
C89 C91 1.403(18) . ?
C89 C90 1.381(17) . ?
C28 H28 0.9300 . ?
C28 C27 1.3900 . ?
C28 C29 1.3900 . ?
C27 C32 1.3900 . ?
C32 H32 0.9300 . ?
C32 C31 1.3900 . ?
C31 H31 0.9300 . ?
C31 C30 1.3900 . ?
C30 H30 0.9300 . ?
C30 C29 1.3900 . ?
C29 H29 0.9300 . ?
C93 C98 1.3900 . ?
C93 C94 1.3900 . ?
C98 H98 0.9300 . ?
C98 C97 1.3900 . ?
C97 H97 0.9300 . ?
C97 C96 1.3900 . ?
C96 H96 0.9300 . ?
C96 C95 1.3900 . ?
C95 H95 0.9300 . ?
C95 C94 1.3900 . ?
C94 H94 0.9300 . ?
C91 H91 0.9300 . ?
C91 C92 1.391(17) . ?
C22 H22 0.9300 . ?
C14 H14 0.9300 . ?
C14 C13 1.3900 . ?
C14 C15 1.3900 . ?
C13 C18 1.3900 . ?
C18 H18 0.9300 . ?
C18 C17 1.3900 . ?
C17 H17 0.9300 . ?
C17 C16 1.3900 . ?
C16 C15 1.3900 . ?
C16 C19 1.53(3) . ?
C15 H15 0.9300 . ?
C58 H58 0.9300 . ?
C58 C57 1.372(18) . ?
C58 C59 1.37(3) . ?
C24 H24 0.9300 . ?
C90 H90 0.9300 . ?
C90 C20 1.43(4) 2_646 ?
C57 C107 1.37(4) 2_656 ?
C77 C82 1.3900 . ?
C77 C78 1.3900 . ?
C82 H82 0.9300 . ?
C82 C81 1.3900 . ?
C81 H81 0.9300 . ?
C81 C80 1.3900 . ?
C80 H80 0.9300 . ?
C80 C79 1.3900 . ?
C79 H79 0.9300 . ?
C79 C78 1.3900 . ?
C78 H78 0.9300 . ?
C59 H59 0.9300 . ?
C59 C105 1.36(3) 2_656 ?
C19 C92 1.31(3) 2_656 ?
C19 C20 1.45(4) . ?
C105 C59 1.36(3) 2_646 ?
C105 C106 1.40(4) . ?
C92 C19 1.31(3) 2_646 ?
C92 H92 0.9300 . ?
C106 H106 0.9300 . ?
C106 C107 1.31(4) . ?
C83 C88 1.3900 . ?
C83 C84 1.3900 . ?
C88 H88 0.9300 . ?
C88 C87 1.3900 . ?
C87 H87 0.9300 . ?
C87 C86 1.3900 . ?
C86 H86 0.9300 . ?
C86 C85 1.3900 . ?
C85 H85 0.9300 . ?
C85 C84 1.3900 . ?
C84 H84 0.9300 . ?
C20 C90 1.43(4) 2_656 ?
C20 H20 0.9300 . ?
C66 C71 1.3900 . ?
C66 C67 1.3900 . ?
C71 H71 0.9300 . ?
C71 C70 1.3900 . ?
C70 H70 0.9300 . ?
C70 C69 1.3900 . ?
C69 H69 0.9300 . ?
C69 C68 1.3900 . ?
C68 H68 0.9300 . ?
C68 C67 1.3900 . ?
C67 H67 0.9300 . ?
C107 C57 1.37(4) 2_646 ?
C107 H107 0.9300 . ?
C65 H65 0.9300 . ?
C65 C60 1.3900 . ?
C65 C64 1.3900 . ?
C60 C61 1.3900 . ?
C61 H61 0.9300 . ?
C61 C62 1.3900 . ?
C62 H62 0.9300 . ?
C62 C63 1.3900 . ?
C63 H63 0.9300 . ?
C63 C64 1.3900 . ?
C64 H64 0.9300 . ?
C99 C100 1.3900 . ?
C99 C104 1.3900 . ?
C100 H100 0.9300 . ?
C100 C101 1.3900 . ?
C101 H101 0.9300 . ?
C101 C102 1.3900 . ?
C102 H102 0.9300 . ?
C102 C103 1.3900 . ?
C103 H103 0.9300 . ?
C103 C104 1.3900 . ?
C104 H104 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
Au4 Au6 Au5 57.26(5) . . ?
Au3 Au6 Au5 136.80(4) . . ?
Au3 Au6 Au4 103.68(5) . . ?
P6 Au6 Au5 125.07(18) . . ?
P6 Au6 Au4 130.68(19) . . ?
P6 Au6 Au3 97.20(18) . . ?
P6 Au6 S2 173.4(3) . . ?
S2 Au6 Au5 48.39(19) . . ?
S2 Au6 Au4 48.6(2) . . ?
S2 Au6 Au3 89.14(19) . . ?
Au2 Au1 Au3 56.75(4) . . ?
S1 Au1 Au2 47.05(17) . . ?
S1 Au1 Au3 45.78(18) . . ?
P1 Au1 Au2 132.8(2) . . ?
P1 Au1 Au3 137.6(2) . . ?
P1 Au1 S1 176.6(3) . . ?
Au3 Au2 Au1 63.15(4) . . ?
S1 Au2 Au1 47.92(18) . . ?
S1 Au2 Au3 49.24(18) . . ?
P2 Au2 Au1 126.70(19) . . ?
P2 Au2 Au3 128.98(18) . . ?
P2 Au2 S1 174.4(2) . . ?
Au4 Au5 Au6 61.10(5) . . ?
S2 Au5 Au6 47.55(19) . . ?
S2 Au5 Au4 50.5(2) . . ?
P5 Au5 Au6 133.11(19) . . ?
P5 Au5 Au4 127.9(2) . . ?
P5 Au5 S2 178.2(3) . . ?
Au5 Au4 Au6 61.65(5) . . ?
S2 Au4 Au6 47.8(2) . . ?
S2 Au4 Au5 50.5(2) . . ?
P4 Au4 Au6 137.3(2) . . ?
P4 Au4 Au5 126.8(2) . . ?
P4 Au4 S2 174.0(3) . . ?
Au6 Au3 Au1 97.24(5) . . ?
Au6 Au3 Au2 132.18(4) . . ?
Au2 Au3 Au1 60.10(4) . . ?
S1 Au3 Au6 84.32(16) . . ?
S1 Au3 Au1 46.34(18) . . ?
S1 Au3 Au2 48.93(17) . . ?
P3 Au3 Au6 99.74(19) . . ?
P3 Au3 Au1 133.53(18) . . ?
P3 Au3 Au2 126.9(2) . . ?
P3 Au3 S1 175.8(3) . . ?
Au2 S1 Au1 85.0(2) . . ?
Au2 S1 Au3 81.8(2) . . ?
Au3 S1 Au1 87.9(2) . . ?
C93 P6 Au6 116.8(7) . . ?
C105 P6 Au6 110.9(9) . . ?
C105 P6 C93 104.7(11) . . ?
C105 P6 C99 107.4(11) . . ?
C99 P6 Au6 111.4(8) . . ?
C99 P6 C93 104.9(10) . . ?
C21 P2 Au2 116.2(8) . . ?
C33 P2 Au2 110.1(6) . . ?
C33 P2 C21 107.0(10) . . ?
C27 P2 Au2 111.5(7) . . ?
C27 P2 C21 109.0(11) . . ?
C27 P2 C33 102.0(9) . . ?
Au6 S2 Au5 84.1(3) . . ?
Au6 S2 Au4 83.6(2) . . ?
Au4 S2 Au5 79.0(2) . . ?
C89 P5 Au5 112.6(8) . . ?
C77 P5 Au5 114.8(7) . . ?
C77 P5 C89 104.9(10) . . ?
C83 P5 Au5 112.0(8) . . ?
C83 P5 C89 103.2(11) . . ?
C83 P5 C77 108.4(10) . . ?
C51 P3 Au3 107.7(6) . . ?
C45 P3 Au3 115.2(7) . . ?
C45 P3 C51 105.3(9) . . ?
C45 P3 C39 105.7(10) . . ?
C39 P3 Au3 114.1(7) . . ?
C39 P3 C51 108.3(9) . . ?
C72 P4 Au4 112.6(8) . . ?
C66 P4 Au4 105.2(8) . . ?
C66 P4 C72 106.2(11) . . ?
C66 P4 C60 112.7(13) . . ?
C60 P4 Au4 117.2(8) . . ?
C60 P4 C72 102.7(10) . . ?
C7 P1 Au1 109.6(7) . . ?
C7 P1 C13 105.5(10) . . ?
C1 P1 Au1 115.8(8) . . ?
C1 P1 C7 106.6(10) . . ?
C1 P1 C13 105.4(10) . . ?
C13 P1 Au1 113.3(7) . . ?
C8 C7 P1 118.5(12) . . ?
C8 C7 C12 120.0 . . ?
C12 C7 P1 121.4(12) . . ?
C7 C8 H8 120.0 . . ?
C7 C8 C9 120.0 . . ?
C9 C8 H8 120.0 . . ?
C8 C9 H9 120.0 . . ?
C8 C9 C10 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 H12 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
C56 C51 P3 121.4(10) . . ?
C56 C51 C52 120.0 . . ?
C52 C51 P3 118.4(10) . . ?
C51 C56 H56 120.0 . . ?
C55 C56 C51 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C55 H55 120.0 . . ?
C54 C55 C56 120.0 . . ?
C54 C55 H55 120.0 . . ?
C55 C54 C53 120.0 . . ?
C55 C54 C57 119.3(15) . . ?
C53 C54 C57 120.6(15) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 C54 120.0 . . ?
C52 C53 H53 120.0 . . ?
C51 C52 H52 120.0 . . ?
C53 C52 C51 120.0 . . ?
C53 C52 H52 120.0 . . ?
C26 C21 P2 117(2) . . ?
C22 C21 P2 115(2) . . ?
C22 C21 C26 128(3) . . ?
C21 C26 H26 121.6 . . ?
C21 C26 C25 117(3) . . ?
C25 C26 H26 121.6 . . ?
C50 C45 P3 121.4(11) . . ?
C50 C45 C46 120.0 . . ?
C46 C45 P3 118.6(11) . . ?
C45 C50 H50 120.0 . . ?
C45 C50 C49 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C49 H49 120.0 . . ?
C48 C49 C50 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C48 H48 120.0 . . ?
C49 C48 C47 120.0 . . ?
C47 C48 H48 120.0 . . ?
C48 C47 H47 120.0 . . ?
C46 C47 C48 120.0 . . ?
C46 C47 H47 120.0 . . ?
C45 C46 H46 120.0 . . ?
C47 C46 C45 120.0 . . ?
C47 C46 H46 120.0 . . ?
C72 C73 H73 120.0 . . ?
C72 C73 C74 120.0 . . ?
C74 C73 H73 120.0 . . ?
C73 C72 P4 115.9(12) . . ?
C73 C72 C140 120.0 . . ?
C140 C72 P4 122.4(12) . . ?
C72 C140 H140 120.0 . . ?
C72 C140 C76 120.0 . . ?
C76 C140 H140 120.0 . . ?
C140 C76 H76 120.0 . . ?
C75 C76 C140 120.0 . . ?
C75 C76 H76 120.0 . . ?
C76 C75 C74 120.0 . . ?
C76 C75 C36 118(6) . 2_646 ?
C74 C75 C36 122(6) . 2_646 ?
C73 C74 H74 120.0 . . ?
C75 C74 C73 120.0 . . ?
C75 C74 H74 120.0 . . ?
C44 C39 P3 122.4(11) . . ?
C44 C39 C40 120.0 . . ?
C40 C39 P3 117.6(11) . . ?
C39 C44 H44 120.0 . . ?
C43 C44 C39 120.0 . . ?
C43 C44 H44 120.0 . . ?
C44 C43 H43 120.0 . . ?
C44 C43 C42 120.0 . . ?
C42 C43 H43 120.0 . . ?
C43 C42 H42 120.0 . . ?
C43 C42 C41 120.0 . . ?
C41 C42 H42 120.0 . . ?
C42 C41 H41 120.0 . . ?
C42 C41 C40 120.0 . . ?
C40 C41 H41 120.0 . . ?
C39 C40 H40 120.0 . . ?
C41 C40 C39 120.0 . . ?
C41 C40 H40 120.0 . . ?
C34 C33 P2 118.7(9) . . ?
C34 C33 C38 120.0 . . ?
C38 C33 P2 120.6(9) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 C34 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C75 116(6) . 2_656 ?
C35 C36 C37 120.0 . . ?
C37 C36 C75 123(6) . 2_656 ?
C36 C37 H37 120.0 . . ?
C38 C37 C36 120.0 . . ?
C38 C37 H37 120.0 . . ?
C33 C38 H38 120.0 . . ?
C37 C38 C33 120.0 . . ?
C37 C38 H38 120.0 . . ?
C2 C1 P1 116.8(13) . . ?
C2 C1 C6 120.0 . . ?
C6 C1 P1 122.9(12) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 C1 120.0 . . ?
C3 C2 H2 120.0 . . ?
C2 C3 H3 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.0 . . ?
C5 C4 H4 120.0 . . ?
C4 C5 H5 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C1 C6 H6 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C22 C23 H23 126.6 . . ?
C24 C23 H23 126.6 . . ?
C24 C23 C22 107(3) . . ?
C26 C25 H25 121.2 . . ?
C24 C25 C26 118(3) . . ?
C24 C25 H25 121.2 . . ?
C91 C89 P5 125.9(17) . . ?
C90 C89 P5 118.9(17) . . ?
C90 C89 C91 115(2) . . ?
C27 C28 H28 120.0 . . ?
C27 C28 C29 120.0 . . ?
C29 C28 H28 120.0 . . ?
C28 C27 P2 118.0(11) . . ?
C28 C27 C32 120.0 . . ?
C32 C27 P2 121.8(11) . . ?
C27 C32 H32 120.0 . . ?
C31 C32 C27 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C31 H31 120.0 . . ?
C32 C31 C30 120.0 . . ?
C30 C31 H31 120.0 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 C31 120.0 . . ?
C29 C30 H30 120.0 . . ?
C28 C29 H29 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C98 C93 P6 124.3(10) . . ?
C98 C93 C94 120.0 . . ?
C94 C93 P6 115.7(10) . . ?
C93 C98 H98 120.0 . . ?
C93 C98 C97 120.0 . . ?
C97 C98 H98 120.0 . . ?
C98 C97 H97 120.0 . . ?
C98 C97 C96 120.0 . . ?
C96 C97 H97 120.0 . . ?
C97 C96 H96 120.0 . . ?
C97 C96 C95 120.0 . . ?
C95 C96 H96 120.0 . . ?
C96 C95 H95 120.0 . . ?
C94 C95 C96 120.0 . . ?
C94 C95 H95 120.0 . . ?
C93 C94 H94 120.0 . . ?
C95 C94 C93 120.0 . . ?
C95 C94 H94 120.0 . . ?
C89 C91 H91 119.2 . . ?
C92 C91 C89 122(2) . . ?
C92 C91 H91 119.2 . . ?
C21 C22 C23 121(2) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C13 C14 H14 120.0 . . ?
C13 C14 C15 120.0 . . ?
C15 C14 H14 120.0 . . ?
C14 C13 P1 123.0(10) . . ?
C18 C13 P1 116.8(10) . . ?
C18 C13 C14 120.0 . . ?
C13 C18 H18 120.0 . . ?
C13 C18 C17 120.0 . . ?
C17 C18 H18 120.0 . . ?
C18 C17 H17 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C17 C16 C15 120.0 . . ?
C17 C16 C19 117.2(16) . . ?
C15 C16 C19 122.6(16) . . ?
C14 C15 H15 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C57 C58 H58 119.5 . . ?
C59 C58 H58 119.5 . . ?
C59 C58 C57 121(2) . . ?
C23 C24 H24 115.0 . . ?
C25 C24 C23 130(3) . . ?
C25 C24 H24 115.0 . . ?
C89 C90 H90 117.4 . . ?
C89 C90 C20 125(3) . 2_646 ?
C20 C90 H90 117.4 2_646 . ?
C58 C57 C54 123(2) . . ?
C58 C57 C107 112(3) . 2_656 ?
C107 C57 C54 124(2) 2_656 . ?
C82 C77 P5 124.0(12) . . ?
C82 C77 C78 120.0 . . ?
C78 C77 P5 116.0(12) . . ?
C77 C82 H82 120.0 . . ?
C81 C82 C77 120.0 . . ?
C81 C82 H82 120.0 . . ?
C82 C81 H81 120.0 . . ?
C82 C81 C80 120.0 . . ?
C80 C81 H81 120.0 . . ?
C81 C80 H80 120.0 . . ?
C79 C80 C81 120.0 . . ?
C79 C80 H80 120.0 . . ?
C80 C79 H79 120.0 . . ?
C80 C79 C78 120.0 . . ?
C78 C79 H79 120.0 . . ?
C77 C78 H78 120.0 . . ?
C79 C78 C77 120.0 . . ?
C79 C78 H78 120.0 . . ?
C58 C59 H59 116.6 . . ?
C105 C59 C58 127(3) 2_656 . ?
C105 C59 H59 116.6 2_656 . ?
C92 C19 C16 124(2) 2_656 . ?
C92 C19 C20 122(3) 2_656 . ?
C20 C19 C16 114(3) . . ?
C59 C105 P6 129(2) 2_646 . ?
C59 C105 C106 108(2) 2_646 . ?
C106 C105 P6 122(2) . . ?
C91 C92 H92 119.1 . . ?
C19 C92 C91 122(2) 2_646 . ?
C19 C92 H92 119.1 2_646 . ?
C105 C106 H106 117.6 . . ?
C107 C106 C105 125(3) . . ?
C107 C106 H106 117.6 . . ?
C88 C83 P5 118.3(13) . . ?
C88 C83 C84 120.0 . . ?
C84 C83 P5 121.7(13) . . ?
C83 C88 H88 120.0 . . ?
C83 C88 C87 120.0 . . ?
C87 C88 H88 120.0 . . ?
C88 C87 H87 120.0 . . ?
C88 C87 C86 120.0 . . ?
C86 C87 H87 120.0 . . ?
C87 C86 H86 120.0 . . ?
C85 C86 C87 120.0 . . ?
C85 C86 H86 120.0 . . ?
C86 C85 H85 120.0 . . ?
C84 C85 C86 120.0 . . ?
C84 C85 H85 120.0 . . ?
C83 C84 H84 120.0 . . ?
C85 C84 C83 120.0 . . ?
C85 C84 H84 120.0 . . ?
C90 C20 C19 114(3) 2_656 . ?
C90 C20 H20 123.2 2_656 . ?
C19 C20 H20 123.2 . . ?
C71 C66 P4 118.5(15) . . ?
C71 C66 C67 120.0 . . ?
C67 C66 P4 121.5(16) . . ?
C66 C71 H71 120.0 . . ?
C70 C71 C66 120.0 . . ?
C70 C71 H71 120.0 . . ?
C71 C70 H70 120.0 . . ?
C71 C70 C69 120.0 . . ?
C69 C70 H70 120.0 . . ?
C70 C69 H69 120.0 . . ?
C68 C69 C70 120.0 . . ?
C68 C69 H69 120.0 . . ?
C69 C68 H68 120.0 . . ?
C69 C68 C67 120.0 . . ?
C67 C68 H68 120.0 . . ?
C66 C67 H67 120.0 . . ?
C68 C67 C66 120.0 . . ?
C68 C67 H67 120.0 . . ?
C57 C107 H107 117.2 2_646 . ?
C106 C107 C57 126(3) . 2_646 ?
C106 C107 H107 117.2 . . ?
C60 C65 H65 120.0 . . ?
C60 C65 C64 120.0 . . ?
C64 C65 H65 120.0 . . ?
C65 C60 P4 118.5(13) . . ?
C61 C60 P4 121.2(13) . . ?
C61 C60 C65 120.0 . . ?
C60 C61 H61 120.0 . . ?
C60 C61 C62 120.0 . . ?
C62 C61 H61 120.0 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 C61 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 H63 120.0 . . ?
C64 C63 C62 120.0 . . ?
C64 C63 H63 120.0 . . ?
C65 C64 H64 120.0 . . ?
C63 C64 C65 120.0 . . ?
C63 C64 H64 120.0 . . ?
C100 C99 P6 119.1(14) . . ?
C100 C99 C104 120.0 . . ?
C104 C99 P6 120.5(14) . . ?
C99 C100 H100 120.0 . . ?
C99 C100 C101 120.0 . . ?
C101 C100 H100 120.0 . . ?
C100 C101 H101 120.0 . . ?
C102 C101 C100 120.0 . . ?
C102 C101 H101 120.0 . . ?
C101 C102 H102 120.0 . . ?
C101 C102 C103 120.0 . . ?
C103 C102 H102 120.0 . . ?
C102 C103 H103 120.0 . . ?
C104 C103 C102 120.0 . . ?
C104 C103 H103 120.0 . . ?
C99 C104 H104 120.0 . . ?
C103 C104 C99 120.0 . . ?
C103 C104 H104 120.0 . . ?

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
Au6 P6 C93 C98 117.0(11) . . . . ?
Au6 P6 C93 C94 -60.7(12) . . . . ?
Au6 P6 C105 C59 157(2) . . . 2_646 ?
Au6 P6 C105 C106 -30(2) . . . . ?
Au6 P6 C99 C100 -15.8(14) . . . . ?
Au6 P6 C99 C104 171.0(11) . . . . ?
Au1 P1 C7 C8 -67.3(12) . . . . ?
Au1 P1 C7 C12 107.9(12) . . . . ?
Au1 P1 C1 C2 -31.4(13) . . . . ?
Au1 P1 C1 C6 154.7(9) . . . . ?
Au1 P1 C13 C14 155.0(9) . . . . ?
Au1 P1 C13 C18 -20.7(13) . . . . ?
Au2 P2 C21 C26 -130.3(18) . . . . ?
Au2 P2 C21 C22 56(2) . . . . ?
Au2 P2 C33 C34 34.3(12) . . . . ?
Au2 P2 C33 C38 -155.3(9) . . . . ?
Au2 P2 C27 C28 25.3(12) . . . . ?
Au2 P2 C27 C32 -148.8(9) . . . . ?
Au5 P5 C89 C91 159.6(16) . . . . ?
Au5 P5 C89 C90 -23(2) . . . . ?
Au5 P5 C77 C82 126.6(11) . . . . ?
Au5 P5 C77 C78 -55.8(11) . . . . ?
Au5 P5 C83 C88 151.9(10) . . . . ?
Au5 P5 C83 C84 -25.2(14) . . . . ?
Au4 P4 C72 C73 50.3(12) . . . . ?
Au4 P4 C72 C140 -144.7(10) . . . . ?
Au4 P4 C66 C71 -125.5(13) . . . . ?
Au4 P4 C66 C67 53.1(14) . . . . ?
Au4 P4 C60 C65 13.0(15) . . . . ?
Au4 P4 C60 C61 -160.5(11) . . . . ?
Au3 P3 C51 C56 -7.4(11) . . . . ?
Au3 P3 C51 C52 167.2(8) . . . . ?
Au3 P3 C45 C50 102.6(10) . . . . ?
Au3 P3 C45 C46 -76.9(12) . . . . ?
Au3 P3 C39 C44 160.5(10) . . . . ?
Au3 P3 C39 C40 -20.0(13) . . . . ?
P6 C93 C98 C97 -177.6(16) . . . . ?
P6 C93 C94 C95 177.8(14) . . . . ?
P6 C105 C106 C107 178(3) . . . . ?
P6 C99 C100 C101 -173.3(17) . . . . ?
P6 C99 C104 C103 173.2(17) . . . . ?
P2 C21 C26 C25 -175.8(18) . . . . ?
P2 C21 C22 C23 172.4(17) . . . . ?
P2 C33 C34 C35 170.5(14) . . . . ?
P2 C33 C38 C37 -170.3(14) . . . . ?
P2 C27 C32 C31 174.0(15) . . . . ?
P5 C89 C91 C92 175(2) . . . . ?
P5 C89 C90 C20 -169(3) . . . 2_646 ?
P5 C77 C82 C81 177.6(15) . . . . ?
P5 C77 C78 C79 -177.8(14) . . . . ?
P5 C83 C88 C87 -177.1(16) . . . . ?
P5 C83 C84 C85 177.0(16) . . . . ?
P3 C51 C56 C55 174.5(13) . . . . ?
P3 C51 C52 C53 -174.6(13) . . . . ?
P3 C45 C50 C49 -179.5(15) . . . . ?
P3 C45 C46 C47 179.5(15) . . . . ?
P3 C39 C44 C43 179.5(15) . . . . ?
P3 C39 C40 C41 -179.5(14) . . . . ?
P4 C72 C140 C76 -164.4(15) . . . . ?
P4 C66 C71 C70 178.6(17) . . . . ?
P4 C66 C67 C68 -178.5(18) . . . . ?
P4 C60 C61 C62 173.4(18) . . . . ?
P1 C7 C8 C9 175.3(15) . . . . ?
P1 C7 C12 C11 -175.1(16) . . . . ?
P1 C1 C2 C3 -174.2(15) . . . . ?
P1 C1 C6 C5 173.8(16) . . . . ?
P1 C13 C18 C17 175.8(15) . . . . ?
C7 P1 C1 C2 -153.5(12) . . . . ?
C7 P1 C1 C6 32.5(14) . . . . ?
C7 P1 C13 C14 -85.1(13) . . . . ?
C7 P1 C13 C18 99.2(12) . . . . ?
C7 C8 C9 C10 0.0 . . . . ?
C8 C7 C12 C11 0.0 . . . . ?
C8 C9 C10 C11 0.0 . . . . ?
C9 C10 C11 C12 0.0 . . . . ?
C10 C11 C12 C7 0.0 . . . . ?
C12 C7 C8 C9 0.0 . . . . ?
C51 P3 C45 C50 -16.0(13) . . . . ?
C51 P3 C45 C46 164.6(11) . . . . ?
C51 P3 C39 C44 -79.6(13) . . . . ?
C51 P3 C39 C40 99.9(12) . . . . ?
C51 C56 C55 C54 0.0 . . . . ?
C56 C51 C52 C53 0.0 . . . . ?
C56 C55 C54 C53 0.0 . . . . ?
C56 C55 C54 C57 177.8(19) . . . . ?
C55 C54 C53 C52 0.0 . . . . ?
C55 C54 C57 C58 -1(3) . . . . ?
C55 C54 C57 C107 167(2) . . . 2_656 ?
C54 C53 C52 C51 0.0 . . . . ?
C53 C54 C57 C58 176.6(19) . . . . ?
C53 C54 C57 C107 -15(3) . . . 2_656 ?
C52 C51 C56 C55 0.0 . . . . ?
C21 P2 C33 C34 161.5(12) . . . . ?
C21 P2 C33 C38 -28.1(14) . . . . ?
C21 P2 C27 C28 -104.4(12) . . . . ?
C21 P2 C27 C32 81.5(13) . . . . ?
C21 C26 C25 C24 3(4) . . . . ?
C26 C21 C22 C23 0(4) . . . . ?
C26 C25 C24 C23 1(5) . . . . ?
C45 P3 C51 C56 116.1(11) . . . . ?
C45 P3 C51 C52 -69.3(12) . . . . ?
C45 P3 C39 C44 32.9(14) . . . . ?
C45 P3 C39 C40 -147.6(11) . . . . ?
C45 C50 C49 C48 0.0 . . . . ?
C50 C45 C46 C47 0.0 . . . . ?
C50 C49 C48 C47 0.0 . . . . ?
C49 C48 C47 C46 0.0 . . . . ?
C48 C47 C46 C45 0.0 . . . . ?
C46 C45 C50 C49 0.0 . . . . ?
C73 C72 C140 C76 0.0 . . . . ?
C72 P4 C66 C71 115.0(15) . . . . ?
C72 P4 C66 C67 -66.5(16) . . . . ?
C72 P4 C60 C65 137.0(13) . . . . ?
C72 P4 C60 C61 -36.6(16) . . . . ?
C72 C73 C74 C75 0.0 . . . . ?
C72 C140 C76 C75 0.0 . . . . ?
C140 C76 C75 C74 0.0 . . . . ?
C140 C76 C75 C36 170(6) . . . 2_646 ?
C76 C75 C74 C73 0.0 . . . . ?
C75 C36 C37 C38 168(8) 2_656 . . . ?
C74 C73 C72 P4 165.4(14) . . . . ?
C74 C73 C72 C140 0.0 . . . . ?
C39 P3 C51 C56 -131.2(11) . . . . ?
C39 P3 C51 C52 43.4(13) . . . . ?
C39 P3 C45 C50 -130.5(12) . . . . ?
C39 P3 C45 C46 50.1(13) . . . . ?
C39 C44 C43 C42 0.0 . . . . ?
C44 C39 C40 C41 0.0 . . . . ?
C44 C43 C42 C41 0.0 . . . . ?
C43 C42 C41 C40 0.0 . . . . ?
C42 C41 C40 C39 0.0 . . . . ?
C40 C39 C44 C43 0.0 . . . . ?
C33 P2 C21 C26 106(2) . . . . ?
C33 P2 C21 C22 -67(2) . . . . ?
C33 P2 C27 C28 142.8(10) . . . . ?
C33 P2 C27 C32 -31.4(13) . . . . ?
C33 C34 C35 C36 0.0 . . . . ?
C34 C33 C38 C37 0.0 . . . . ?
C34 C35 C36 C75 -169(8) . . . 2_656 ?
C34 C35 C36 C37 0.0 . . . . ?
C35 C36 C37 C38 0.0 . . . . ?
C36 C75 C74 C73 -170(7) 2_646 . . . ?
C36 C37 C38 C33 0.0 . . . . ?
C38 C33 C34 C35 0.0 . . . . ?
C1 P1 C7 C8 58.7(14) . . . . ?
C1 P1 C7 C12 -126.1(13) . . . . ?
C1 P1 C13 C14 27.4(14) . . . . ?
C1 P1 C13 C18 -148.2(12) . . . . ?
C1 C2 C3 C4 0.0 . . . . ?
C2 C1 C6 C5 0.0 . . . . ?
C2 C3 C4 C5 0.0 . . . . ?
C3 C4 C5 C6 0.0 . . . . ?
C4 C5 C6 C1 0.0 . . . . ?
C6 C1 C2 C3 0.0 . . . . ?
C89 P5 C77 C82 -109.3(14) . . . . ?
C89 P5 C77 C78 68.4(13) . . . . ?
C89 P5 C83 C88 30.5(14) . . . . ?
C89 P5 C83 C84 -146.5(13) . . . . ?
C89 C91 C92 C19 -5(3) . . . 2_646 ?
C28 C27 C32 C31 0.0 . . . . ?
C27 P2 C21 C26 -3(2) . . . . ?
C27 P2 C21 C22 -177(2) . . . . ?
C27 P2 C33 C34 -84.2(12) . . . . ?
C27 P2 C33 C38 86.3(12) . . . . ?
C27 C28 C29 C30 0.0 . . . . ?
C27 C32 C31 C30 0.0 . . . . ?
C32 C31 C30 C29 0.0 . . . . ?
C31 C30 C29 C28 0.0 . . . . ?
C29 C28 C27 P2 -174.3(15) . . . . ?
C29 C28 C27 C32 0.0 . . . . ?
C93 P6 C105 C59 -77(3) . . . 2_646 ?
C93 P6 C105 C106 97(2) . . . . ?
C93 P6 C99 C100 -143.0(13) . . . . ?
C93 P6 C99 C104 43.7(15) . . . . ?
C93 C98 C97 C96 0.0 . . . . ?
C98 C93 C94 C95 0.0 . . . . ?
C98 C97 C96 C95 0.0 . . . . ?
C97 C96 C95 C94 0.0 . . . . ?
C96 C95 C94 C93 0.0 . . . . ?
C94 C93 C98 C97 0.0 . . . . ?
C91 C89 C90 C20 9(3) . . . 2_646 ?
C22 C21 C26 C25 -3(4) . . . . ?
C22 C23 C24 C25 -4(4) . . . . ?
C14 C13 C18 C17 0.0 . . . . ?
C13 P1 C7 C8 170.4(11) . . . . ?
C13 P1 C7 C12 -14.4(15) . . . . ?
C13 P1 C1 C2 94.7(13) . . . . ?
C13 P1 C1 C6 -79.3(14) . . . . ?
C13 C14 C15 C16 0.0 . . . . ?
C13 C18 C17 C16 0.0 . . . . ?
C18 C17 C16 C15 0.0 . . . . ?
C18 C17 C16 C19 -175(2) . . . . ?
C17 C16 C15 C14 0.0 . . . . ?
C17 C16 C19 C92 -31(3) . . . 2_656 ?
C17 C16 C19 C20 146(2) . . . . ?
C16 C19 C20 C90 -177(3) . . . 2_656 ?
C15 C14 C13 P1 -175.5(16) . . . . ?
C15 C14 C13 C18 0.0 . . . . ?
C15 C16 C19 C92 154(2) . . . 2_656 ?
C15 C16 C19 C20 -29(3) . . . . ?
C24 C23 C22 C21 3(3) . . . . ?
C90 C89 C91 C92 -2(2) . . . . ?
C57 C54 C53 C52 -177.7(19) . . . . ?
C57 C58 C59 C105 -17(4) . . . 2_656 ?
C77 P5 C89 C91 34(2) . . . . ?
C77 P5 C89 C90 -148.4(18) . . . . ?
C77 P5 C83 C88 -80.4(14) . . . . ?
C77 P5 C83 C84 102.6(14) . . . . ?
C77 C82 C81 C80 0.0 . . . . ?
C82 C77 C78 C79 0.0 . . . . ?
C82 C81 C80 C79 0.0 . . . . ?
C81 C80 C79 C78 0.0 . . . . ?
C80 C79 C78 C77 0.0 . . . . ?
C78 C77 C82 C81 0.0 . . . . ?
C59 C58 C57 C54 179(2) . . . . ?
C59 C58 C57 C107 9(4) . . . 2_656 ?
C59 C105 C106 C107 -7(4) 2_646 . . . ?
C19 C16 C15 C14 175(2) . . . . ?
C105 P6 C93 C98 -6.2(16) . . . . ?
C105 P6 C93 C94 176.1(13) . . . . ?
C105 P6 C99 C100 105.9(15) . . . . ?
C105 P6 C99 C104 -67.4(17) . . . . ?
C105 C106 C107 C57 2(5) . . . 2_646 ?
C92 C19 C20 C90 0(5) 2_656 . . 2_656 ?
C83 P5 C89 C91 -79(2) . . . . ?
C83 P5 C89 C90 98(2) . . . . ?
C83 P5 C77 C82 0.4(16) . . . . ?
C83 P5 C77 C78 178.1(11) . . . . ?
C83 C88 C87 C86 0.0 . . . . ?
C88 C83 C84 C85 0.0 . . . . ?
C88 C87 C86 C85 0.0 . . . . ?
C87 C86 C85 C84 0.0 . . . . ?
C86 C85 C84 C83 0.0 . . . . ?
C84 C83 C88 C87 0.0 . . . . ?
C66 P4 C72 C73 164.9(13) . . . . ?
C66 P4 C72 C140 -30.1(15) . . . . ?
C66 P4 C60 C65 -109.2(14) . . . . ?
C66 P4 C60 C61 77.2(16) . . . . ?
C66 C71 C70 C69 0.0 . . . . ?
C71 C66 C67 C68 0.0 . . . . ?
C71 C70 C69 C68 0.0 . . . . ?
C70 C69 C68 C67 0.0 . . . . ?
C69 C68 C67 C66 0.0 . . . . ?
C67 C66 C71 C70 0.0 . . . . ?
C65 C60 C61 C62 0.0 . . . . ?
C60 P4 C72 C73 -76.6(14) . . . . ?
C60 P4 C72 C140 88.4(14) . . . . ?
C60 P4 C66 C71 3.3(17) . . . . ?
C60 P4 C66 C67 -178.2(13) . . . . ?
C60 C65 C64 C63 0.0 . . . . ?
C60 C61 C62 C63 0.0 . . . . ?
C61 C62 C63 C64 0.0 . . . . ?
C62 C63 C64 C65 0.0 . . . . ?
C64 C65 C60 P4 -173.6(17) . . . . ?
C64 C65 C60 C61 0.0 . . . . ?
C99 P6 C93 C98 -119.1(14) . . . . ?
C99 P6 C93 C94 63.2(13) . . . . ?
C99 P6 C105 C59 35(3) . . . 2_646 ?
C99 P6 C105 C106 -152(2) . . . . ?
C99 C100 C101 C102 0.0 . . . . ?
C100 C99 C104 C103 0.0 . . . . ?
C100 C101 C102 C103 0.0 . . . . ?
C101 C102 C103 C104 0.0 . . . . ?
C102 C103 C104 C99 0.0 . . . . ?
C104 C99 C100 C101 0.0 . . . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.004 0.004 0.449 4036 3122 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?
# start Validation Reply Form
_vrf_DIFMX02_c345                
;
PROBLEM: The maximum difference density is > 0.1*ZMAX*0.75
RESPONSE: High values of the refinement parameters and
 rather low bonds precision in the structural model 
are due to the small size and low quality of the crystals.
;
_vrf_HYDTR01_c345                
;
PROBLEM: The hydrogen treatment should only be one of the following
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the small
 size and low quality of the crystals.
;
_vrf_RINTA01_c345                
;
PROBLEM: The value of Rint is greater than 0.12
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT910_c345                
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min) 110 Note
RESPONSE: High values of the refinement parameters and rather
 low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT973_c345                
;
PROBLEM: Check Calcd Positive Residual Density on Au5 2.95 eA-3
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT020_c345                
;
PROBLEM: The value of Rint is greater than 0.12 ......... 0.132 Report
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT082_c345                
;
PROBLEM: High R1 Value .................................. 0.14 Report
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT094_c345                
;
PROBLEM: Ratio of Maximum / Minimum Residual Density .... 3.74 Report
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT220_c345                
;
PROBLEM: Non-Solvent Resd 1 C Ueq(max)/Ueq(min) Range 4.6 Ratio
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT222_c345                
;
PROBLEM: Non-Solvent Resd 1 H Uiso(max)/Uiso(min) Range 4.6 Ratio
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT241_c345                
;
PROBLEM: High ?MainMol? Ueq as Compared to Neighbors of C3 Check
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT242_c345                
;
PROBLEM: Low ?MainMol? Ueq as Compared to Neighbors of C2 Check
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT250_c345                
;
PROBLEM: Large U3/U1 Ratio for Average U(i,j) Tensor .... 3.1 Note
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT368_c345                
;
PROBLEM: Short C(sp2)-C(sp2) Bond C21 - C22 .. 1.22 Ang.
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT369_c345                
;
PROBLEM: Long C(sp2)-C(sp2) Bond C16 - C19 .. 1.53 Ang. 

RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT731_c345                
;
PROBLEM: Bond Calc 1.523(19), Rep 1.52(11) ...... 6 su-Rat
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT733_c345                
;
PROBLEM: Torsion Calc 167.8(19), Rep 168(8) ...... 4.21 s.u.-R
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT906_c345                
;
PROBLEM: Large K value in the Analysis of Variance ...... 31.155 Check
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT911_c345                
;
PROBLEM: Missing # FCF Refl Between THmin & STh/L= 0.600 87 Report
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT913_c345                
;
PROBLEM: Missing # of Very Strong Reflections in FCF .... 4 Note
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT977_c345                
;
PROBLEM: Check the Negative Difference Density on H12 -0.34 eA-3
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
_vrf_PLAT978_c345                
;
PROBLEM: Number C-C Bonds with Positive Residual Density. 0 Note
RESPONSE: High values of the refinement parameters and rather 
low bonds precision in the structural model are due to the 
small size and low quality of the crystals.
;
# end Validation Reply Form
