# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_ca05_trunc_r3
_database_code_depnum_ccdc_archive 'CCDC 1055143'
_audit_update_record             
;
2015-03-19 deposited with the CCDC.
2015-11-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2013
_chemical_name_systematic        'Au25(PET)18 in the neutral charge state'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C144 H144 Au25 S18'
_chemical_formula_sum            'C148 H170 Au25 O2 S36'
_chemical_formula_weight         8059.15

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.174(3)
_cell_length_b                   17.746(4)
_cell_length_c                   17.830(4)
_cell_angle_alpha                65.00(3)
_cell_angle_beta                 64.00(3)
_cell_angle_gamma                81.00(3)
_cell_volume                     4166(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            Black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    3.212
_exptl_crystal_F_000             3625
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    22.409
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            202701
_diffrn_reflns_av_unetI/netI     0.0723
_diffrn_reflns_av_R_equivalents  0.1424
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.506
_diffrn_reflns_theta_max         29.130
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             22436
_reflns_number_gt                14888
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
;
 ?
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0517P)²+4.0385P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         22436
_refine_ls_number_parameters     897
_refine_ls_number_restraints     27
_refine_ls_R_factor_all          0.0891
_refine_ls_R_factor_gt           0.0387
_refine_ls_wR_factor_ref         0.1095
_refine_ls_wR_factor_gt          0.0826
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.096
_refine_ls_shift/su_mean         0.001

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 0.5000 1.0000 0.5000 0.01559(12) Uani 1 2 d S . P . .
Au2 Au 0.39635(3) 0.85189(2) 0.61796(3) 0.01907(9) Uani 1 1 d . . . . .
Au3 Au 0.42089(3) 0.96788(2) 0.68477(3) 0.01966(9) Uani 1 1 d . . . . .
Au4 Au 0.44735(3) 1.13023(2) 0.55684(3) 0.01964(9) Uani 1 1 d . . . . .
Au5 Au 0.20467(3) 0.86156(3) 0.59211(3) 0.02264(10) Uani 1 1 d . . . . .
Au6 Au 0.77806(3) 0.92738(3) 0.55755(3) 0.02457(10) Uani 1 1 d . . . . .
Au7 Au 0.56794(3) 0.86901(2) 0.61051(3) 0.02087(10) Uani 1 1 d . . . . .
Au8 Au 0.25920(3) 1.08252(3) 0.72870(3) 0.02614(11) Uani 1 1 d . . . . .
Au9 Au 0.61156(3) 1.04428(3) 0.56069(3) 0.02105(10) Uani 1 1 d . . . . .
Au10 Au 0.31085(3) 1.00664(3) 0.58114(3) 0.02098(9) Uani 1 1 d . . . . .
Au11 Au 0.47387(3) 1.09909(3) 0.72886(3) 0.02508(10) Uani 1 1 d . . . . .
Au12 Au 0.42588(3) 0.77284(3) 0.80239(3) 0.02495(10) Uani 1 1 d . . . . .
Au13 Au 0.51021(3) 0.69872(2) 0.62775(3) 0.02188(10) Uani 1 1 d . . . . .
S14 S 0.27622(18) 0.75597(16) 0.6702(2) 0.0221(6) Uani 1 1 d . . . . .
S15 S 0.6304(2) 1.08577(19) 0.6632(2) 0.0291(7) Uani 1 1 d . . . . .
S16 S 0.4427(2) 0.64986(17) 0.7841(2) 0.0258(6) Uani 1 1 d . . . . .
S20 S 0.12149(19) 0.95902(17) 0.5214(2) 0.0274(7) Uani 1 1 d . . . . .
S21 S 0.4105(2) 0.88781(18) 0.8352(2) 0.0311(7) Uani 1 1 d . . . . .
S24 S 0.3201(2) 1.10907(17) 0.8108(2) 0.0278(7) Uani 1 1 d . . . . .
S25 S 0.1830(2) 1.0740(2) 0.6500(3) 0.0386(8) Uani 1 1 d . . . . .
S26 S 0.69559(19) 0.80189(18) 0.6391(2) 0.0265(6) Uani 1 1 d . . . . .
S28 S 0.41337(18) 1.27135(16) 0.5253(2) 0.0230(6) Uani 1 1 d . . . . .
C1_2001 C 0.3001(8) 1.2205(7) 0.7844(10) 0.035(3) Uani 1 1 d . . . . .
H1A_2001 H 0.3144 1.2497 0.7201 0.042 Uiso 1 1 calc R U . . .
H1B_2001 H 0.2356 1.2278 0.8182 0.042 Uiso 1 1 calc R U . . .
C2_2001 C 0.3592(9) 1.2585(7) 0.8087(10) 0.037(3) Uani 1 1 d . . . . .
H2A_2001 H 0.3414 1.2322 0.8738 0.044 Uiso 1 1 calc R U . . .
H2B_2001 H 0.4233 1.2473 0.7787 0.044 Uiso 1 1 calc R U . . .
C3_2001 C 0.3483(8) 1.3506(7) 0.7805(8) 0.031(3) Uani 1 1 d . . . . .
C4_2001 C 0.4235(8) 1.4048(8) 0.7277(7) 0.031(3) Uani 1 1 d . . . . .
H4_2001 H 0.4820 1.3846 0.7057 0.037 Uiso 1 1 calc R U . . .
C5_2001 C 0.4132(9) 1.4901(7) 0.7067(9) 0.037(3) Uani 1 1 d . . . . .
H5_2001 H 0.4642 1.5266 0.6710 0.045 Uiso 1 1 calc R U . . .
C6_2001 C 0.3265(10) 1.5190(8) 0.7394(11) 0.048(4) Uani 1 1 d . . . . .
H6_2001 H 0.3191 1.5758 0.7240 0.058 Uiso 1 1 calc R U . . .
C7_2001 C 0.2503(12) 1.4660(10) 0.7944(16) 0.079(7) Uani 1 1 d . . . . .
H7_2001 H 0.1923 1.4866 0.8176 0.095 Uiso 1 1 calc R U . . .
C8_2001 C 0.2609(10) 1.3811(10) 0.8151(14) 0.074(7) Uani 1 1 d . . . . .
H8_2001 H 0.2097 1.3447 0.8519 0.089 Uiso 1 1 calc R U . . .
C1_2002 C 0.6489(10) 0.9868(9) 0.7488(11) 0.051(4) Uani 1 1 d . . . . .
H1A_2002 H 0.6109 0.9422 0.7608 0.061 Uiso 1 1 calc R U . . .
H1B_2002 H 0.7128 0.9720 0.7253 0.061 Uiso 1 1 calc R U . . .
C2_2002 C 0.6225(14) 0.9983(13) 0.8412(14) 0.075(6) Uiso 1 1 d . . . . .
H2A_2002 H 0.5561 1.0018 0.8699 0.090 Uiso 1 1 calc R U . . .
H2B_2002 H 0.6398 0.9490 0.8822 0.090 Uiso 1 1 calc R U . . .
C3_2002 C 0.664(2) 1.0693(16) 0.8311(15) 0.098(8) Uani 1 1 d . . . . .
C4_2002 C 0.760(2) 1.0781(17) 0.7928(18) 0.150(14) Uani 1 1 d . . . . .
H4_2002 H 0.7947 1.0366 0.7757 0.180 Uiso 1 1 calc R U . . .
C5_2002 C 0.808(2) 1.1494(18) 0.778(2) 0.21(2) Uani 1 1 d . . . . .
H5_2002 H 0.8720 1.1522 0.7530 0.250 Uiso 1 1 calc R U . . .
C6_2002 C 0.759(2) 1.2118(19) 0.802(2) 0.148(13) Uani 1 1 d . . . . .
H6_2002 H 0.7882 1.2592 0.7912 0.178 Uiso 1 1 calc R U . . .
C7_2002 C 0.662(2) 1.1999(16) 0.8447(17) 0.110(9) Uani 1 1 d . . . . .
H7_2002 H 0.6258 1.2384 0.8672 0.132 Uiso 1 1 calc R U . . .
C8_2002 C 0.6176(17) 1.1335(12) 0.8540(13) 0.080(7) Uani 1 1 d . . . . .
H8_2002 H 0.5537 1.1323 0.8768 0.096 Uiso 1 1 calc R U . . .
C1_2003 C 0.4804(7) 1.3188(7) 0.5561(8) 0.027(3) Uani 1 1 d . . . . .
H1A_2003 H 0.4657 1.3771 0.5402 0.033 Uiso 1 1 calc R U . . .
H1B_2003 H 0.4595 1.2929 0.6217 0.033 Uiso 1 1 calc R U . . .
C2_2003 C 0.5838(7) 1.3139(7) 0.5140(8) 0.024(2) Uani 1 1 d . . . . .
H2A_2003 H 0.6067 1.3370 0.4482 0.029 Uiso 1 1 calc R U . . .
H2B_2003 H 0.6011 1.2563 0.5342 0.029 Uiso 1 1 calc R U . . .
C3_2003 C 0.6258(7) 1.3627(8) 0.5424(9) 0.034(3) Uani 1 1 d . . . . .
C4_2003 C 0.6344(8) 1.4482(8) 0.4971(10) 0.043(4) Uani 1 1 d . . . . .
H4_2003 H 0.6139 1.4740 0.4512 0.051 Uiso 1 1 calc R U . . .
C5_2003 C 0.6727(9) 1.4964(10) 0.5184(13) 0.055(5) Uani 1 1 d . . . . .
H5_2003 H 0.6786 1.5538 0.4866 0.066 Uiso 1 1 calc R U . . .
C6_2003 C 0.7018(11) 1.4585(13) 0.5869(14) 0.066(6) Uani 1 1 d . . . . .
H6_2003 H 0.7270 1.4906 0.6022 0.079 Uiso 1 1 calc R U . . .
C7_2003 C 0.6941(11) 1.3737(12) 0.6332(12) 0.058(5) Uani 1 1 d . . . . .
H7_2003 H 0.7142 1.3481 0.6794 0.069 Uiso 1 1 calc R U . . .
C8_2003 C 0.6555(9) 1.3258(10) 0.6098(10) 0.041(4) Uani 1 1 d . . . . .
H8_2003 H 0.6503 1.2682 0.6409 0.050 Uiso 1 1 calc R U . . .
C1_2004 C 0.2974(10) 0.8818(8) 0.9271(9) 0.043(4) Uani 1 1 d . . . . .
H1A_2004 H 0.2990 0.8414 0.9838 0.052 Uiso 1 1 calc R U . . .
H1B_2004 H 0.2860 0.9354 0.9315 0.052 Uiso 1 1 calc R U . . .
C2_2004 C 0.2225(11) 0.8600(10) 0.9187(13) 0.057(4) Uani 1 1 d . . . . .
H2A_2004 H 0.2322 0.8064 0.9144 0.068 Uiso 1 1 calc R U . . .
H2B_2004 H 0.2177 0.9010 0.8638 0.068 Uiso 1 1 calc R U . . .
C3_2004 C 0.1307(11) 0.8558(10) 1.0046(12) 0.064(5) Uani 1 1 d . . . . .
C4_2004 C 0.1207(15) 0.7939(11) 1.0897(15) 0.118(10) Uani 1 1 d . . . . .
H4_2004 H 0.1685 0.7580 1.0942 0.142 Uiso 1 1 calc R U . . .
C5_2004 C 0.0380(17) 0.7850(15) 1.170(2) 0.27(3) Uani 1 1 d . . . . .
H5_2004 H 0.0324 0.7438 1.2259 0.323 Uiso 1 1 calc R U . . .
C6_2004 C -0.0291(14) 0.8350(13) 1.1638(18) 0.096(8) Uani 1 1 d . . . . .
H6_2004 H -0.0840 0.8308 1.2142 0.115 Uiso 1 1 calc R U . . .
C7_2004 C -0.0153(15) 0.8886(17) 1.0864(19) 0.132(12) Uani 1 1 d . . . . .
H7_2004 H -0.0628 0.9248 1.0820 0.158 Uiso 1 1 calc R U . . .
C8_2004 C 0.0636(15) 0.9013(15) 1.0047(18) 0.151(14) Uani 1 1 d . . . . .
H8_2004 H 0.0656 0.9438 0.9506 0.181 Uiso 1 1 calc R U . . .
C1_2005 C 0.2073(7) 0.7326(7) 0.7909(8) 0.025(3) Uani 1 1 d . . . . .
H1A_2005 H 0.2410 0.6972 0.8260 0.030 Uiso 1 1 calc R U . . .
H1B_2005 H 0.1948 0.7838 0.8008 0.030 Uiso 1 1 calc R U . . .
C2_2005 C 0.1169(9) 0.6887(9) 0.8222(10) 0.047(4) Uani 1 1 d . . . . .
H2A_2005 H 0.0796 0.7268 0.7930 0.056 Uiso 1 1 calc R U . . .
H2B_2005 H 0.1293 0.6417 0.8050 0.056 Uiso 1 1 calc R U . . .
C3_2005 C 0.0655(8) 0.6590(10) 0.9247(10) 0.050(4) Uani 1 1 d . . . . .
C4_2005 C 0.0182(9) 0.7153(14) 0.9644(15) 0.21(2) Uani 1 1 d . . . . .
H4_2005 H 0.0144 0.7700 0.9268 0.248 Uiso 1 1 calc R U . . .
C5_2005 C -0.0234(11) 0.6918(13) 1.0584(15) 0.089(7) Uani 1 1 d . . . . .
H5_2005 H -0.0545 0.7294 1.0845 0.107 Uiso 1 1 calc R U . . .
C6_2005 C -0.0154(10) 0.6071(12) 1.1122(12) 0.069(5) Uani 1 1 d . . . . .
H6_2005 H -0.0423 0.5881 1.1753 0.083 Uiso 1 1 calc R U . . .
C7_2005 C 0.0313(10) 0.5535(10) 1.0723(11) 0.055(4) Uani 1 1 d . . . . .
H7_2005 H 0.0368 0.4982 1.1074 0.065 Uiso 1 1 calc R U . . .
C8_2005 C 0.0683(10) 0.5818(9) 0.9830(11) 0.057(5) Uani 1 1 d . . . . .
H8_2005 H 0.0998 0.5439 0.9577 0.068 Uiso 1 1 calc R U . . .
C1_2006 C 0.5368(9) 0.6019(7) 0.8166(10) 0.034(3) Uani 1 1 d . . . . .
H1A_2006 H 0.5862 0.6431 0.7877 0.041 Uiso 1 1 calc R U . . .
H1B_2006 H 0.5152 0.5826 0.8819 0.041 Uiso 1 1 calc R U . . .
C2_2006 C 0.5733(8) 0.5295(7) 0.7888(9) 0.030(3) Uani 1 1 d . . . . .
H2A_2006 H 0.5975 0.5493 0.7231 0.036 Uiso 1 1 calc R U . . .
H2B_2006 H 0.5234 0.4895 0.8154 0.036 Uiso 1 1 calc R U . . .
C3_2006 C 0.6492(9) 0.4869(7) 0.8197(10) 0.035(3) Uani 1 1 d . . . . .
C4_2006 C 0.6300(11) 0.4247(8) 0.9035(11) 0.056(5) Uani 1 1 d . . . . .
H4_2006 H 0.5687 0.4090 0.9432 0.067 Uiso 1 1 calc R U . . .
C5_2006 C 0.6975(16) 0.3841(12) 0.9320(17) 0.096(8) Uani 1 1 d . . . . .
H5_2006 H 0.6829 0.3415 0.9894 0.115 Uiso 1 1 calc R U . . .
C6_2006 C 0.7849(15) 0.4085(12) 0.874(2) 0.091(8) Uani 1 1 d . . . . .
H6_2006 H 0.8314 0.3825 0.8919 0.109 Uiso 1 1 calc R U . . .
C7_2006 C 0.8091(11) 0.4708(13) 0.7872(16) 0.073(6) Uani 1 1 d . . . . .
H7_2006 H 0.8705 0.4860 0.7476 0.088 Uiso 1 1 calc R U . . .
C8_2006 C 0.7385(9) 0.5100(10) 0.7614(11) 0.045(4) Uani 1 1 d . . . . .
H8_2006 H 0.7526 0.5523 0.7039 0.054 Uiso 1 1 calc R U . . .
C1_2007 C 0.0889(10) 0.9760(15) 0.7464(15) 0.084(8) Uani 1 1 d . . . . .
H1A_2007 H 0.1049 0.9258 0.7347 0.101 Uiso 1 1 calc R U . . .
H1B_2007 H 0.0790 0.9641 0.8082 0.101 Uiso 1 1 calc R U . . .
C2_2007 C 0.019(2) 1.0139(13) 0.7270(18) 0.128(12) Uani 1 1 d . . . . .
H2A_2007 H 0.0275 1.0245 0.6660 0.154 Uiso 1 1 calc R U . . .
H2B_2007 H 0.0025 1.0642 0.7384 0.154 Uiso 1 1 calc R U . . .
C3_2007 C -0.0547(17) 0.9297(15) 0.8102(14) 0.163(16) Uani 1 1 d . . . . .
C4_2007 C -0.1119(14) 0.9247(13) 0.8961(12) 0.160(16) Uani 1 1 d . . . . .
H4_2007 H -0.0995 0.9598 0.9169 0.192 Uiso 1 1 calc R U . . .
C5_2007 C -0.1829(12) 0.8729(11) 0.9503(10) 0.069(6) Uani 1 1 d . . . . .
H5_2007 H -0.2193 0.8710 1.0085 0.083 Uiso 1 1 calc R U . . .
C6_2007 C -0.2029(10) 0.8227(11) 0.9214(12) 0.059(5) Uani 1 1 d . . . . .
H6_2007 H -0.2550 0.7874 0.9586 0.070 Uiso 1 1 calc R U . . .
C7_2007 C -0.1480(10) 0.8233(11) 0.8387(13) 0.061(5) Uani 1 1 d . . . . .
H7_2007 H -0.1609 0.7868 0.8198 0.073 Uiso 1 1 calc R U . . .
C8_2007 C -0.0738(12) 0.8767(10) 0.7826(12) 0.062(5) Uani 1 1 d . . . . .
H8_2007 H -0.0362 0.8770 0.7254 0.075 Uiso 1 1 calc R U . . .
C1_2008 C 0.1197(8) 0.9267(7) 0.4370(8) 0.025(2) Uiso 1 1 d . . . . .
H1A_2008 H 0.1108 0.9750 0.3888 0.031 Uiso 1 1 calc R U . . .
H1B_2008 H 0.1786 0.9041 0.4102 0.031 Uiso 1 1 calc R U . . .
C2_2008 C 0.0442(8) 0.8622(7) 0.4783(10) 0.033(3) Uani 1 1 d . . . . .
H2A_2008 H -0.0140 0.8849 0.5064 0.039 Uiso 1 1 calc R U . . .
H2B_2008 H 0.0419 0.8527 0.4295 0.039 Uiso 1 1 calc R U . . .
C3_2008 C 0.0529(8) 0.7795(8) 0.5480(10) 0.032(3) Uani 1 1 d . . . . .
C4_2008 C 0.1264(9) 0.7297(7) 0.5232(10) 0.036(3) Uani 1 1 d . . . . .
H4_2008 H 0.1724 0.7487 0.4643 0.043 Uiso 1 1 calc R U . . .
C5_2008 C 0.1309(8) 0.6512(8) 0.5868(10) 0.041(4) Uani 1 1 d . . . . .
H5_2008 H 0.1804 0.6182 0.5702 0.049 Uiso 1 1 calc R U . . .
C6_2008 C 0.0635(9) 0.6221(8) 0.6735(11) 0.043(4) Uani 1 1 d . . . . .
H6_2008 H 0.0657 0.5692 0.7156 0.051 Uiso 1 1 calc R U . . .
C7_2008 C -0.0077(10) 0.6731(10) 0.6969(11) 0.049(4) Uani 1 1 d . . . . .
H7_2008 H -0.0533 0.6543 0.7561 0.059 Uiso 1 1 calc R U . . .
C8_2008 C -0.0135(8) 0.7507(8) 0.6356(9) 0.034(3) Uani 1 1 d . . . . .
H8_2008 H -0.0624 0.7839 0.6534 0.041 Uiso 1 1 calc R U . . .
C1_2009 C 0.7412(7) 0.7476(7) 0.5614(9) 0.026(3) Uani 1 1 d . . . . .
H1A_2009 H 0.7077 0.6949 0.5901 0.032 Uiso 1 1 calc R U . . .
H1B_2009 H 0.7326 0.7809 0.5062 0.032 Uiso 1 1 calc R U . . .
C2_2009 C 0.8416(8) 0.7325(8) 0.5380(10) 0.032(3) Uani 1 1 d . . . . .
H2A_2009 H 0.8501 0.7027 0.5938 0.039 Uiso 1 1 calc R U . . .
H2B_2009 H 0.8749 0.7856 0.5063 0.039 Uiso 1 1 calc R U . . .
C3_2009 C 0.8818(8) 0.6832(7) 0.4793(10) 0.034(3) Uani 1 1 d . . . . .
C4_2009 C 0.9631(11) 0.6465(10) 0.4728(13) 0.079(7) Uani 1 1 d . . . . .
H4_2009 H 0.9927 0.6524 0.5046 0.094 Uiso 1 1 calc R U . . .
C5_2009 C 1.0031(13) 0.6008(14) 0.4208(17) 0.129(12) Uani 1 1 d . . . . .
H5_2009 H 1.0601 0.5779 0.4158 0.155 Uiso 1 1 calc R U . . .
C6_2009 C 0.9587(12) 0.5888(14) 0.3760(17) 0.104(9) Uani 1 1 d . . . . .
H6_2009 H 0.9831 0.5538 0.3453 0.125 Uiso 1 1 calc R U . . .
C7_2009 C 0.8802(10) 0.6274(11) 0.3763(13) 0.061(5) Uani 1 1 d . . . . .
H7_2009 H 0.8527 0.6225 0.3424 0.073 Uiso 1 1 calc R U . . .
C8_2009 C 0.8405(10) 0.6749(9) 0.4283(11) 0.047(4) Uani 1 1 d . . . . .
H8_2009 H 0.7859 0.7015 0.4292 0.056 Uiso 1 1 calc R U . . .
C9_2010 C 0.5508(10) 0.7504(12) 0.9708(11) 0.066(5) Uani 1 1 d . . . . .
H9_2010 H 0.5060 0.7902 0.9743 0.079 Uiso 1 1 calc R U . . .
C10_2010 C 0.6083(11) 0.7454(11) 0.8894(12) 0.059(5) Uani 1 1 d . . . . .
H10_2010 H 0.6011 0.7816 0.8369 0.071 Uiso 1 1 calc R U . . .
C11_2010 C 0.6768(10) 0.6877(10) 0.8834(10) 0.044(4) Uani 1 1 d . . . . .
H11_2010 H 0.7167 0.6867 0.8273 0.053 Uiso 1 1 calc R U . . .
C12_2010 C 0.6849(10) 0.6319(9) 0.9615(11) 0.045(4) Uani 1 1 d . . . . .
H12_2010 H 0.7297 0.5921 0.9584 0.054 Uiso 1 1 calc R U . . .
C13_2010 C 0.7642(16) 0.5705(13) 0.9571(15) 0.099(8) Uani 1 1 d . . . . .
H13A_2010 H 0.7986 0.5754 0.8955 0.148 Uiso 1 1 calc R U . . .
H13B_2010 H 0.7392 0.5147 0.9954 0.148 Uiso 1 1 calc R U . . .
H13C_2010 H 0.8040 0.5832 0.9776 0.148 Uiso 1 1 calc R U . . .
C14_2010 C 0.6277(10) 0.6348(9) 1.0434(10) 0.047(4) Uani 1 1 d . . . . .
H14_2010 H 0.6329 0.5968 1.0962 0.057 Uiso 1 1 calc R U . . .
C15_2010 C 0.5624(11) 0.6939(11) 1.0476(12) 0.066(5) Uani 1 1 d . . . . .
H15_2010 H 0.5246 0.6961 1.1037 0.079 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 Au10 2.7599(10) . ?
Au1 Au10 2.7599(10) 2_676 ?
Au1 Au4 2.7750(8) . ?
Au1 Au4 2.7751(8) 2_676 ?
Au1 Au7 2.7787(11) 2_676 ?
Au1 Au7 2.7787(12) . ?
Au1 Au2 2.7851(15) 2_676 ?
Au1 Au2 2.7851(15) . ?
Au1 Au3 2.7858(11) . ?
Au1 Au3 2.7858(11) 2_676 ?
Au1 Au9 2.8138(7) 2_676 ?
Au1 Au9 2.8139(7) . ?
Au2 S14 2.377(3) . ?
Au2 Au7 2.7781(8) . ?
Au2 Au10 2.8230(11) . ?
Au2 Au3 2.9251(8) . ?
Au2 Au4 2.9516(15) 2_676 ?
Au2 Au9 2.9799(12) 2_676 ?
Au2 Au13 3.0207(11) . ?
Au2 Au12 3.2059(11) . ?
Au2 Au5 3.2973(9) . ?
Au3 S21 2.387(3) . ?
Au3 Au4 2.7681(13) . ?
Au3 Au7 2.8957(12) . ?
Au3 Au10 2.9121(10) . ?
Au3 Au9 3.0057(16) . ?
Au3 Au8 3.0786(12) . ?
Au3 Au11 3.0879(9) . ?
Au3 Au12 3.2109(13) . ?
Au4 S28 2.354(3) . ?
Au4 Au9 2.8616(11) . ?
Au4 Au2 2.9516(15) 2_676 ?
Au4 Au11 3.0890(10) . ?
Au4 Au7 3.0946(9) 2_676 ?
Au4 Au10 3.1217(11) . ?
Au4 Au8 3.1312(17) . ?
Au4 Au13 3.2778(17) 2_676 ?
Au5 S20 2.304(3) . ?
Au5 S14 2.306(3) . ?
Au5 Au9 3.1073(18) 2_676 ?
Au5 Au10 3.2062(10) . ?
Au6 S20 2.303(3) 2_676 ?
Au6 S26 2.312(3) . ?
Au6 Au10 3.1139(11) 2_676 ?
Au6 Au9 3.1268(11) . ?
Au6 Au7 3.3128(11) . ?
Au7 S26 2.362(3) . ?
Au7 Au9 2.9603(10) . ?
Au7 Au12 3.0489(18) . ?
Au7 Au10 3.0816(19) 2_676 ?
Au7 Au4 3.0946(9) 2_676 ?
Au7 Au13 3.1536(9) . ?
Au8 S25 2.294(4) . ?
Au8 S24 2.309(3) . ?
Au8 Au10 3.1857(11) . ?
Au9 S15 2.381(3) . ?
Au9 Au10 2.7533(10) 2_676 ?
Au9 Au2 2.9799(13) 2_676 ?
Au9 Au5 3.1073(18) 2_676 ?
Au9 Au11 3.2906(14) . ?
Au10 S25 2.335(3) . ?
Au10 Au9 2.7533(10) 2_676 ?
Au10 Au7 3.0816(19) 2_676 ?
Au10 Au6 3.1140(11) 2_676 ?
Au11 S24 2.290(3) . ?
Au11 S15 2.299(3) . ?
Au12 S16 2.298(3) . ?
Au12 S21 2.300(3) . ?
Au13 S28 2.298(3) 2_676 ?
Au13 S16 2.303(3) . ?
Au13 Au4 3.2779(17) 2_676 ?
S14 C1_2005 1.827(12) . ?
S15 C1_2002 1.864(16) . ?
S16 C1_2006 1.824(12) . ?
S20 C1_2008 1.836(12) . ?
S20 Au6 2.303(3) 2_676 ?
S21 C1_2004 1.825(14) . ?
S24 C1_2001 1.840(12) . ?
S25 C1_2007 2.07(2) . ?
S26 C1_2009 1.845(12) . ?
S28 C1_2003 1.840(11) . ?
S28 Au13 2.298(3) 2_676 ?
C1_2001 C2_2001 1.537(17) . ?
C1_2001 H1A_2001 0.9700 . ?
C1_2001 H1B_2001 0.9700 . ?
C2_2001 C3_2001 1.500(16) . ?
C2_2001 H2A_2001 0.9700 . ?
C2_2001 H2B_2001 0.9700 . ?
C3_2001 C4_2001 1.375(16) . ?
C3_2001 C8_2001 1.397(18) . ?
C4_2001 C5_2001 1.397(17) . ?
C4_2001 H4_2001 0.9300 . ?
C5_2001 C6_2001 1.371(19) . ?
C5_2001 H5_2001 0.9300 . ?
C6_2001 C7_2001 1.37(2) . ?
C6_2001 H6_2001 0.9300 . ?
C7_2001 C8_2001 1.39(2) . ?
C7_2001 H7_2001 0.9300 . ?
C8_2001 H8_2001 0.9300 . ?
C1_2002 C2_2002 1.61(2) . ?
C1_2002 H1A_2002 0.9700 . ?
C1_2002 H1B_2002 0.9700 . ?
C2_2002 C3_2002 1.43(3) . ?
C2_2002 H2A_2002 0.9700 . ?
C2_2002 H2B_2002 0.9700 . ?
C3_2002 C8_2002 1.37(3) . ?
C3_2002 C4_2002 1.40(3) . ?
C4_2002 C5_2002 1.46(3) . ?
C4_2002 H4_2002 0.9300 . ?
C5_2002 C6_2002 1.36(3) . ?
C5_2002 H5_2002 0.9300 . ?
C6_2002 C7_2002 1.43(4) . ?
C6_2002 H6_2002 0.9300 . ?
C7_2002 C8_2002 1.38(3) . ?
C7_2002 H7_2002 0.9300 . ?
C8_2002 H8_2002 0.9300 . ?
C1_2003 C2_2003 1.509(15) . ?
C1_2003 H1A_2003 0.9700 . ?
C1_2003 H1B_2003 0.9700 . ?
C2_2003 C3_2003 1.524(16) . ?
C2_2003 H2A_2003 0.9700 . ?
C2_2003 H2B_2003 0.9700 . ?
C3_2003 C8_2003 1.36(2) . ?
C3_2003 C4_2003 1.380(19) . ?
C4_2003 C5_2003 1.379(18) . ?
C4_2003 H4_2003 0.9300 . ?
C5_2003 C6_2003 1.37(3) . ?
C5_2003 H5_2003 0.9300 . ?
C6_2003 C7_2003 1.37(2) . ?
C6_2003 H6_2003 0.9300 . ?
C7_2003 C8_2003 1.41(2) . ?
C7_2003 H7_2003 0.9300 . ?
C8_2003 H8_2003 0.9300 . ?
C1_2004 C2_2004 1.41(2) . ?
C1_2004 H1A_2004 0.9700 . ?
C1_2004 H1B_2004 0.9700 . ?
C2_2004 C3_2004 1.58(2) . ?
C2_2004 H2A_2004 0.9700 . ?
C2_2004 H2B_2004 0.9700 . ?
C3_2004 C8_2004 1.25(3) . ?
C3_2004 C4_2004 1.40(3) . ?
C4_2004 C5_2004 1.43(3) . ?
C4_2004 H4_2004 0.9300 . ?
C5_2004 C6_2004 1.30(3) . ?
C5_2004 H5_2004 0.9300 . ?
C6_2004 C7_2004 1.24(3) . ?
C6_2004 H6_2004 0.9300 . ?
C7_2004 C8_2004 1.41(3) . ?
C7_2004 H7_2004 0.9300 . ?
C8_2004 H8_2004 0.9300 . ?
C1_2005 C2_2005 1.527(16) . ?
C1_2005 H1A_2005 0.9700 . ?
C1_2005 H1B_2005 0.9700 . ?
C2_2005 C3_2005 1.52(2) . ?
C2_2005 H2A_2005 0.9700 . ?
C2_2005 H2B_2005 0.9700 . ?
C3_2005 C8_2005 1.33(2) . ?
C3_2005 C4_2005 1.40(3) . ?
C4_2005 C5_2005 1.39(3) . ?
C4_2005 H4_2005 0.9300 . ?
C5_2005 C6_2005 1.42(3) . ?
C5_2005 H5_2005 0.9300 . ?
C6_2005 C7_2005 1.36(2) . ?
C6_2005 H6_2005 0.9300 . ?
C7_2005 C8_2005 1.32(2) . ?
C7_2005 H7_2005 0.9300 . ?
C8_2005 H8_2005 0.9300 . ?
C1_2006 C2_2006 1.513(16) . ?
C1_2006 H1A_2006 0.9700 . ?
C1_2006 H1B_2006 0.9700 . ?
C2_2006 C3_2006 1.528(17) . ?
C2_2006 H2A_2006 0.9700 . ?
C2_2006 H2B_2006 0.9700 . ?
C3_2006 C4_2006 1.360(19) . ?
C3_2006 C8_2006 1.357(19) . ?
C4_2006 C5_2006 1.38(2) . ?
C4_2006 H4_2006 0.9300 . ?
C5_2006 C6_2006 1.34(3) . ?
C5_2006 H5_2006 0.9300 . ?
C6_2006 C7_2006 1.38(3) . ?
C6_2006 H6_2006 0.9300 . ?
C7_2006 C8_2006 1.39(2) . ?
C7_2006 H7_2006 0.9300 . ?
C8_2006 H8_2006 0.9300 . ?
C1_2007 C2_2007 1.33(3) . ?
C1_2007 H1A_2007 0.9700 . ?
C1_2007 H1B_2007 0.9700 . ?
C2_2007 C3_2007 1.73(3) . ?
C2_2007 H2A_2007 0.9700 . ?
C2_2007 H2B_2007 0.9700 . ?
C3_2007 C8_2007 1.36(3) . ?
C3_2007 C4_2007 1.37(3) . ?
C4_2007 C5_2007 1.30(2) . ?
C4_2007 H4_2007 0.9300 . ?
C5_2007 C6_2007 1.34(2) . ?
C5_2007 H5_2007 0.9300 . ?
C6_2007 C7_2007 1.34(2) . ?
C6_2007 H6_2007 0.9300 . ?
C7_2007 C8_2007 1.36(2) . ?
C7_2007 H7_2007 0.9300 . ?
C8_2007 H8_2007 0.9300 . ?
C1_2008 C2_2008 1.510(15) . ?
C1_2008 H1A_2008 0.9700 . ?
C1_2008 H1B_2008 0.9700 . ?
C2_2008 C3_2008 1.505(18) . ?
C2_2008 H2A_2008 0.9700 . ?
C2_2008 H2B_2008 0.9700 . ?
C3_2008 C8_2008 1.372(18) . ?
C3_2008 C4_2008 1.389(17) . ?
C4_2008 C5_2008 1.391(18) . ?
C4_2008 H4_2008 0.9300 . ?
C5_2008 C6_2008 1.37(2) . ?
C5_2008 H5_2008 0.9300 . ?
C6_2008 C7_2008 1.37(2) . ?
C6_2008 H6_2008 0.9300 . ?
C7_2008 C8_2008 1.37(2) . ?
C7_2008 H7_2008 0.9300 . ?
C8_2008 H8_2008 0.9300 . ?
C1_2009 C2_2009 1.498(15) . ?
C1_2009 H1A_2009 0.9700 . ?
C1_2009 H1B_2009 0.9700 . ?
C2_2009 C3_2009 1.510(17) . ?
C2_2009 H2A_2009 0.9700 . ?
C2_2009 H2B_2009 0.9700 . ?
C3_2009 C4_2009 1.352(19) . ?
C3_2009 C8_2009 1.40(2) . ?
C4_2009 C5_2009 1.37(3) . ?
C4_2009 H4_2009 0.9300 . ?
C5_2009 C6_2009 1.38(3) . ?
C5_2009 H5_2009 0.9300 . ?
C6_2009 C7_2009 1.34(2) . ?
C6_2009 H6_2009 0.9300 . ?
C7_2009 C8_2009 1.40(2) . ?
C7_2009 H7_2009 0.9300 . ?
C8_2009 H8_2009 0.9300 . ?
C9_2010 C10_2010 1.37(2) . ?
C9_2010 C15_2010 1.39(2) . ?
C9_2010 H9_2010 0.9300 . ?
C10_2010 C11_2010 1.39(2) . ?
C10_2010 H10_2010 0.9300 . ?
C11_2010 C12_2010 1.37(2) . ?
C11_2010 H11_2010 0.9300 . ?
C12_2010 C14_2010 1.36(2) . ?
C12_2010 C13_2010 1.54(2) . ?
C12_2010 H12_2010 0.9300 . ?
C13_2010 H13A_2010 0.9600 . ?
C13_2010 H13B_2010 0.9600 . ?
C13_2010 H13C_2010 0.9600 . ?
C14_2010 C15_2010 1.37(2) . ?
C14_2010 H14_2010 0.9300 . ?
C15_2010 H15_2010 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
Au10 Au1 Au10 180.0 . 2_676 ?
Au10 Au1 Au4 68.67(3) . . ?
Au10 Au1 Au4 111.33(3) 2_676 . ?
Au10 Au1 Au4 111.34(3) . 2_676 ?
Au10 Au1 Au4 68.67(3) 2_676 2_676 ?
Au4 Au1 Au4 180.0 . 2_676 ?
Au10 Au1 Au7 67.61(4) . 2_676 ?
Au10 Au1 Au7 112.39(4) 2_676 2_676 ?
Au4 Au1 Au7 67.73(2) . 2_676 ?
Au4 Au1 Au7 112.27(2) 2_676 2_676 ?
Au10 Au1 Au7 112.39(4) . . ?
Au10 Au1 Au7 67.61(4) 2_676 . ?
Au4 Au1 Au7 112.27(2) . . ?
Au4 Au1 Au7 67.73(2) 2_676 . ?
Au7 Au1 Au7 180.0 2_676 . ?
Au10 Au1 Au2 118.79(4) . 2_676 ?
Au10 Au1 Au2 61.21(4) 2_676 2_676 ?
Au4 Au1 Au2 64.13(3) . 2_676 ?
Au4 Au1 Au2 115.87(3) 2_676 2_676 ?
Au7 Au1 Au2 59.91(3) 2_676 2_676 ?
Au7 Au1 Au2 120.09(3) . 2_676 ?
Au10 Au1 Au2 61.21(4) . . ?
Au10 Au1 Au2 118.79(4) 2_676 . ?
Au4 Au1 Au2 115.88(3) . . ?
Au4 Au1 Au2 64.12(3) 2_676 . ?
Au7 Au1 Au2 120.09(3) 2_676 . ?
Au7 Au1 Au2 59.91(3) . . ?
Au2 Au1 Au2 180.0 2_676 . ?
Au10 Au1 Au3 63.35(3) . . ?
Au10 Au1 Au3 116.65(3) 2_676 . ?
Au4 Au1 Au3 59.71(3) . . ?
Au4 Au1 Au3 120.29(3) 2_676 . ?
Au7 Au1 Au3 117.28(3) 2_676 . ?
Au7 Au1 Au3 62.72(3) . . ?
Au2 Au1 Au3 116.66(3) 2_676 . ?
Au2 Au1 Au3 63.34(3) . . ?
Au10 Au1 Au3 116.65(3) . 2_676 ?
Au10 Au1 Au3 63.35(4) 2_676 2_676 ?
Au4 Au1 Au3 120.29(3) . 2_676 ?
Au4 Au1 Au3 59.70(3) 2_676 2_676 ?
Au7 Au1 Au3 62.72(3) 2_676 2_676 ?
Au7 Au1 Au3 117.28(3) . 2_676 ?
Au2 Au1 Au3 63.35(4) 2_676 2_676 ?
Au2 Au1 Au3 116.65(4) . 2_676 ?
Au3 Au1 Au3 179.999(18) . 2_676 ?
Au10 Au1 Au9 59.20(2) . 2_676 ?
Au10 Au1 Au9 120.81(2) 2_676 2_676 ?
Au4 Au1 Au9 118.41(2) . 2_676 ?
Au4 Au1 Au9 61.59(2) 2_676 2_676 ?
Au7 Au1 Au9 63.92(2) 2_676 2_676 ?
Au7 Au1 Au9 116.08(2) . 2_676 ?
Au2 Au1 Au9 115.69(3) 2_676 2_676 ?
Au2 Au1 Au9 64.31(3) . 2_676 ?
Au3 Au1 Au9 115.07(3) . 2_676 ?
Au3 Au1 Au9 64.92(3) 2_676 2_676 ?
Au10 Au1 Au9 120.80(2) . . ?
Au10 Au1 Au9 59.19(2) 2_676 . ?
Au4 Au1 Au9 61.59(2) . . ?
Au4 Au1 Au9 118.41(2) 2_676 . ?
Au7 Au1 Au9 116.09(2) 2_676 . ?
Au7 Au1 Au9 63.92(2) . . ?
Au2 Au1 Au9 64.31(3) 2_676 . ?
Au2 Au1 Au9 115.69(3) . . ?
Au3 Au1 Au9 64.93(3) . . ?
Au3 Au1 Au9 115.08(3) 2_676 . ?
Au9 Au1 Au9 180.0 2_676 . ?
S14 Au2 Au7 144.92(7) . . ?
S14 Au2 Au1 153.26(8) . . ?
Au7 Au2 Au1 59.93(3) . . ?
S14 Au2 Au10 103.07(7) . . ?
Au7 Au2 Au10 110.50(3) . . ?
Au1 Au2 Au10 58.95(3) . . ?
S14 Au2 Au3 133.63(7) . . ?
Au7 Au2 Au3 60.96(3) . . ?
Au1 Au2 Au3 58.34(2) . . ?
Au10 Au2 Au3 60.85(2) . . ?
S14 Au2 Au4 115.94(8) . 2_676 ?
Au7 Au2 Au4 65.30(3) . 2_676 ?
Au1 Au2 Au4 57.77(4) . 2_676 ?
Au10 Au2 Au4 104.63(4) . 2_676 ?
Au3 Au2 Au4 110.31(3) . 2_676 ?
S14 Au2 Au9 95.68(8) . 2_676 ?
Au7 Au2 Au9 110.94(4) . 2_676 ?
Au1 Au2 Au9 58.31(3) . 2_676 ?
Au10 Au2 Au9 56.57(3) . 2_676 ?
Au3 Au2 Au9 106.28(3) . 2_676 ?
Au4 Au2 Au9 57.69(3) 2_676 2_676 ?
S14 Au2 Au13 82.36(7) . . ?
Au7 Au2 Au13 65.73(3) . . ?
Au1 Au2 Au13 113.39(3) . . ?
Au10 Au2 Au13 171.15(2) . . ?
Au3 Au2 Au13 120.29(2) . . ?
Au4 Au2 Au13 66.56(4) 2_676 . ?
Au9 Au2 Au13 116.39(3) 2_676 . ?
S14 Au2 Au12 95.30(8) . . ?
Au7 Au2 Au12 60.76(4) . . ?
Au1 Au2 Au12 110.30(3) . . ?
Au10 Au2 Au12 116.85(3) . . ?
Au3 Au2 Au12 62.97(3) . . ?
Au4 Au2 Au12 120.04(3) 2_676 . ?
Au9 Au2 Au12 168.352(18) 2_676 . ?
Au13 Au2 Au12 69.01(3) . . ?
S14 Au2 Au5 44.36(7) . . ?
Au7 Au2 Au5 169.67(2) . . ?
Au1 Au2 Au5 110.07(3) . . ?
Au10 Au2 Au5 62.62(3) . . ?
Au3 Au2 Au5 117.32(3) . . ?
Au4 Au2 Au5 107.92(3) 2_676 . ?
Au9 Au2 Au5 59.08(4) 2_676 . ?
Au13 Au2 Au5 119.83(3) . . ?
Au12 Au2 Au5 128.62(3) . . ?
S21 Au3 Au4 141.17(8) . . ?
S21 Au3 Au1 150.50(8) . . ?
Au4 Au3 Au1 59.95(3) . . ?
S21 Au3 Au7 91.98(8) . . ?
Au4 Au3 Au7 109.00(4) . . ?
Au1 Au3 Au7 58.52(3) . . ?
S21 Au3 Au10 139.98(8) . . ?
Au4 Au3 Au10 66.62(3) . . ?
Au1 Au3 Au10 57.89(2) . . ?
Au7 Au3 Au10 104.82(3) . . ?
S21 Au3 Au2 107.14(8) . . ?
Au4 Au3 Au2 111.69(3) . . ?
Au1 Au3 Au2 58.32(3) . . ?
Au7 Au3 Au2 57.01(2) . . ?
Au10 Au3 Au2 57.85(2) . . ?
S21 Au3 Au9 109.92(9) . . ?
Au4 Au3 Au9 59.25(4) . . ?
Au1 Au3 Au9 57.99(3) . . ?
Au7 Au3 Au9 60.18(3) . . ?
Au10 Au3 Au9 109.96(3) . . ?
Au2 Au3 Au9 106.11(3) . . ?
S21 Au3 Au8 98.77(8) . . ?
Au4 Au3 Au8 64.51(4) . . ?
Au1 Au3 Au8 110.62(4) . . ?
Au7 Au3 Au8 168.52(2) . . ?
Au10 Au3 Au8 64.18(3) . . ?
Au2 Au3 Au8 115.27(3) . . ?
Au9 Au3 Au8 118.89(3) . . ?
S21 Au3 Au11 78.10(8) . . ?
Au4 Au3 Au11 63.40(2) . . ?
Au1 Au3 Au11 113.81(4) . . ?
Au7 Au3 Au11 116.72(3) . . ?
Au10 Au3 Au11 122.48(3) . . ?
Au2 Au3 Au11 171.35(2) . . ?
Au9 Au3 Au11 65.35(3) . . ?
Au8 Au3 Au11 69.87(2) . . ?
S21 Au3 Au12 45.63(8) . . ?
Au4 Au3 Au12 168.63(2) . . ?
Au1 Au3 Au12 110.14(4) . . ?
Au7 Au3 Au12 59.64(4) . . ?
Au10 Au3 Au12 114.09(3) . . ?
Au2 Au3 Au12 62.79(2) . . ?
Au9 Au3 Au12 111.53(4) . . ?
Au8 Au3 Au12 126.56(4) . . ?
Au11 Au3 Au12 120.59(3) . . ?
S28 Au4 Au3 148.05(8) . . ?
S28 Au4 Au1 149.75(8) . . ?
Au3 Au4 Au1 60.34(2) . . ?
S28 Au4 Au9 130.59(7) . . ?
Au3 Au4 Au9 64.51(4) . . ?
Au1 Au4 Au9 59.87(2) . . ?
S28 Au4 Au2 99.32(9) . 2_676 ?
Au3 Au4 Au2 111.94(4) . 2_676 ?
Au1 Au4 Au2 58.10(3) . 2_676 ?
Au9 Au4 Au2 61.65(3) . 2_676 ?
S28 Au4 Au11 94.71(8) . . ?
Au3 Au4 Au11 63.36(3) . . ?
Au1 Au4 Au11 114.09(3) . . ?
Au9 Au4 Au11 67.02(3) . . ?
Au2 Au4 Au11 122.47(3) 2_676 . ?
S28 Au4 Au7 94.97(8) . 2_676 ?
Au3 Au4 Au7 108.16(3) . 2_676 ?
Au1 Au4 Au7 56.19(3) . 2_676 ?
Au9 Au4 Au7 105.56(3) . 2_676 ?
Au2 Au4 Au7 54.65(2) 2_676 2_676 ?
Au11 Au4 Au7 170.263(18) . 2_676 ?
S28 Au4 Au10 120.96(7) . . ?
Au3 Au4 Au10 58.90(3) . . ?
Au1 Au4 Au10 55.44(2) . . ?
Au9 Au4 Au10 108.12(2) . . ?
Au2 Au4 Au10 103.56(4) 2_676 . ?
Au11 Au4 Au10 115.77(4) . . ?
Au7 Au4 Au10 59.43(4) 2_676 . ?
S28 Au4 Au8 88.71(8) . . ?
Au3 Au4 Au8 62.56(4) . . ?
Au1 Au4 Au8 109.41(4) . . ?
Au9 Au4 Au8 121.86(3) . . ?
Au2 Au4 Au8 164.78(2) 2_676 . ?
Au11 Au4 Au8 69.18(3) . . ?
Au7 Au4 Au8 112.08(3) 2_676 . ?
Au10 Au4 Au8 61.26(3) . . ?
S28 Au4 Au13 44.50(8) . 2_676 ?
Au3 Au4 Au13 166.48(2) . 2_676 ?
Au1 Au4 Au13 106.33(3) . 2_676 ?
Au9 Au4 Au13 112.15(4) . 2_676 ?
Au2 Au4 Au13 57.73(4) 2_676 2_676 ?
Au11 Au4 Au13 128.66(3) . 2_676 ?
Au7 Au4 Au13 59.24(2) 2_676 2_676 ?
Au10 Au4 Au13 112.77(4) . 2_676 ?
Au8 Au4 Au13 124.81(4) . 2_676 ?
S20 Au5 S14 174.77(10) . . ?
S20 Au5 Au9 91.11(8) . 2_676 ?
S14 Au5 Au9 93.84(8) . 2_676 ?
S20 Au5 Au10 90.28(7) . . ?
S14 Au5 Au10 94.10(7) . . ?
Au9 Au5 Au10 51.68(3) 2_676 . ?
S20 Au5 Au2 138.97(7) . . ?
S14 Au5 Au2 46.12(7) . . ?
Au9 Au5 Au2 55.36(3) 2_676 . ?
Au10 Au5 Au2 51.43(2) . . ?
S20 Au6 S26 171.56(10) 2_676 . ?
S20 Au6 Au10 92.62(9) 2_676 2_676 ?
S26 Au6 Au10 93.59(8) . 2_676 ?
S20 Au6 Au9 90.62(7) 2_676 . ?
S26 Au6 Au9 97.70(8) . . ?
Au10 Au6 Au9 52.36(3) 2_676 . ?
S20 Au6 Au7 142.86(8) 2_676 . ?
S26 Au6 Au7 45.48(8) . . ?
Au10 Au6 Au7 57.20(3) 2_676 . ?
Au9 Au6 Au7 54.64(2) . . ?
S26 Au7 Au2 147.14(7) . . ?
S26 Au7 Au1 148.92(8) . . ?
Au2 Au7 Au1 60.16(4) . . ?
S26 Au7 Au3 136.21(8) . . ?
Au2 Au7 Au3 62.03(2) . . ?
Au1 Au7 Au3 58.76(3) . . ?
S26 Au7 Au9 101.19(7) . . ?
Au2 Au7 Au9 111.35(4) . . ?
Au1 Au7 Au9 58.62(2) . . ?
Au3 Au7 Au9 61.75(3) . . ?
S26 Au7 Au12 94.76(8) . . ?
Au2 Au7 Au12 66.57(3) . . ?
Au1 Au7 Au12 115.20(3) . . ?
Au3 Au7 Au12 65.33(3) . . ?
Au9 Au7 Au12 117.62(4) . . ?
S26 Au7 Au10 93.41(8) . 2_676 ?
Au2 Au7 Au10 108.96(4) . 2_676 ?
Au1 Au7 Au10 55.90(3) . 2_676 ?
Au3 Au7 Au10 104.25(4) . 2_676 ?
Au9 Au7 Au10 54.17(3) . 2_676 ?
Au12 Au7 Au10 169.57(2) . 2_676 ?
S26 Au7 Au4 116.36(8) . 2_676 ?
Au2 Au7 Au4 60.06(3) . 2_676 ?
Au1 Au7 Au4 56.08(2) . 2_676 ?
Au3 Au7 Au4 107.20(3) . 2_676 ?
Au9 Au7 Au4 104.89(4) . 2_676 ?
Au12 Au7 Au4 120.55(3) . 2_676 ?
Au10 Au7 Au4 60.72(2) 2_676 2_676 ?
S26 Au7 Au13 87.76(7) . . ?
Au2 Au7 Au13 60.84(3) . . ?
Au1 Au7 Au13 109.66(3) . . ?
Au3 Au7 Au13 116.90(3) . . ?
Au9 Au7 Au13 167.73(2) . . ?
Au12 Au7 Au13 69.36(4) . . ?
Au10 Au7 Au13 117.48(4) 2_676 . ?
Au4 Au7 Au13 63.28(3) 2_676 . ?
S26 Au7 Au6 44.26(7) . . ?
Au2 Au7 Au6 166.69(2) . . ?
Au1 Au7 Au6 106.92(4) . . ?
Au3 Au7 Au6 115.51(3) . . ?
Au9 Au7 Au6 59.48(3) . . ?
Au12 Au7 Au6 125.46(3) . . ?
Au10 Au7 Au6 58.15(3) 2_676 . ?
Au4 Au7 Au6 111.13(4) 2_676 . ?
Au13 Au7 Au6 126.17(3) . . ?
S25 Au8 S24 170.50(11) . . ?
S25 Au8 Au3 101.56(8) . . ?
S24 Au8 Au3 87.77(8) . . ?
S25 Au8 Au4 92.69(9) . . ?
S24 Au8 Au4 91.51(8) . . ?
Au3 Au8 Au4 52.94(3) . . ?
S25 Au8 Au10 47.06(8) . . ?
S24 Au8 Au10 141.63(8) . . ?
Au3 Au8 Au10 55.37(3) . . ?
Au4 Au8 Au10 59.22(3) . . ?
S15 Au9 Au10 149.01(8) . 2_676 ?
S15 Au9 Au1 151.43(8) . . ?
Au10 Au9 Au1 59.43(2) 2_676 . ?
S15 Au9 Au4 98.65(8) . . ?
Au10 Au9 Au4 108.96(3) 2_676 . ?
Au1 Au9 Au4 58.536(19) . . ?
S15 Au9 Au7 121.51(8) . . ?
Au10 Au9 Au7 65.16(4) 2_676 . ?
Au1 Au9 Au7 57.46(3) . . ?
Au4 Au9 Au7 104.76(3) . . ?
S15 Au9 Au2 129.63(8) . 2_676 ?
Au10 Au9 Au2 58.84(3) 2_676 2_676 ?
Au1 Au9 Au2 57.38(3) . 2_676 ?
Au4 Au9 Au2 60.66(4) . 2_676 ?
Au7 Au9 Au2 108.49(4) . 2_676 ?
S15 Au9 Au3 96.81(8) . . ?
Au10 Au9 Au3 110.00(3) 2_676 . ?
Au1 Au9 Au3 57.09(2) . . ?
Au4 Au9 Au3 56.24(3) . . ?
Au7 Au9 Au3 58.07(4) . . ?
Au2 Au9 Au3 104.76(4) 2_676 . ?
S15 Au9 Au5 89.70(8) . 2_676 ?
Au10 Au9 Au5 66.01(3) 2_676 2_676 ?
Au1 Au9 Au5 114.89(3) . 2_676 ?
Au4 Au9 Au5 115.77(3) . 2_676 ?
Au7 Au9 Au5 123.95(4) . 2_676 ?
Au2 Au9 Au5 65.56(3) 2_676 2_676 ?
Au3 Au9 Au5 170.31(2) . 2_676 ?
S15 Au9 Au6 90.52(8) . . ?
Au10 Au9 Au6 63.58(3) 2_676 . ?
Au1 Au9 Au6 111.18(2) . . ?
Au4 Au9 Au6 169.57(2) . . ?
Au7 Au9 Au6 65.88(3) . . ?
Au2 Au9 Au6 116.65(4) 2_676 . ?
Au3 Au9 Au6 117.96(3) . . ?
Au5 Au9 Au6 68.95(3) 2_676 . ?
S15 Au9 Au11 44.30(8) . . ?
Au10 Au9 Au11 166.68(2) 2_676 . ?
Au1 Au9 Au11 107.26(3) . . ?
Au4 Au9 Au11 59.80(3) . . ?
Au7 Au9 Au11 109.08(4) . . ?
Au2 Au9 Au11 115.15(3) 2_676 . ?
Au3 Au9 Au11 58.53(3) . . ?
Au5 Au9 Au11 124.07(3) 2_676 . ?
Au6 Au9 Au11 126.41(3) . . ?
S25 Au10 Au9 141.51(10) . 2_676 ?
S25 Au10 Au1 148.02(8) . . ?
Au9 Au10 Au1 61.38(3) 2_676 . ?
S25 Au10 Au2 141.13(10) . . ?
Au9 Au10 Au2 64.59(3) 2_676 . ?
Au1 Au10 Au2 59.84(4) . . ?
S25 Au10 Au3 105.50(10) . . ?
Au9 Au10 Au3 112.98(3) 2_676 . ?
Au1 Au10 Au3 58.76(2) . . ?
Au2 Au10 Au3 61.31(3) . . ?
S25 Au10 Au7 109.38(10) . 2_676 ?
Au9 Au10 Au7 60.66(3) 2_676 2_676 ?
Au1 Au10 Au7 56.48(4) . 2_676 ?
Au2 Au10 Au7 109.38(4) . 2_676 ?
Au3 Au10 Au7 104.86(3) . 2_676 ?
S25 Au10 Au6 77.99(10) . 2_676 ?
Au9 Au10 Au6 64.06(3) 2_676 2_676 ?
Au1 Au10 Au6 113.08(3) . 2_676 ?
Au2 Au10 Au6 122.12(3) . 2_676 ?
Au3 Au10 Au6 169.41(2) . 2_676 ?
Au7 Au10 Au6 64.65(3) 2_676 2_676 ?
S25 Au10 Au4 92.13(8) . . ?
Au9 Au10 Au4 109.45(4) 2_676 . ?
Au1 Au10 Au4 55.90(3) . . ?
Au2 Au10 Au4 104.76(3) . . ?
Au3 Au10 Au4 54.48(3) . . ?
Au7 Au10 Au4 59.85(3) 2_676 . ?
Au6 Au10 Au4 115.93(3) 2_676 . ?
S25 Au10 Au8 45.98(9) . . ?
Au9 Au10 Au8 168.87(2) 2_676 . ?
Au1 Au10 Au8 108.27(3) . . ?
Au2 Au10 Au8 115.01(3) . . ?
Au3 Au10 Au8 60.45(2) . . ?
Au7 Au10 Au8 110.95(3) 2_676 . ?
Au6 Au10 Au8 120.55(3) 2_676 . ?
Au4 Au10 Au8 59.52(3) . . ?
S25 Au10 Au5 98.56(9) . . ?
Au9 Au10 Au5 62.31(3) 2_676 . ?
Au1 Au10 Au5 113.42(3) . . ?
Au2 Au10 Au5 65.95(2) . . ?
Au3 Au10 Au5 120.66(3) . . ?
Au7 Au10 Au5 116.82(3) 2_676 . ?
Au6 Au10 Au5 67.87(3) 2_676 . ?
Au4 Au10 Au5 169.249(19) . . ?
Au8 Au10 Au5 128.42(3) . . ?
S24 Au11 S15 172.68(12) . . ?
S24 Au11 Au3 87.88(8) . . ?
S15 Au11 Au3 96.39(8) . . ?
S24 Au11 Au4 92.96(9) . . ?
S15 Au11 Au4 94.36(9) . . ?
Au3 Au11 Au4 53.25(3) . . ?
S24 Au11 Au9 140.11(8) . . ?
S15 Au11 Au9 46.34(8) . . ?
Au3 Au11 Au9 56.12(3) . . ?
Au4 Au11 Au9 53.19(2) . . ?
S16 Au12 S21 173.84(12) . . ?
S16 Au12 Au7 94.20(9) . . ?
S21 Au12 Au7 89.91(9) . . ?
S16 Au12 Au2 85.19(8) . . ?
S21 Au12 Au2 100.96(9) . . ?
Au7 Au12 Au2 52.67(2) . . ?
S16 Au12 Au3 138.18(8) . . ?
S21 Au12 Au3 47.90(8) . . ?
Au7 Au12 Au3 55.03(4) . . ?
Au2 Au12 Au3 54.24(3) . . ?
S28 Au13 S16 171.64(10) 2_676 . ?
S28 Au13 Au2 98.69(8) 2_676 . ?
S16 Au13 Au2 89.57(8) . . ?
S28 Au13 Au7 94.57(8) 2_676 . ?
S16 Au13 Au7 91.40(8) . . ?
Au2 Au13 Au7 53.429(19) . . ?
S28 Au13 Au4 45.89(7) 2_676 2_676 ?
S16 Au13 Au4 142.31(7) . 2_676 ?
Au2 Au13 Au4 55.71(3) . 2_676 ?
Au7 Au13 Au4 57.49(3) . 2_676 ?
C1_2005 S14 Au5 106.5(4) . . ?
C1_2005 S14 Au2 107.4(4) . . ?
Au5 S14 Au2 89.52(10) . . ?
C1_2002 S15 Au11 102.6(5) . . ?
C1_2002 S15 Au9 104.3(5) . . ?
Au11 S15 Au9 89.36(11) . . ?
C1_2006 S16 Au12 103.3(4) . . ?
C1_2006 S16 Au13 103.7(5) . . ?
Au12 S16 Au13 100.24(11) . . ?
C1_2008 S20 Au5 106.0(4) . . ?
C1_2008 S20 Au6 107.0(4) . 2_676 ?
Au5 S20 Au6 99.99(11) . 2_676 ?
C1_2004 S21 Au12 108.8(4) . . ?
C1_2004 S21 Au3 115.7(5) . . ?
Au12 S21 Au3 86.47(11) . . ?
C1_2001 S24 Au11 106.3(4) . . ?
C1_2001 S24 Au8 102.5(5) . . ?
Au11 S24 Au8 100.32(12) . . ?
C1_2007 S25 Au8 102.5(5) . . ?
C1_2007 S25 Au10 102.5(5) . . ?
Au8 S25 Au10 86.96(11) . . ?
C1_2009 S26 Au6 104.7(4) . . ?
C1_2009 S26 Au7 102.2(4) . . ?
Au6 S26 Au7 90.26(11) . . ?
C1_2003 S28 Au13 108.0(4) . 2_676 ?
C1_2003 S28 Au4 110.8(4) . . ?
Au13 S28 Au4 89.60(10) 2_676 . ?
C2_2001 C1_2001 S24 111.8(9) . . ?
C2_2001 C1_2001 H1A_2001 109.3 . . ?
S24 C1_2001 H1A_2001 109.3 . . ?
C2_2001 C1_2001 H1B_2001 109.3 . . ?
S24 C1_2001 H1B_2001 109.3 . . ?
H1A_2001 C1_2001 H1B_2001 107.9 . . ?
C3_2001 C2_2001 C1_2001 111.7(11) . . ?
C3_2001 C2_2001 H2A_2001 109.3 . . ?
C1_2001 C2_2001 H2A_2001 109.3 . . ?
C3_2001 C2_2001 H2B_2001 109.3 . . ?
C1_2001 C2_2001 H2B_2001 109.3 . . ?
H2A_2001 C2_2001 H2B_2001 107.9 . . ?
C4_2001 C3_2001 C8_2001 119.4(12) . . ?
C4_2001 C3_2001 C2_2001 121.2(11) . . ?
C8_2001 C3_2001 C2_2001 119.2(12) . . ?
C3_2001 C4_2001 C5_2001 120.8(12) . . ?
C3_2001 C4_2001 H4_2001 119.6 . . ?
C5_2001 C4_2001 H4_2001 119.6 . . ?
C6_2001 C5_2001 C4_2001 118.9(12) . . ?
C6_2001 C5_2001 H5_2001 120.6 . . ?
C4_2001 C5_2001 H5_2001 120.6 . . ?
C7_2001 C6_2001 C5_2001 121.6(12) . . ?
C7_2001 C6_2001 H6_2001 119.2 . . ?
C5_2001 C6_2001 H6_2001 119.2 . . ?
C6_2001 C7_2001 C8_2001 119.3(14) . . ?
C6_2001 C7_2001 H7_2001 120.3 . . ?
C8_2001 C7_2001 H7_2001 120.3 . . ?
C7_2001 C8_2001 C3_2001 120.0(14) . . ?
C7_2001 C8_2001 H8_2001 120.0 . . ?
C3_2001 C8_2001 H8_2001 120.0 . . ?
C2_2002 C1_2002 S15 109.4(12) . . ?
C2_2002 C1_2002 H1A_2002 109.8 . . ?
S15 C1_2002 H1A_2002 109.8 . . ?
C2_2002 C1_2002 H1B_2002 109.8 . . ?
S15 C1_2002 H1B_2002 109.8 . . ?
H1A_2002 C1_2002 H1B_2002 108.2 . . ?
C3_2002 C2_2002 C1_2002 115.6(17) . . ?
C3_2002 C2_2002 H2A_2002 108.4 . . ?
C1_2002 C2_2002 H2A_2002 108.4 . . ?
C3_2002 C2_2002 H2B_2002 108.4 . . ?
C1_2002 C2_2002 H2B_2002 108.4 . . ?
H2A_2002 C2_2002 H2B_2002 107.4 . . ?
C8_2002 C3_2002 C2_2002 126(2) . . ?
C8_2002 C3_2002 C4_2002 115(2) . . ?
C2_2002 C3_2002 C4_2002 120(2) . . ?
C3_2002 C4_2002 C5_2002 123(2) . . ?
C3_2002 C4_2002 H4_2002 118.4 . . ?
C5_2002 C4_2002 H4_2002 118.4 . . ?
C6_2002 C5_2002 C4_2002 120(3) . . ?
C6_2002 C5_2002 H5_2002 119.9 . . ?
C4_2002 C5_2002 H5_2002 119.9 . . ?
C5_2002 C6_2002 C7_2002 116(3) . . ?
C5_2002 C6_2002 H6_2002 122.1 . . ?
C7_2002 C6_2002 H6_2002 122.1 . . ?
C8_2002 C7_2002 C6_2002 123(2) . . ?
C8_2002 C7_2002 H7_2002 118.6 . . ?
C6_2002 C7_2002 H7_2002 118.6 . . ?
C3_2002 C8_2002 C7_2002 123(3) . . ?
C3_2002 C8_2002 H8_2002 118.4 . . ?
C7_2002 C8_2002 H8_2002 118.4 . . ?
C2_2003 C1_2003 S28 117.8(8) . . ?
C2_2003 C1_2003 H1A_2003 107.9 . . ?
S28 C1_2003 H1A_2003 107.9 . . ?
C2_2003 C1_2003 H1B_2003 107.9 . . ?
S28 C1_2003 H1B_2003 107.9 . . ?
H1A_2003 C1_2003 H1B_2003 107.2 . . ?
C1_2003 C2_2003 C3_2003 109.1(9) . . ?
C1_2003 C2_2003 H2A_2003 109.9 . . ?
C3_2003 C2_2003 H2A_2003 109.9 . . ?
C1_2003 C2_2003 H2B_2003 109.9 . . ?
C3_2003 C2_2003 H2B_2003 109.9 . . ?
H2A_2003 C2_2003 H2B_2003 108.3 . . ?
C8_2003 C3_2003 C4_2003 118.7(13) . . ?
C8_2003 C3_2003 C2_2003 122.9(12) . . ?
C4_2003 C3_2003 C2_2003 118.4(13) . . ?
C5_2003 C4_2003 C3_2003 121.6(16) . . ?
C5_2003 C4_2003 H4_2003 119.2 . . ?
C3_2003 C4_2003 H4_2003 119.2 . . ?
C6_2003 C5_2003 C4_2003 119.2(17) . . ?
C6_2003 C5_2003 H5_2003 120.4 . . ?
C4_2003 C5_2003 H5_2003 120.4 . . ?
C7_2003 C6_2003 C5_2003 120.5(15) . . ?
C7_2003 C6_2003 H6_2003 119.7 . . ?
C5_2003 C6_2003 H6_2003 119.7 . . ?
C6_2003 C7_2003 C8_2003 119.3(16) . . ?
C6_2003 C7_2003 H7_2003 120.4 . . ?
C8_2003 C7_2003 H7_2003 120.4 . . ?
C3_2003 C8_2003 C7_2003 120.7(15) . . ?
C3_2003 C8_2003 H8_2003 119.6 . . ?
C7_2003 C8_2003 H8_2003 119.6 . . ?
C2_2004 C1_2004 S21 116.1(11) . . ?
C2_2004 C1_2004 H1A_2004 108.3 . . ?
S21 C1_2004 H1A_2004 108.3 . . ?
C2_2004 C1_2004 H1B_2004 108.3 . . ?
S21 C1_2004 H1B_2004 108.3 . . ?
H1A_2004 C1_2004 H1B_2004 107.4 . . ?
C1_2004 C2_2004 C3_2004 109.4(14) . . ?
C1_2004 C2_2004 H2A_2004 109.8 . . ?
C3_2004 C2_2004 H2A_2004 109.8 . . ?
C1_2004 C2_2004 H2B_2004 109.8 . . ?
C3_2004 C2_2004 H2B_2004 109.8 . . ?
H2A_2004 C2_2004 H2B_2004 108.2 . . ?
C8_2004 C3_2004 C4_2004 115(2) . . ?
C8_2004 C3_2004 C2_2004 126(2) . . ?
C4_2004 C3_2004 C2_2004 118.2(16) . . ?
C3_2004 C4_2004 C5_2004 121(2) . . ?
C3_2004 C4_2004 H4_2004 119.5 . . ?
C5_2004 C4_2004 H4_2004 119.5 . . ?
C6_2004 C5_2004 C4_2004 120(3) . . ?
C6_2004 C5_2004 H5_2004 120.2 . . ?
C4_2004 C5_2004 H5_2004 120.2 . . ?
C7_2004 C6_2004 C5_2004 116(2) . . ?
C7_2004 C6_2004 H6_2004 122.1 . . ?
C5_2004 C6_2004 H6_2004 122.1 . . ?
C6_2004 C7_2004 C8_2004 128(3) . . ?
C6_2004 C7_2004 H7_2004 116.0 . . ?
C8_2004 C7_2004 H7_2004 116.0 . . ?
C3_2004 C8_2004 C7_2004 120(3) . . ?
C3_2004 C8_2004 H8_2004 119.9 . . ?
C7_2004 C8_2004 H8_2004 119.9 . . ?
C2_2005 C1_2005 S14 109.3(9) . . ?
C2_2005 C1_2005 H1A_2005 109.8 . . ?
S14 C1_2005 H1A_2005 109.8 . . ?
C2_2005 C1_2005 H1B_2005 109.8 . . ?
S14 C1_2005 H1B_2005 109.8 . . ?
H1A_2005 C1_2005 H1B_2005 108.3 . . ?
C3_2005 C2_2005 C1_2005 109.3(12) . . ?
C3_2005 C2_2005 H2A_2005 109.8 . . ?
C1_2005 C2_2005 H2A_2005 109.8 . . ?
C3_2005 C2_2005 H2B_2005 109.8 . . ?
C1_2005 C2_2005 H2B_2005 109.8 . . ?
H2A_2005 C2_2005 H2B_2005 108.3 . . ?
C8_2005 C3_2005 C4_2005 115.4(16) . . ?
C8_2005 C3_2005 C2_2005 123.8(15) . . ?
C4_2005 C3_2005 C2_2005 120.5(15) . . ?
C5_2005 C4_2005 C3_2005 122(2) . . ?
C5_2005 C4_2005 H4_2005 118.9 . . ?
C3_2005 C4_2005 H4_2005 118.9 . . ?
C4_2005 C5_2005 C6_2005 116.1(18) . . ?
C4_2005 C5_2005 H5_2005 121.9 . . ?
C6_2005 C5_2005 H5_2005 121.9 . . ?
C7_2005 C6_2005 C5_2005 120.8(17) . . ?
C7_2005 C6_2005 H6_2005 119.6 . . ?
C5_2005 C6_2005 H6_2005 119.6 . . ?
C8_2005 C7_2005 C6_2005 118.4(16) . . ?
C8_2005 C7_2005 H7_2005 120.8 . . ?
C6_2005 C7_2005 H7_2005 120.8 . . ?
C7_2005 C8_2005 C3_2005 127.1(16) . . ?
C7_2005 C8_2005 H8_2005 116.5 . . ?
C3_2005 C8_2005 H8_2005 116.5 . . ?
C2_2006 C1_2006 S16 111.4(9) . . ?
C2_2006 C1_2006 H1A_2006 109.4 . . ?
S16 C1_2006 H1A_2006 109.4 . . ?
C2_2006 C1_2006 H1B_2006 109.4 . . ?
S16 C1_2006 H1B_2006 109.4 . . ?
H1A_2006 C1_2006 H1B_2006 108.0 . . ?
C1_2006 C2_2006 C3_2006 111.4(10) . . ?
C1_2006 C2_2006 H2A_2006 109.3 . . ?
C3_2006 C2_2006 H2A_2006 109.3 . . ?
C1_2006 C2_2006 H2B_2006 109.3 . . ?
C3_2006 C2_2006 H2B_2006 109.3 . . ?
H2A_2006 C2_2006 H2B_2006 108.0 . . ?
C4_2006 C3_2006 C8_2006 119.0(13) . . ?
C4_2006 C3_2006 C2_2006 121.8(13) . . ?
C8_2006 C3_2006 C2_2006 119.2(13) . . ?
C3_2006 C4_2006 C5_2006 122.7(17) . . ?
C3_2006 C4_2006 H4_2006 118.7 . . ?
C5_2006 C4_2006 H4_2006 118.7 . . ?
C6_2006 C5_2006 C4_2006 117(2) . . ?
C6_2006 C5_2006 H5_2006 121.4 . . ?
C4_2006 C5_2006 H5_2006 121.4 . . ?
C5_2006 C6_2006 C7_2006 122.9(17) . . ?
C5_2006 C6_2006 H6_2006 118.5 . . ?
C7_2006 C6_2006 H6_2006 118.5 . . ?
C8_2006 C7_2006 C6_2006 117.8(17) . . ?
C8_2006 C7_2006 H7_2006 121.1 . . ?
C6_2006 C7_2006 H7_2006 121.1 . . ?
C3_2006 C8_2006 C7_2006 120.4(17) . . ?
C3_2006 C8_2006 H8_2006 119.8 . . ?
C7_2006 C8_2006 H8_2006 119.8 . . ?
C2_2007 C1_2007 S25 95(2) . . ?
C2_2007 C1_2007 H1A_2007 112.8 . . ?
S25 C1_2007 H1A_2007 112.8 . . ?
C2_2007 C1_2007 H1B_2007 112.8 . . ?
S25 C1_2007 H1B_2007 112.8 . . ?
H1A_2007 C1_2007 H1B_2007 110.2 . . ?
C1_2007 C2_2007 C3_2007 91.4(19) . . ?
C1_2007 C2_2007 H2A_2007 113.4 . . ?
C3_2007 C2_2007 H2A_2007 113.4 . . ?
C1_2007 C2_2007 H2B_2007 113.4 . . ?
C3_2007 C2_2007 H2B_2007 113.4 . . ?
H2A_2007 C2_2007 H2B_2007 110.7 . . ?
C8_2007 C3_2007 C4_2007 116.9(16) . . ?
C8_2007 C3_2007 C2_2007 117.1(18) . . ?
C4_2007 C3_2007 C2_2007 123.9(19) . . ?
C5_2007 C4_2007 C3_2007 123.2(19) . . ?
C5_2007 C4_2007 H4_2007 118.4 . . ?
C3_2007 C4_2007 H4_2007 118.4 . . ?
C4_2007 C5_2007 C6_2007 119.4(16) . . ?
C4_2007 C5_2007 H5_2007 120.3 . . ?
C6_2007 C5_2007 H5_2007 120.3 . . ?
C7_2007 C6_2007 C5_2007 120.1(15) . . ?
C7_2007 C6_2007 H6_2007 120.0 . . ?
C5_2007 C6_2007 H6_2007 120.0 . . ?
C6_2007 C7_2007 C8_2007 120.4(16) . . ?
C6_2007 C7_2007 H7_2007 119.8 . . ?
C8_2007 C7_2007 H7_2007 119.8 . . ?
C7_2007 C8_2007 C3_2007 119.9(17) . . ?
C7_2007 C8_2007 H8_2007 120.1 . . ?
C3_2007 C8_2007 H8_2007 120.1 . . ?
C2_2008 C1_2008 S20 112.2(9) . . ?
C2_2008 C1_2008 H1A_2008 109.2 . . ?
S20 C1_2008 H1A_2008 109.2 . . ?
C2_2008 C1_2008 H1B_2008 109.2 . . ?
S20 C1_2008 H1B_2008 109.2 . . ?
H1A_2008 C1_2008 H1B_2008 107.9 . . ?
C3_2008 C2_2008 C1_2008 116.1(10) . . ?
C3_2008 C2_2008 H2A_2008 108.2 . . ?
C1_2008 C2_2008 H2A_2008 108.2 . . ?
C3_2008 C2_2008 H2B_2008 108.2 . . ?
C1_2008 C2_2008 H2B_2008 108.2 . . ?
H2A_2008 C2_2008 H2B_2008 107.4 . . ?
C8_2008 C3_2008 C4_2008 119.2(13) . . ?
C8_2008 C3_2008 C2_2008 120.5(11) . . ?
C4_2008 C3_2008 C2_2008 120.2(12) . . ?
C5_2008 C4_2008 C3_2008 119.8(13) . . ?
C5_2008 C4_2008 H4_2008 120.1 . . ?
C3_2008 C4_2008 H4_2008 120.1 . . ?
C4_2008 C5_2008 C6_2008 120.8(12) . . ?
C4_2008 C5_2008 H5_2008 119.6 . . ?
C6_2008 C5_2008 H5_2008 119.6 . . ?
C7_2008 C6_2008 C5_2008 118.4(13) . . ?
C7_2008 C6_2008 H6_2008 120.8 . . ?
C5_2008 C6_2008 H6_2008 120.8 . . ?
C6_2008 C7_2008 C8_2008 121.9(14) . . ?
C6_2008 C7_2008 H7_2008 119.0 . . ?
C8_2008 C7_2008 H7_2008 119.0 . . ?
C3_2008 C8_2008 C7_2008 119.9(13) . . ?
C3_2008 C8_2008 H8_2008 120.0 . . ?
C7_2008 C8_2008 H8_2008 120.0 . . ?
C2_2009 C1_2009 S26 110.4(8) . . ?
C2_2009 C1_2009 H1A_2009 109.6 . . ?
S26 C1_2009 H1A_2009 109.6 . . ?
C2_2009 C1_2009 H1B_2009 109.6 . . ?
S26 C1_2009 H1B_2009 109.6 . . ?
H1A_2009 C1_2009 H1B_2009 108.1 . . ?
C1_2009 C2_2009 C3_2009 113.1(10) . . ?
C1_2009 C2_2009 H2A_2009 109.0 . . ?
C3_2009 C2_2009 H2A_2009 109.0 . . ?
C1_2009 C2_2009 H2B_2009 109.0 . . ?
C3_2009 C2_2009 H2B_2009 109.0 . . ?
H2A_2009 C2_2009 H2B_2009 107.8 . . ?
C4_2009 C3_2009 C8_2009 117.4(13) . . ?
C4_2009 C3_2009 C2_2009 119.2(13) . . ?
C8_2009 C3_2009 C2_2009 123.4(11) . . ?
C5_2009 C4_2009 C3_2009 122.0(18) . . ?
C5_2009 C4_2009 H4_2009 119.0 . . ?
C3_2009 C4_2009 H4_2009 119.0 . . ?
C4_2009 C5_2009 C6_2009 119.9(18) . . ?
C4_2009 C5_2009 H5_2009 120.1 . . ?
C6_2009 C5_2009 H5_2009 120.1 . . ?
C7_2009 C6_2009 C5_2009 120.5(18) . . ?
C7_2009 C6_2009 H6_2009 119.7 . . ?
C5_2009 C6_2009 H6_2009 119.7 . . ?
C6_2009 C7_2009 C8_2009 119.1(18) . . ?
C6_2009 C7_2009 H7_2009 120.4 . . ?
C8_2009 C7_2009 H7_2009 120.4 . . ?
C3_2009 C8_2009 C7_2009 120.9(14) . . ?
C3_2009 C8_2009 H8_2009 119.5 . . ?
C7_2009 C8_2009 H8_2009 119.5 . . ?
C10_2010 C9_2010 C15_2010 117.3(16) . . ?
C10_2010 C9_2010 H9_2010 121.4 . . ?
C15_2010 C9_2010 H9_2010 121.4 . . ?
C9_2010 C10_2010 C11_2010 121.6(15) . . ?
C9_2010 C10_2010 H10_2010 119.2 . . ?
C11_2010 C10_2010 H10_2010 119.2 . . ?
C12_2010 C11_2010 C10_2010 119.2(15) . . ?
C12_2010 C11_2010 H11_2010 120.4 . . ?
C10_2010 C11_2010 H11_2010 120.4 . . ?
C14_2010 C12_2010 C11_2010 120.3(14) . . ?
C14_2010 C12_2010 C13_2010 118.8(15) . . ?
C11_2010 C12_2010 C13_2010 120.8(15) . . ?
C14_2010 C12_2010 H12_2010 119.9 . . ?
C11_2010 C12_2010 H12_2010 119.9 . . ?
C13_2010 C12_2010 H12_2010 4.9 . . ?
C12_2010 C13_2010 H13A_2010 109.5 . . ?
C12_2010 C13_2010 H13B_2010 109.5 . . ?
H13A_2010 C13_2010 H13B_2010 109.5 . . ?
C12_2010 C13_2010 H13C_2010 109.5 . . ?
H13A_2010 C13_2010 H13C_2010 109.5 . . ?
H13B_2010 C13_2010 H13C_2010 109.5 . . ?
C15_2010 C14_2010 C12_2010 119.7(15) . . ?
C15_2010 C14_2010 H14_2010 120.1 . . ?
C12_2010 C14_2010 H14_2010 120.1 . . ?
C14_2010 C15_2010 C9_2010 121.9(17) . . ?
C14_2010 C15_2010 H15_2010 119.0 . . ?
C9_2010 C15_2010 H15_2010 119.0 . . ?

_refine_diff_density_max         2.625
_refine_diff_density_min         -2.947
_refine_diff_density_rms         0.583

_shelxl_version_number           2013-4

####################################################################### 
# 
# 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_ca01_xs_redo_r5
_database_code_depnum_ccdc_archive 'CCDC 1055144'
_audit_update_record             
;
2015-03-30 deposited with the CCDC.
2015-11-24 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        'Au25(PET)18 +1'
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C144 H180 Au25 F6 P S18'
_chemical_formula_weight         7557.08

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'
F F 0.0171 0.0103 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'

_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.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.8533(7)
_cell_length_b                   17.7750(8)
_cell_length_c                   18.2364(8)
_cell_angle_alpha                93.765(2)
_cell_angle_beta                 114.867(2)
_cell_angle_gamma                112.147(2)
_cell_volume                     4424.4(3)
_cell_formula_units_Z            1
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            Black
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    2.836
_exptl_crystal_F_000             3376
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.238
_exptl_crystal_size_mid          0.136
_exptl_crystal_size_min          0.092
_exptl_absorpt_coefficient_mu    20.897
_shelx_estimated_absorpt_T_min   0.083
_shelx_estimated_absorpt_T_max   0.249
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            218410
_diffrn_reflns_av_unetI/netI     0.0528
_diffrn_reflns_av_R_equivalents  0.1116
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_theta_min         1.420
_diffrn_reflns_theta_max         28.399
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             22176
_reflns_number_gt                16640
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_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.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0740P)²+120.1930P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         22176
_refine_ls_number_parameters     907
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0482
_refine_ls_wR_factor_ref         0.1501
_refine_ls_wR_factor_gt          0.1268
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_restrained_S_all      1.074
_refine_ls_shift/su_max          0.157
_refine_ls_shift/su_mean         0.002

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 1.0000 0.5000 0.5000 0.01143(13) Uani 1 2 d S . P . .
Au2 Au 1.13667(4) 0.52373(3) 0.31115(3) 0.01943(11) Uani 1 1 d . . . . .
Au3 Au 1.22037(4) 0.72330(3) 0.43372(3) 0.01890(11) Uani 1 1 d . . . . .
Au4 Au 1.02055(4) 0.57671(3) 0.37435(3) 0.01684(11) Uani 1 1 d . . . . .
Au5 Au 0.82034(4) 0.43474(4) 0.50143(4) 0.02214(12) Uani 1 1 d . . . . .
Au6 Au 0.82055(4) 0.59766(3) 0.25986(3) 0.02111(12) Uani 1 1 d . . . . .
Au7 Au 0.82532(4) 0.44665(3) 0.34578(3) 0.01692(11) Uani 1 1 d . . . . .
Au8 Au 0.94820(4) 0.22576(3) 0.38356(3) 0.01826(11) Uani 1 1 d . . . . .
Au9 Au 0.76371(4) 0.26812(3) 0.23645(3) 0.01932(11) Uani 1 1 d . . . . .
Au10 Au 0.97252(4) 0.39823(3) 0.35876(3) 0.01880(11) Uani 1 1 d . . . . .
Au11 Au 0.69007(4) 0.51761(3) 0.36896(3) 0.01983(11) Uani 1 1 d . . . . .
Au12 Au 0.87272(4) 0.32576(3) 0.44209(4) 0.02219(12) Uani 1 1 d . . . . .
Au13 Au 0.91192(4) 0.60289(3) 0.44883(4) 0.02605(13) Uani 1 1 d . . . . .
S1 S 0.8022(3) 0.1581(2) 0.2604(2) 0.0221(7) Uani 1 1 d . . . . .
S3 S 0.6988(3) 0.4763(2) 0.4877(2) 0.0212(7) Uani 1 1 d . . . . .
S2 S 1.0952(3) 0.2765(2) 0.5049(2) 0.0207(7) Uani 1 1 d . . . . .
S4 S 0.6721(3) 0.5684(2) 0.2528(2) 0.0234(7) Uani 1 1 d . . . . .
S5 S 0.9622(3) 0.6263(2) 0.2530(2) 0.0210(7) Uani 1 1 d . . . . .
S6 S 0.7276(3) 0.3773(2) 0.1993(2) 0.0210(7) Uani 1 1 d . . . . .
S7 S 1.2537(3) 0.6594(2) 0.3447(2) 0.0208(7) Uani 1 1 d . . . . .
S8 S 1.0268(3) 0.3830(2) 0.2628(2) 0.0201(7) Uani 1 1 d . . . . .
S9 S 1.1926(3) 0.7989(2) 0.5190(2) 0.0216(7) Uani 1 1 d . . . . .
C1 C 1.0597(11) 0.2115(9) 0.5684(10) 0.027(3) Uani 1 1 d . . . . .
H1 H 1.0469 0.2295 0.6107 0.033 Uiso 1 1 calc R U . . .
H1A H 1.1082 0.2396 0.6283 0.033 Uiso 1 1 calc R U . . .
H1B H 0.9955 0.2055 0.5603 0.033 Uiso 1 1 calc R U . . .
C2 C 1.1077(11) 0.3331(9) 0.3008(9) 0.024(3) Uani 1 1 d . . . . .
H2 H 1.1216 0.3141 0.3502 0.029 Uiso 1 1 calc R U . . .
H2A H 1.1616 0.3667 0.3579 0.029 Uiso 1 1 calc R U . . .
H2B H 1.0708 0.2762 0.3043 0.029 Uiso 1 1 calc R U . . .
C3 C 0.9233(11) 0.5371(10) 0.1685(10) 0.028(3) Uani 1 1 d . . . . .
H3 H 0.9348 0.4895 0.1783 0.034 Uiso 1 1 calc R U . . .
H3A H 0.9815 0.5307 0.1748 0.034 Uiso 1 1 calc R U . . .
H3B H 0.8793 0.4850 0.1743 0.034 Uiso 1 1 calc R U . . .
C4 C 0.6720(12) 0.6694(11) 0.2794(11) 0.032(4) Uani 1 1 d . . . . .
H4 H 0.7231 0.7230 0.2900 0.039 Uiso 1 1 calc R U . . .
H4A H 0.7293 0.7041 0.3347 0.039 Uiso 1 1 calc R U . . .
H4B H 0.6772 0.7003 0.2371 0.039 Uiso 1 1 calc R U . . .
C5 C 0.5781(12) 0.6556(11) 0.2821(13) 0.038(4) Uani 1 1 d . . . . .
H5 H 0.5311 0.6017 0.2765 0.045 Uiso 1 1 calc R U . . .
H5A H 0.5214 0.6152 0.2290 0.045 Uiso 1 1 calc R U . . .
H5B H 0.5769 0.6296 0.3283 0.045 Uiso 1 1 calc R U . . .
C6 C 0.5664(11) 0.7344(10) 0.2945(11) 0.029(3) Uani 1 1 d . . . . .
C7 C 0.5735(14) 0.7696(11) 0.3678(11) 0.037(4) Uani 1 1 d . . . . .
H7 H 0.5896 0.7449 0.4133 0.045 Uiso 1 1 calc R U . . .
C8 C 0.5585(16) 0.8376(12) 0.3772(13) 0.048(5) Uani 1 1 d . . . . .
H8 H 0.5645 0.8603 0.4290 0.057 Uiso 1 1 calc R U . . .
C9 C 0.5343(13) 0.8750(11) 0.3122(14) 0.043(5) Uani 1 1 d . . . . .
H9 H 0.5229 0.9228 0.3190 0.051 Uiso 1 1 calc R U . . .
C10 C 0.5267(15) 0.8425(12) 0.2375(12) 0.043(5) Uani 1 1 d . . . . .
H10 H 0.5092 0.8671 0.1921 0.052 Uiso 1 1 calc R U . . .
C11 C 0.5449(15) 0.7739(12) 0.2294(12) 0.041(4) Uani 1 1 d . . . . .
H11 H 0.5428 0.7529 0.1790 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5855(10) 0.3785(10) 0.4547(9) 0.023(3) Uani 1 1 d . . . . .
H12 H 0.5833 0.3244 0.4563 0.027 Uiso 1 1 calc R U . . .
H12A H 0.5764 0.3374 0.4089 0.027 Uiso 1 1 calc R U . . .
H12B H 0.5919 0.3533 0.5025 0.027 Uiso 1 1 calc R U . . .
C13 C 0.4972(11) 0.3950(10) 0.4249(10) 0.026(3) Uani 1 1 d . . . . .
H13 H 0.4998 0.4485 0.4188 0.031 Uiso 1 1 calc R U . . .
H13A H 0.5100 0.4408 0.4685 0.031 Uiso 1 1 calc R U . . .
H13B H 0.4876 0.4150 0.3738 0.031 Uiso 1 1 calc R U . . .
C14 C 0.4051(11) 0.3199(10) 0.4057(9) 0.022(3) Uani 1 1 d . . . . .
C15 C 0.3549(11) 0.3209(11) 0.4491(10) 0.029(3) Uani 1 1 d . . . . .
H15 H 0.3801 0.3691 0.4929 0.035 Uiso 1 1 calc R U . . .
C16 C 0.2674(13) 0.2515(13) 0.4286(12) 0.040(5) Uani 1 1 d . . . . .
H16 H 0.2305 0.2546 0.4551 0.048 Uiso 1 1 calc R U . . .
C17 C 0.2342(14) 0.1790(13) 0.3709(15) 0.049(6) Uani 1 1 d . . . . .
H17 H 0.1770 0.1307 0.3605 0.059 Uiso 1 1 calc R U . . .
C18 C 0.3693(12) 0.2473(11) 0.3442(11) 0.034(4) Uani 1 1 d . . . . .
H18 H 0.4028 0.2462 0.3136 0.040 Uiso 1 1 calc R U . . .
C19 C 0.6002(11) 0.3474(10) 0.1644(9) 0.027(3) Uani 1 1 d . . . . .
H19 H 0.5617 0.3604 0.1163 0.032 Uiso 1 1 calc R U . . .
H19A H 0.5908 0.3991 0.1635 0.032 Uiso 1 1 calc R U . . .
H19B H 0.5621 0.3117 0.1059 0.032 Uiso 1 1 calc R U . . .
C20 C 0.5575(11) 0.3006(10) 0.2153(10) 0.026(3) Uani 1 1 d . . . . .
H20 H 0.5936 0.2854 0.2627 0.031 Uiso 1 1 calc R U . . .
H20A H 0.5957 0.3352 0.2742 0.031 Uiso 1 1 calc R U . . .
H20B H 0.5637 0.2474 0.2145 0.031 Uiso 1 1 calc R U . . .
C21 C 0.4500(11) 0.2803(11) 0.1824(9) 0.028(3) Uani 1 1 d . . . . .
C22 C 0.4244(13) 0.3454(11) 0.1864(11) 0.032(4) Uani 1 1 d . . . . .
H22 H 0.4736 0.4021 0.2110 0.038 Uiso 1 1 calc R U . . .
C23 C 0.3262(14) 0.3273(12) 0.1539(12) 0.040(4) Uani 1 1 d . . . . .
H23 H 0.3088 0.3722 0.1555 0.048 Uiso 1 1 calc R U . . .
C24 C 1.1500(11) 0.3258(10) 0.2436(10) 0.026(3) Uani 1 1 d . . . . .
H24 H 1.1374 0.2732 0.2138 0.032 Uiso 1 1 calc R U . . .
H24A H 1.1890 0.2944 0.2639 0.032 Uiso 1 1 calc R U . . .
H24B H 1.0955 0.2925 0.1867 0.032 Uiso 1 1 calc R U . . .
C25 C 1.2125(11) 0.4076(9) 0.2381(9) 0.022(3) Uani 1 1 d . . . . .
C26 C 1.3065(11) 0.4622(11) 0.3069(10) 0.027(3) Uani 1 1 d . . . . .
H26 H 1.3302 0.4448 0.3567 0.033 Uiso 1 1 calc R U . . .
C27 C 1.3632(13) 0.5388(12) 0.3030(11) 0.035(4) Uani 1 1 d . . . . .
H27 H 1.4248 0.5744 0.3502 0.042 Uiso 1 1 calc R U . . .
C28 C 1.3315(12) 0.5651(11) 0.2306(11) 0.031(4) Uani 1 1 d . . . . .
H28 H 1.3721 0.6181 0.2282 0.038 Uiso 1 1 calc R U . . .
C29 C 1.2401(14) 0.5141(11) 0.1611(11) 0.035(4) Uani 1 1 d . . . . .
H29 H 1.2175 0.5322 0.1117 0.043 Uiso 1 1 calc R U . . .
C30 C 1.1814(11) 0.4340(10) 0.1660(10) 0.025(3) Uani 1 1 d . . . . .
H30 H 1.1198 0.3982 0.1188 0.030 Uiso 1 1 calc R U . . .
C31 C 1.3129(10) 0.8728(8) 0.6033(8) 0.020(3) Uani 1 1 d . . . . .
H31 H 1.3305 0.9308 0.6213 0.023 Uiso 1 1 calc R U . . .
H31A H 1.3428 0.9184 0.5811 0.023 Uiso 1 1 calc R U . . .
H31B H 1.3047 0.8987 0.6476 0.023 Uiso 1 1 calc R U . . .
C32 C 1.3812(10) 0.8368(9) 0.6417(9) 0.024(3) Uani 1 1 d . . . . .
H32 H 1.3647 0.7789 0.6242 0.028 Uiso 1 1 calc R U . . .
H32A H 1.3903 0.8112 0.5977 0.028 Uiso 1 1 calc R U . . .
H32B H 1.3518 0.7912 0.6641 0.028 Uiso 1 1 calc R U . . .
C33 C 1.4816(10) 0.9015(9) 0.7127(9) 0.023(3) Uani 1 1 d . . . . .
C35 C 1.6540(11) 0.9880(11) 0.7709(11) 0.033(4) Uani 1 1 d . . . . .
H35 H 1.7116 1.0037 0.7658 0.040 Uiso 1 1 calc R U . . .
C34 C 1.5651(12) 0.9278(10) 0.7072(10) 0.029(3) Uani 1 1 d . . . . .
H34 H 1.5623 0.9038 0.6576 0.035 Uiso 1 1 calc R U . . .
C37 C 0.9357(11) 0.6181(10) 0.0618(9) 0.026(3) Uani 1 1 d . . . . .
C38 C 1.0093(12) 0.6118(10) 0.0482(9) 0.028(3) Uani 1 1 d . . . . .
H38 H 1.0185 0.5624 0.0527 0.033 Uiso 1 1 calc R U . . .
C36 C 0.8705(13) 0.5469(12) 0.0808(10) 0.036(4) Uani 1 1 d . . . . .
H36 H 0.8035 0.5116 0.0423 0.044 Uiso 1 1 calc R U . . .
H36A H 0.8442 0.4937 0.0388 0.044 Uiso 1 1 calc R U . . .
H36B H 0.8146 0.5567 0.0755 0.044 Uiso 1 1 calc R U . . .
C39 C 1.2058(11) 0.6911(9) 0.2499(9) 0.022(3) Uani 1 1 d . . . . .
H39 H 1.1482 0.6546 0.1996 0.027 Uiso 1 1 calc R U . . .
H39A H 1.2024 0.6550 0.2038 0.027 Uiso 1 1 calc R U . . .
H39B H 1.1385 0.6823 0.2342 0.027 Uiso 1 1 calc R U . . .
C41 C 1.2629(12) 0.8481(9) 0.3155(9) 0.027(3) Uani 1 1 d . . . . .
C40 C 1.2698(13) 0.7854(10) 0.2599(10) 0.031(4) Uani 1 1 d . . . . .
H40 H 1.3095 0.8023 0.2337 0.037 Uiso 1 1 calc R U . . .
H40A H 1.3389 0.7958 0.2839 0.037 Uiso 1 1 calc R U . . .
H40B H 1.2496 0.7958 0.2037 0.037 Uiso 1 1 calc R U . . .
C42 C 1.1775(14) 0.8546(10) 0.2923(11) 0.034(4) Uani 1 1 d . . . . .
H42 H 1.1197 0.8165 0.2430 0.040 Uiso 1 1 calc R U . . .
C45 C 1.4856(10) 0.9395(9) 0.7838(9) 0.022(3) Uani 1 1 d . . . . .
H45 H 1.4279 0.9235 0.7887 0.026 Uiso 1 1 calc R U . . .
C43 C 1.6580(14) 1.0252(10) 0.8423(11) 0.039(4) Uani 1 1 d . . . . .
H43 H 1.7183 1.0671 0.8868 0.046 Uiso 1 1 calc R U . . .
C44 C 1.5743(14) 1.0010(11) 0.8479(11) 0.038(4) Uani 1 1 d . . . . .
H44 H 1.5767 1.0268 0.8966 0.046 Uiso 1 1 calc R U . . .
C46 C 1.0683(14) 0.6747(13) 0.0286(11) 0.043(5) Uani 1 1 d . . . . .
H46 H 1.1157 0.6679 0.0173 0.051 Uiso 1 1 calc R U . . .
C47 C 1.0582(13) 0.7478(13) 0.0255(12) 0.044(5) Uani 1 1 d . . . . .
H47 H 1.1012 0.7928 0.0149 0.052 Uiso 1 1 calc R U . . .
C49 C 0.9278(15) 0.6923(13) 0.0578(12) 0.043(5) Uani 1 1 d . . . . .
H49 H 0.8809 0.6999 0.0693 0.051 Uiso 1 1 calc R U . . .
C48 C 0.9868(17) 0.7565(13) 0.0374(13) 0.050(5) Uani 1 1 d . . . . .
H48 H 0.9776 0.8057 0.0318 0.060 Uiso 1 1 calc R U . . .
C51 C 0.9716(13) 0.0724(9) 0.4603(11) 0.029(3) Uani 1 1 d . . . . .
C55 C 0.8759(13) 0.0349(10) 0.4461(11) 0.033(4) Uani 1 1 d . . . . .
H55 H 0.8619 0.0445 0.4901 0.040 Uiso 1 1 calc R U . . .
C50 C 1.0531(14) 0.1260(10) 0.5466(11) 0.043(5) Uani 1 1 d . . . . .
H50 H 1.0964 0.1072 0.5838 0.051 Uiso 1 1 calc R U . . .
H50A H 1.1159 0.1327 0.5505 0.051 Uiso 1 1 calc R U . . .
H50B H 1.0436 0.0962 0.5884 0.051 Uiso 1 1 calc R U . . .
C52 C 0.9914(17) 0.0594(11) 0.3951(14) 0.046(5) Uani 1 1 d . . . . .
H52 H 1.0571 0.0843 0.4056 0.056 Uiso 1 1 calc R U . . .
C54 C 0.820(2) -0.0280(13) 0.3026(14) 0.061(7) Uani 1 1 d . . . . .
H54 H 0.7675 -0.0625 0.2489 0.073 Uiso 1 1 calc R U . . .
C53 C 0.916(2) 0.0100(14) 0.3139(13) 0.063(8) Uani 1 1 d . . . . .
H53 H 0.9290 0.0027 0.2688 0.076 Uiso 1 1 calc R U . . .
C59 C 1.3474(14) 0.9022(10) 0.3874(11) 0.041(5) Uani 1 1 d . . . . .
H59 H 1.4068 0.8984 0.4026 0.049 Uiso 1 1 calc R U . . .
C58 C 1.3438(15) 0.9628(11) 0.4375(11) 0.043(5) Uani 1 1 d . . . . .
H58 H 1.4004 0.9980 0.4890 0.052 Uiso 1 1 calc R U . . .
C56 C 1.1753(16) 0.9161(13) 0.3406(14) 0.048(5) Uani 1 1 d . . . . .
H56 H 1.1162 0.9206 0.3242 0.058 Uiso 1 1 calc R U . . .
C57 C 1.260(2) 0.9721(13) 0.4138(15) 0.057(6) Uani 1 1 d . . . . .
H57 H 1.2599 1.0159 0.4463 0.069 Uiso 1 1 calc R U . . .
C62 C 0.3802(12) 0.1990(11) 0.1473(11) 0.034(4) Uani 1 1 d . . . . .
H62 H 0.3978 0.1545 0.1439 0.040 Uiso 1 1 calc R U . . .
C61 C 0.2807(12) 0.1813(13) 0.1158(11) 0.038(4) Uani 1 1 d . . . . .
H61 H 0.2316 0.1245 0.0916 0.046 Uiso 1 1 calc R U . . .
C60 C 0.2539(13) 0.2452(15) 0.1197(13) 0.051(5) Uani 1 1 d . . . . .
H60 H 0.1872 0.2330 0.0992 0.061 Uiso 1 1 calc R U . . .
C65 C 0.6901(14) 0.1326(12) 0.0582(10) 0.037(4) Uani 1 1 d . . . . .
C63 C 0.8387(12) 0.1413(12) 0.1820(11) 0.035(4) Uani 1 1 d . . . . .
H63 H 0.9049 0.1621 0.1940 0.042 Uiso 1 1 calc R U . . .
H63A H 0.8789 0.1967 0.1781 0.042 Uiso 1 1 calc R U . . .
H63B H 0.8799 0.1115 0.2006 0.042 Uiso 1 1 calc R U . . .
C64 C 0.7550(13) 0.0920(11) 0.0982(10) 0.037(4) Uani 1 1 d . . . . .
H64 H 0.7431 0.0383 0.0714 0.045 Uiso 1 1 calc R U . . .
H64A H 0.7150 0.0369 0.1027 0.045 Uiso 1 1 calc R U . . .
H64B H 0.7803 0.0809 0.0607 0.045 Uiso 1 1 calc R U . . .
C69 C 0.7234(16) 0.2023(14) 0.0300(11) 0.047(5) Uani 1 1 d . . . . .
H69 H 0.7858 0.2217 0.0330 0.056 Uiso 1 1 calc R U . . .
C67 C 0.5442(15) 0.1450(17) 0.0195(11) 0.056(6) Uani 1 1 d . . . . .
H67 H 0.4812 0.1247 0.0152 0.067 Uiso 1 1 calc R U . . .
C66 C 0.5999(14) 0.1048(13) 0.0530(11) 0.046(5) Uani 1 1 d . . . . .
H66 H 0.5763 0.0575 0.0728 0.055 Uiso 1 1 calc R U . . .
C68 C 0.577(2) 0.214(2) -0.0083(13) 0.074(9) Uani 1 1 d . . . . .
H68 H 0.5370 0.2415 -0.0315 0.089 Uiso 1 1 calc R U . . .
C70 C 0.667(2) 0.2446(19) -0.0029(13) 0.070(8) Uani 1 1 d . . . . .
H70 H 0.6905 0.2932 -0.0209 0.084 Uiso 1 1 calc R U . . .
C71 C 0.2845(15) 0.1760(13) 0.3271(15) 0.054(6) Uani 1 1 d . . . . .
H71 H 0.2613 0.1261 0.2862 0.065 Uiso 1 1 calc R U . . .
C72 C 0.8013(14) -0.0161(11) 0.3681(14) 0.046(5) Uani 1 1 d . . . . .
H72 H 0.7362 -0.0434 0.3593 0.055 Uiso 1 1 calc R U . . .
F5 F 0.0546(19) 1.0634(14) 0.9488(18) 0.151(10) Uani 1 1 d . . . . .
F6 F 0.116(3) 1.0009(18) 0.891(2) 0.197(14) Uani 1 1 d . . . . .
P3 P 0.0191(11) 0.9701(8) 0.9007(9) 0.141(5) Uani 1 1 d . . . . .
F7 F 0.001(2) 0.8880(14) 0.8653(19) 0.146(10) Uani 1 1 d . . . . .
F8 F -0.062(3) 0.934(2) 0.918(3) 0.28(3) Uani 1 1 d . . . . .
F11 F -0.0427(16) 1.0100(18) 0.8186(11) 0.150(10) Uani 1 1 d . . . . .
F13 F 0.092(4) 0.953(3) 0.985(4) 0.30(3) Uani 1 1 d . . . . .


_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 Au13 2.7432(5) 2_766 ?
Au1 Au13 2.7432(5) . ?
Au1 Au10 2.8062(5) . ?
Au1 Au10 2.8062(5) 2_766 ?
Au1 Au5 2.8172(5) . ?
Au1 Au5 2.8172(5) 2_766 ?
Au1 Au4 2.8197(5) 2_766 ?
Au1 Au4 2.8198(5) . ?
Au1 Au12 2.8222(5) 2_766 ?
Au1 Au12 2.8223(5) . ?
Au1 Au7 2.8385(5) 2_766 ?
Au1 Au7 2.8385(5) . ?
Au2 S7 2.298(4) . ?
Au2 S8 2.303(4) . ?
Au2 Au4 3.0316(7) . ?
Au2 Au5 3.1520(8) 2_766 ?
Au2 Au10 3.3175(7) . ?
Au3 S7 2.291(3) . ?
Au3 S9 2.292(4) . ?
Au3 Au4 3.0414(7) . ?
Au3 Au5 3.0703(8) 2_766 ?
Au3 Au12 3.2509(7) 2_766 ?
Au4 S5 2.391(3) . ?
Au4 Au5 2.7799(7) 2_766 ?
Au4 Au13 2.8396(8) . ?
Au4 Au10 2.9245(7) . ?
Au4 Au7 3.0176(7) . ?
Au4 Au12 3.0446(8) 2_766 ?
Au4 Au6 3.3148(7) . ?
Au5 S3 2.352(4) . ?
Au5 Au12 2.7424(8) . ?
Au5 Au4 2.7798(7) 2_766 ?
Au5 Au7 2.8940(8) . ?
Au5 Au3 3.0702(8) 2_766 ?
Au5 Au2 3.1521(8) 2_766 ?
Au5 Au13 3.2217(8) . ?
Au5 Au10 3.3479(8) 2_766 ?
Au5 Au11 3.3572(7) . ?
Au6 S4 2.299(4) . ?
Au6 S5 2.306(4) . ?
Au6 Au13 3.1052(8) . ?
Au6 Au7 3.2054(7) . ?
Au7 S6 2.388(3) . ?
Au7 Au13 2.7067(8) . ?
Au7 Au10 2.8449(7) . ?
Au7 Au12 2.9918(8) . ?
Au7 Au11 3.1423(8) . ?
Au7 Au9 3.1729(7) . ?
Au8 S2 2.300(4) . ?
Au8 S1 2.305(4) . ?
Au8 Au12 2.9178(8) . ?
Au8 Au10 3.0267(7) . ?
Au9 S1 2.295(4) . ?
Au9 S6 2.304(4) . ?
Au9 Au10 3.0483(8) . ?
Au9 Au12 3.2817(8) . ?
Au10 S8 2.334(3) . ?
Au10 Au12 2.7515(7) . ?
Au10 Au13 3.2244(8) 2_766 ?
Au10 Au5 3.3480(8) 2_766 ?
Au11 S3 2.295(4) . ?
Au11 S4 2.305(4) . ?
Au11 Au13 3.0423(8) . ?
Au12 S9 2.377(4) 2_766 ?
Au12 Au13 2.9774(8) 2_766 ?
Au12 Au4 3.0445(8) 2_766 ?
Au12 Au3 3.2507(7) 2_766 ?
Au13 S2 2.316(3) 2_766 ?
Au13 Au12 2.9774(8) 2_766 ?
Au13 Au10 3.2244(8) 2_766 ?
S1 C63 1.827(15) . ?
S3 C12 1.851(16) . ?
S2 C1 1.810(16) . ?
S2 Au13 2.316(3) 2_766 ?
S4 C4 1.830(18) . ?
S5 C3 1.834(17) . ?
S6 C19 1.801(15) . ?
S7 C39 1.804(14) . ?
S8 C2 1.823(15) . ?
S9 C31 1.818(14) . ?
S9 Au12 2.377(4) 2_766 ?
C1 C50 1.49(2) . ?
C2 C24 1.51(2) . ?
C3 C36 1.53(2) . ?
C4 C5 1.53(2) . ?
C5 C6 1.50(2) . ?
C6 C7 1.38(2) . ?
C6 C11 1.41(2) . ?
C7 C8 1.34(3) . ?
C8 C9 1.38(3) . ?
C9 C10 1.38(3) . ?
C10 C11 1.38(2) . ?
C12 C13 1.505(19) . ?
C13 C14 1.49(2) . ?
C14 C15 1.38(2) . ?
C14 C18 1.39(2) . ?
C15 C16 1.39(3) . ?
C16 C17 1.36(3) . ?
C17 C71 1.40(3) . ?
C18 C71 1.40(3) . ?
C19 C20 1.51(2) . ?
C20 C21 1.53(2) . ?
C21 C62 1.36(2) . ?
C21 C22 1.39(2) . ?
C22 C23 1.40(2) . ?
C23 C60 1.38(3) . ?
C24 C25 1.48(2) . ?
C25 C30 1.38(2) . ?
C25 C26 1.43(2) . ?
C26 C27 1.36(2) . ?
C27 C28 1.39(2) . ?
C28 C29 1.40(3) . ?
C29 C30 1.43(2) . ?
C31 C32 1.47(2) . ?
C32 C33 1.54(2) . ?
C33 C34 1.36(2) . ?
C33 C45 1.39(2) . ?
C35 C43 1.38(3) . ?
C35 C34 1.38(2) . ?
C37 C49 1.38(2) . ?
C37 C38 1.41(2) . ?
C37 C36 1.50(2) . ?
C38 C46 1.37(2) . ?
C39 C40 1.56(2) . ?
C41 C59 1.38(2) . ?
C41 C42 1.37(2) . ?
C41 C40 1.53(2) . ?
C42 C56 1.38(3) . ?
C45 C44 1.39(2) . ?
C43 C44 1.36(3) . ?
C46 C47 1.37(3) . ?
C47 C48 1.37(3) . ?
C49 C48 1.39(3) . ?
C51 C52 1.39(3) . ?
C51 C55 1.39(2) . ?
C51 C50 1.51(2) . ?
C55 C72 1.37(2) . ?
C52 C53 1.41(3) . ?
C54 C72 1.38(3) . ?
C54 C53 1.41(4) . ?
C59 C58 1.40(3) . ?
C58 C57 1.37(3) . ?
C56 C57 1.40(3) . ?
C62 C61 1.42(2) . ?
C61 C60 1.38(3) . ?
C65 C66 1.37(3) . ?
C65 C69 1.38(3) . ?
C65 C64 1.50(3) . ?
C63 C64 1.47(2) . ?
C69 C70 1.40(3) . ?
C67 C66 1.36(3) . ?
C67 C68 1.38(4) . ?
C68 C70 1.35(4) . ?
F5 P3 1.58(2) . ?
F6 P3 1.61(3) . ?
P3 F7 1.42(3) . ?
P3 F8 1.45(3) . ?
P3 F13 1.65(5) . ?
P3 F11 1.79(3) . ?

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
Au13 Au1 Au13 180.00(3) 2_766 . ?
Au13 Au1 Au10 71.037(17) 2_766 . ?
Au13 Au1 Au10 108.963(17) . . ?
Au13 Au1 Au10 108.963(17) 2_766 2_766 ?
Au13 Au1 Au10 71.037(17) . 2_766 ?
Au10 Au1 Au10 180.00(2) . 2_766 ?
Au13 Au1 Au5 109.198(18) 2_766 . ?
Au13 Au1 Au5 70.802(18) . . ?
Au10 Au1 Au5 106.923(17) . . ?
Au10 Au1 Au5 73.076(17) 2_766 . ?
Au13 Au1 Au5 70.802(18) 2_766 2_766 ?
Au13 Au1 Au5 109.199(18) . 2_766 ?
Au10 Au1 Au5 73.078(17) . 2_766 ?
Au10 Au1 Au5 106.923(17) 2_766 2_766 ?
Au5 Au1 Au5 180.0 . 2_766 ?
Au13 Au1 Au4 61.368(18) 2_766 2_766 ?
Au13 Au1 Au4 118.631(18) . 2_766 ?
Au10 Au1 Au4 117.358(15) . 2_766 ?
Au10 Au1 Au4 62.641(15) 2_766 2_766 ?
Au5 Au1 Au4 59.094(15) . 2_766 ?
Au5 Au1 Au4 120.905(15) 2_766 2_766 ?
Au13 Au1 Au4 118.632(18) 2_766 . ?
Au13 Au1 Au4 61.368(18) . . ?
Au10 Au1 Au4 62.642(15) . . ?
Au10 Au1 Au4 117.358(15) 2_766 . ?
Au5 Au1 Au4 120.906(15) . . ?
Au5 Au1 Au4 59.096(15) 2_766 . ?
Au4 Au1 Au4 180.00(2) 2_766 . ?
Au13 Au1 Au12 115.335(18) 2_766 2_766 ?
Au13 Au1 Au12 64.666(18) . 2_766 ?
Au10 Au1 Au12 121.472(15) . 2_766 ?
Au10 Au1 Au12 58.528(15) 2_766 2_766 ?
Au5 Au1 Au12 121.806(17) . 2_766 ?
Au5 Au1 Au12 58.194(17) 2_766 2_766 ?
Au4 Au1 Au12 114.684(16) 2_766 2_766 ?
Au4 Au1 Au12 65.316(16) . 2_766 ?
Au13 Au1 Au12 64.666(18) 2_766 . ?
Au13 Au1 Au12 115.333(18) . . ?
Au10 Au1 Au12 58.529(15) . . ?
Au10 Au1 Au12 121.470(15) 2_766 . ?
Au5 Au1 Au12 58.193(17) . . ?
Au5 Au1 Au12 121.808(17) 2_766 . ?
Au4 Au1 Au12 65.315(16) 2_766 . ?
Au4 Au1 Au12 114.685(16) . . ?
Au12 Au1 Au12 180.0 2_766 . ?
Au13 Au1 Au7 57.985(16) 2_766 2_766 ?
Au13 Au1 Au7 122.016(16) . 2_766 ?
Au10 Au1 Au7 119.474(16) . 2_766 ?
Au10 Au1 Au7 60.527(16) 2_766 2_766 ?
Au5 Au1 Au7 118.448(16) . 2_766 ?
Au5 Au1 Au7 61.550(16) 2_766 2_766 ?
Au4 Au1 Au7 64.458(15) 2_766 2_766 ?
Au4 Au1 Au7 115.542(15) . 2_766 ?
Au12 Au1 Au7 63.807(16) 2_766 2_766 ?
Au12 Au1 Au7 116.192(16) . 2_766 ?
Au13 Au1 Au7 122.015(16) 2_766 . ?
Au13 Au1 Au7 57.984(16) . . ?
Au10 Au1 Au7 60.527(16) . . ?
Au10 Au1 Au7 119.473(16) 2_766 . ?
Au5 Au1 Au7 61.552(16) . . ?
Au5 Au1 Au7 118.450(16) 2_766 . ?
Au4 Au1 Au7 115.542(15) 2_766 . ?
Au4 Au1 Au7 64.458(15) . . ?
Au12 Au1 Au7 116.192(16) 2_766 . ?
Au12 Au1 Au7 63.808(16) . . ?
Au7 Au1 Au7 180.00(2) 2_766 . ?
S7 Au2 S8 171.06(12) . . ?
S7 Au2 Au4 93.93(9) . . ?
S8 Au2 Au4 94.29(9) . . ?
S7 Au2 Au5 86.05(9) . 2_766 ?
S8 Au2 Au5 101.69(9) . 2_766 ?
Au4 Au2 Au5 53.387(16) . 2_766 ?
S7 Au2 Au10 144.23(9) . . ?
S8 Au2 Au10 44.70(9) . . ?
Au4 Au2 Au10 54.631(16) . . ?
Au5 Au2 Au10 62.268(17) 2_766 . ?
S7 Au3 S9 174.45(13) . . ?
S7 Au3 Au4 93.83(9) . . ?
S9 Au3 Au4 90.09(9) . . ?
S7 Au3 Au5 88.14(9) . 2_766 ?
S9 Au3 Au5 97.34(9) . 2_766 ?
Au4 Au3 Au5 54.107(17) . 2_766 ?
S7 Au3 Au12 138.58(9) . 2_766 ?
S9 Au3 Au12 46.96(9) . 2_766 ?
Au4 Au3 Au12 57.760(17) . 2_766 ?
Au5 Au3 Au12 51.326(17) 2_766 2_766 ?
S5 Au4 Au5 146.18(9) . 2_766 ?
S5 Au4 Au1 153.37(9) . . ?
Au5 Au4 Au1 60.407(15) 2_766 . ?
S5 Au4 Au13 99.91(9) . . ?
Au5 Au4 Au13 107.53(2) 2_766 . ?
Au1 Au4 Au13 57.988(15) . . ?
S5 Au4 Au10 120.91(9) . . ?
Au5 Au4 Au10 71.83(2) 2_766 . ?
Au1 Au4 Au10 58.452(14) . . ?
Au13 Au4 Au10 103.18(2) . . ?
S5 Au4 Au7 97.94(9) . . ?
Au5 Au4 Au7 113.83(2) 2_766 . ?
Au1 Au4 Au7 58.073(13) . . ?
Au13 Au4 Au7 54.945(18) . . ?
Au10 Au4 Au7 57.185(17) . . ?
S5 Au4 Au2 89.43(9) . . ?
Au5 Au4 Au2 65.526(19) 2_766 . ?
Au1 Au4 Au2 111.743(19) . . ?
Au13 Au4 Au2 169.56(2) . . ?
Au10 Au4 Au2 67.667(18) . . ?
Au7 Au4 Au2 119.44(2) . . ?
S5 Au4 Au3 87.36(9) . . ?
Au5 Au4 Au3 63.477(19) 2_766 . ?
Au1 Au4 Au3 114.450(19) . . ?
Au13 Au4 Au3 114.86(2) . . ?
Au10 Au4 Au3 127.64(2) . . ?
Au7 Au4 Au3 169.09(2) . . ?
Au2 Au4 Au3 69.904(18) . . ?
S5 Au4 Au12 128.05(9) . 2_766 ?
Au5 Au4 Au12 55.956(19) 2_766 2_766 ?
Au1 Au4 Au12 57.381(14) . 2_766 ?
Au13 Au4 Au12 60.677(19) . 2_766 ?
Au10 Au4 Au12 110.67(2) . 2_766 ?
Au7 Au4 Au12 104.88(2) . 2_766 ?
Au2 Au4 Au12 116.76(2) . 2_766 ?
Au3 Au4 Au12 64.574(17) . 2_766 ?
S5 Au4 Au6 44.08(9) . . ?
Au5 Au4 Au6 167.53(2) 2_766 . ?
Au1 Au4 Au6 109.422(18) . . ?
Au13 Au4 Au6 60.015(18) . . ?
Au10 Au4 Au6 110.02(2) . . ?
Au7 Au4 Au6 60.605(17) . . ?
Au2 Au4 Au6 126.86(2) . . ?
Au3 Au4 Au6 119.61(2) . . ?
Au12 Au4 Au6 113.21(2) 2_766 . ?
S3 Au5 Au12 148.93(9) . . ?
S3 Au5 Au4 139.79(9) . 2_766 ?
Au12 Au5 Au4 66.91(2) . 2_766 ?
S3 Au5 Au1 138.54(9) . . ?
Au12 Au5 Au1 60.997(16) . . ?
Au4 Au5 Au1 60.499(15) 2_766 . ?
S3 Au5 Au7 102.35(9) . . ?
Au12 Au5 Au7 64.05(2) . . ?
Au4 Au5 Au7 115.03(2) 2_766 . ?
Au1 Au5 Au7 59.587(14) . . ?
S3 Au5 Au3 106.92(9) . 2_766 ?
Au12 Au5 Au3 67.74(2) . 2_766 ?
Au4 Au5 Au3 62.416(18) 2_766 2_766 ?
Au1 Au5 Au3 113.64(2) . 2_766 ?
Au7 Au5 Au3 126.35(3) . 2_766 ?
S3 Au5 Au2 78.82(9) . 2_766 ?
Au12 Au5 Au2 122.61(2) . 2_766 ?
Au4 Au5 Au2 61.090(18) 2_766 2_766 ?
Au1 Au5 Au2 108.39(2) . 2_766 ?
Au7 Au5 Au2 163.18(3) . 2_766 ?
Au3 Au5 Au2 67.980(18) 2_766 2_766 ?
S3 Au5 Au13 85.47(9) . . ?
Au12 Au5 Au13 103.80(2) . . ?
Au4 Au5 Au13 105.49(2) 2_766 . ?
Au1 Au5 Au13 53.526(14) . . ?
Au7 Au5 Au13 52.203(17) . . ?
Au3 Au5 Au13 166.94(2) 2_766 . ?
Au2 Au5 Au13 111.67(2) 2_766 . ?
S3 Au5 Au10 103.11(9) . 2_766 ?
Au12 Au5 Au10 107.04(2) . 2_766 ?
Au4 Au5 Au10 56.094(18) 2_766 2_766 ?
Au1 Au5 Au10 53.311(13) . 2_766 ?
Au7 Au5 Au10 102.48(2) . 2_766 ?
Au3 Au5 Au10 113.00(2) 2_766 2_766 ?
Au2 Au5 Au10 61.290(17) 2_766 2_766 ?
Au13 Au5 Au10 58.750(17) . 2_766 ?
S3 Au5 Au11 43.08(9) . . ?
Au12 Au5 Au11 119.80(2) . . ?
Au4 Au5 Au11 159.71(3) 2_766 . ?
Au1 Au5 Au11 104.442(18) . . ?
Au7 Au5 Au11 59.807(17) . . ?
Au3 Au5 Au11 137.49(2) 2_766 . ?
Au2 Au5 Au11 117.42(2) 2_766 . ?
Au13 Au5 Au11 55.041(16) . . ?
Au10 Au5 Au11 104.46(2) 2_766 . ?
S4 Au6 S5 174.32(13) . . ?
S4 Au6 Au13 91.04(9) . . ?
S5 Au6 Au13 94.64(9) . . ?
S4 Au6 Au7 88.76(9) . . ?
S5 Au6 Au7 94.76(9) . . ?
Au13 Au6 Au7 50.766(16) . . ?
S4 Au6 Au4 139.01(9) . . ?
S5 Au6 Au4 46.17(8) . . ?
Au13 Au6 Au4 52.377(16) . . ?
Au7 Au6 Au4 55.107(15) . . ?
S6 Au7 Au13 138.83(9) . . ?
S6 Au7 Au1 150.92(9) . . ?
Au13 Au7 Au1 59.243(16) . . ?
S6 Au7 Au10 91.85(9) . . ?
Au13 Au7 Au10 108.88(2) . . ?
Au1 Au7 Au10 59.174(15) . . ?
S6 Au7 Au5 139.90(9) . . ?
Au13 Au7 Au5 70.14(2) . . ?
Au1 Au7 Au5 58.861(15) . . ?
Au10 Au7 Au5 103.86(2) . . ?
S6 Au7 Au12 109.97(9) . . ?
Au13 Au7 Au12 111.13(2) . . ?
Au1 Au7 Au12 57.832(14) . . ?
Au10 Au7 Au12 56.184(17) . . ?
Au5 Au7 Au12 55.511(18) . . ?
S6 Au7 Au4 107.73(9) . . ?
Au13 Au7 Au4 59.18(2) . . ?
Au1 Au7 Au4 57.470(13) . . ?
Au10 Au7 Au4 59.762(18) . . ?
Au5 Au7 Au4 112.08(2) . . ?
Au12 Au7 Au4 104.45(2) . . ?
S6 Au7 Au11 99.34(9) . . ?
Au13 Au7 Au11 62.157(19) . . ?
Au1 Au7 Au11 109.635(19) . . ?
Au10 Au7 Au11 168.80(2) . . ?
Au5 Au7 Au11 67.439(18) . . ?
Au12 Au7 Au11 119.01(2) . . ?
Au4 Au7 Au11 115.85(2) . . ?
S6 Au7 Au9 46.34(9) . . ?
Au13 Au7 Au9 169.45(2) . . ?
Au1 Au7 Au9 112.000(19) . . ?
Au10 Au7 Au9 60.578(17) . . ?
Au5 Au7 Au9 111.40(2) . . ?
Au12 Au7 Au9 64.248(18) . . ?
Au4 Au7 Au9 111.79(2) . . ?
Au11 Au7 Au9 128.34(2) . . ?
S6 Au7 Au6 76.37(9) . . ?
Au13 Au7 Au6 62.70(2) . . ?
Au1 Au7 Au6 112.022(19) . . ?
Au10 Au7 Au6 115.35(2) . . ?
Au5 Au7 Au6 125.69(2) . . ?
Au12 Au7 Au6 168.65(2) . . ?
Au4 Au7 Au6 64.289(17) . . ?
Au11 Au7 Au6 67.721(17) . . ?
Au9 Au7 Au6 119.98(2) . . ?
S2 Au8 S1 172.33(13) . . ?
S2 Au8 Au12 95.68(9) . . ?
S1 Au8 Au12 90.72(9) . . ?
S2 Au8 Au10 94.54(9) . . ?
S1 Au8 Au10 92.59(9) . . ?
Au12 Au8 Au10 55.107(17) . . ?
S1 Au9 S6 173.51(13) . . ?
S1 Au9 Au10 92.23(9) . . ?
S6 Au9 Au10 88.51(9) . . ?
S1 Au9 Au7 136.05(9) . . ?
S6 Au9 Au7 48.58(9) . . ?
Au10 Au9 Au7 54.381(16) . . ?
S1 Au9 Au12 82.21(9) . . ?
S6 Au9 Au12 103.21(9) . . ?
Au10 Au9 Au12 51.367(16) . . ?
Au7 Au9 Au12 55.197(16) . . ?
S8 Au10 Au12 149.32(9) . . ?
S8 Au10 Au1 147.89(9) . . ?
Au12 Au10 Au1 61.028(15) . . ?
S8 Au10 Au7 130.12(9) . . ?
Au12 Au10 Au7 64.61(2) . . ?
Au1 Au10 Au7 60.300(15) . . ?
S8 Au10 Au4 96.48(9) . . ?
Au12 Au10 Au4 113.59(2) . . ?
Au1 Au10 Au4 58.906(14) . . ?
Au7 Au10 Au4 63.054(18) . . ?
S8 Au10 Au8 91.16(9) . . ?
Au12 Au10 Au8 60.435(18) . . ?
Au1 Au10 Au8 110.214(19) . . ?
Au7 Au10 Au8 118.47(2) . . ?
Au4 Au10 Au8 167.59(2) . . ?
S8 Au10 Au9 92.34(9) . . ?
Au12 Au10 Au9 68.70(2) . . ?
Au1 Au10 Au9 116.77(2) . . ?
Au7 Au10 Au9 65.041(19) . . ?
Au4 Au10 Au9 118.24(2) . . ?
Au8 Au10 Au9 71.001(19) . . ?
S8 Au10 Au13 122.16(9) . 2_766 ?
Au12 Au10 Au13 59.14(2) . 2_766 ?
Au1 Au10 Au13 53.571(14) . 2_766 ?
Au7 Au10 Au13 106.95(2) . 2_766 ?
Au4 Au10 Au13 102.06(2) . 2_766 ?
Au8 Au10 Au13 65.552(18) . 2_766 ?
Au9 Au10 Au13 123.42(2) . 2_766 ?
S8 Au10 Au2 43.96(9) . . ?
Au12 Au10 Au2 163.82(3) . . ?
Au1 Au10 Au2 104.287(19) . . ?
Au7 Au10 Au2 115.72(2) . . ?
Au4 Au10 Au2 57.702(16) . . ?
Au8 Au10 Au2 124.87(2) . . ?
Au9 Au10 Au2 126.97(2) . . ?
Au13 Au10 Au2 107.44(2) 2_766 . ?
S8 Au10 Au5 95.61(9) . 2_766 ?
Au12 Au10 Au5 107.38(2) . 2_766 ?
Au1 Au10 Au5 53.613(14) . 2_766 ?
Au7 Au10 Au5 103.08(2) . 2_766 ?
Au4 Au10 Au5 52.081(16) . 2_766 ?
Au8 Au10 Au5 117.54(2) . 2_766 ?
Au9 Au10 Au5 168.11(2) . 2_766 ?
Au13 Au10 Au5 58.669(17) 2_766 2_766 ?
Au2 Au10 Au5 56.442(16) . 2_766 ?
S3 Au11 S4 173.00(13) . . ?
S3 Au11 Au13 90.78(9) . . ?
S4 Au11 Au13 92.52(9) . . ?
S3 Au11 Au7 96.68(9) . . ?
S4 Au11 Au7 90.21(9) . . ?
Au13 Au11 Au7 51.878(17) . . ?
S3 Au11 Au5 44.42(9) . . ?
S4 Au11 Au5 142.18(9) . . ?
Au13 Au11 Au5 60.215(17) . . ?
Au7 Au11 Au5 52.754(16) . . ?
S9 Au12 Au5 104.69(9) 2_766 . ?
S9 Au12 Au10 144.62(9) 2_766 . ?
Au5 Au12 Au10 110.65(2) . . ?
S9 Au12 Au1 145.65(9) 2_766 . ?
Au5 Au12 Au1 60.811(16) . . ?
Au10 Au12 Au1 60.443(15) . . ?
S9 Au12 Au8 80.39(9) 2_766 . ?
Au5 Au12 Au8 173.77(3) . . ?
Au10 Au12 Au8 64.458(19) . . ?
Au1 Au12 Au8 112.97(2) . . ?
S9 Au12 Au13 104.45(9) 2_766 2_766 ?
Au5 Au12 Au13 104.75(2) . 2_766 ?
Au10 Au12 Au13 68.37(2) . 2_766 ?
Au1 Au12 Au13 56.381(15) . 2_766 ?
Au8 Au12 Au13 70.15(2) . 2_766 ?
S9 Au12 Au7 145.14(9) 2_766 . ?
Au5 Au12 Au7 60.436(19) . . ?
Au10 Au12 Au7 59.210(19) . . ?
Au1 Au12 Au7 58.360(15) . . ?
Au8 Au12 Au7 117.27(2) . . ?
Au13 Au12 Au7 109.76(2) 2_766 . ?
S9 Au12 Au4 88.44(9) 2_766 2_766 ?
Au5 Au12 Au4 57.131(18) . 2_766 ?
Au10 Au12 Au4 111.93(2) . 2_766 ?
Au1 Au12 Au4 57.302(14) . 2_766 ?
Au8 Au12 Au4 120.16(2) . 2_766 ?
Au13 Au12 Au4 56.255(19) 2_766 2_766 ?
Au7 Au12 Au4 104.92(2) . 2_766 ?
S9 Au12 Au3 44.80(9) 2_766 2_766 ?
Au5 Au12 Au3 60.935(18) . 2_766 ?
Au10 Au12 Au3 168.73(2) . 2_766 ?
Au1 Au12 Au3 108.319(19) . 2_766 ?
Au8 Au12 Au3 123.30(2) . 2_766 ?
Au13 Au12 Au3 105.40(2) 2_766 2_766 ?
Au7 Au12 Au3 116.95(2) . 2_766 ?
Au4 Au12 Au3 57.667(17) 2_766 2_766 ?
S9 Au12 Au9 104.98(9) 2_766 . ?
Au5 Au12 Au9 112.38(2) . . ?
Au10 Au12 Au9 59.934(18) . . ?
Au1 Au12 Au9 109.35(2) . . ?
Au8 Au12 Au9 69.084(18) . . ?
Au13 Au12 Au9 123.84(2) 2_766 . ?
Au7 Au12 Au9 60.555(17) . . ?
Au4 Au12 Au9 165.29(2) 2_766 . ?
Au3 Au12 Au9 129.00(2) 2_766 . ?
S2 Au13 Au7 150.75(9) 2_766 . ?
S2 Au13 Au1 143.43(9) 2_766 . ?
Au7 Au13 Au1 62.773(16) . . ?
S2 Au13 Au4 131.60(9) 2_766 . ?
Au7 Au13 Au4 65.87(2) . . ?
Au1 Au13 Au4 60.644(15) . . ?
S2 Au13 Au12 93.75(9) 2_766 2_766 ?
Au7 Au13 Au12 115.36(2) . 2_766 ?
Au1 Au13 Au12 58.952(15) . 2_766 ?
Au4 Au13 Au12 63.068(19) . 2_766 ?
S2 Au13 Au11 86.22(9) 2_766 . ?
Au7 Au13 Au11 65.965(19) . . ?
Au1 Au13 Au11 115.34(2) . . ?
Au4 Au13 Au11 125.08(2) . . ?
Au12 Au13 Au11 167.96(3) 2_766 . ?
S2 Au13 Au6 96.56(9) 2_766 . ?
Au7 Au13 Au6 66.53(2) . . ?
Au1 Au13 Au6 117.96(2) . . ?
Au4 Au13 Au6 67.61(2) . . ?
Au12 Au13 Au6 121.65(3) 2_766 . ?
Au11 Au13 Au6 70.243(19) . . ?
S2 Au13 Au5 119.49(9) 2_766 . ?
Au7 Au13 Au5 57.657(19) . . ?
Au1 Au13 Au5 55.672(15) . . ?
Au4 Au13 Au5 107.84(2) . . ?
Au12 Au13 Au5 105.23(2) 2_766 . ?
Au11 Au13 Au5 64.744(18) . . ?
Au6 Au13 Au5 118.19(2) . . ?
S2 Au13 Au10 89.19(9) 2_766 2_766 ?
Au7 Au13 Au10 110.27(2) . 2_766 ?
Au1 Au13 Au10 55.393(14) . 2_766 ?
Au4 Au13 Au10 104.67(2) . 2_766 ?
Au12 Au13 Au10 52.490(17) 2_766 2_766 ?
Au11 Au13 Au10 115.48(2) . 2_766 ?
Au6 Au13 Au10 172.25(3) . 2_766 ?
Au5 Au13 Au10 62.580(18) . 2_766 ?
C63 S1 Au9 103.7(6) . . ?
C63 S1 Au8 103.8(6) . . ?
Au9 S1 Au8 100.17(14) . . ?
C12 S3 Au11 107.2(5) . . ?
C12 S3 Au5 106.7(4) . . ?
Au11 S3 Au5 92.50(13) . . ?
C1 S2 Au8 100.7(5) . . ?
C1 S2 Au13 101.3(5) . 2_766 ?
Au8 S2 Au13 94.46(13) . 2_766 ?
C4 S4 Au6 107.2(5) . . ?
C4 S4 Au11 104.8(6) . . ?
Au6 S4 Au11 100.39(14) . . ?
C3 S5 Au6 102.6(5) . . ?
C3 S5 Au4 101.8(5) . . ?
Au6 S5 Au4 89.74(12) . . ?
C19 S6 Au9 110.3(5) . . ?
C19 S6 Au7 111.4(5) . . ?
Au9 S6 Au7 85.07(12) . . ?
C39 S7 Au3 104.5(5) . . ?
C39 S7 Au2 102.8(5) . . ?
Au3 S7 Au2 98.59(13) . . ?
C2 S8 Au2 101.8(5) . . ?
C2 S8 Au10 108.7(5) . . ?
Au2 S8 Au10 91.35(13) . . ?
C31 S9 Au3 105.6(5) . . ?
C31 S9 Au12 110.9(5) . 2_766 ?
Au3 S9 Au12 88.23(13) . 2_766 ?
C50 C1 S2 111.9(13) . . ?
C24 C2 S8 111.3(10) . . ?
C36 C3 S5 113.5(12) . . ?
C5 C4 S4 110.5(12) . . ?
C6 C5 C4 114.4(14) . . ?
C7 C6 C11 117.3(15) . . ?
C7 C6 C5 122.4(16) . . ?
C11 C6 C5 120.3(16) . . ?
C8 C7 C6 122.2(17) . . ?
C7 C8 C9 120.6(18) . . ?
C10 C9 C8 119.6(16) . . ?
C11 C10 C9 119.3(17) . . ?
C10 C11 C6 121.0(17) . . ?
C13 C12 S3 111.7(11) . . ?
C14 C13 C12 114.0(13) . . ?
C15 C14 C18 119.0(15) . . ?
C15 C14 C13 120.8(15) . . ?
C18 C14 C13 120.2(13) . . ?
C14 C15 C16 120.1(17) . . ?
C17 C16 C15 120.9(16) . . ?
C16 C17 C71 119.8(17) . . ?
C14 C18 C71 120.7(17) . . ?
C20 C19 S6 116.6(11) . . ?
C19 C20 C21 112.8(12) . . ?
C62 C21 C22 120.6(16) . . ?
C62 C21 C20 119.8(15) . . ?
C22 C21 C20 119.6(15) . . ?
C21 C22 C23 119.8(16) . . ?
C60 C23 C22 120.9(18) . . ?
C25 C24 C2 114.2(13) . . ?
C30 C25 C26 117.6(14) . . ?
C30 C25 C24 121.0(14) . . ?
C26 C25 C24 121.4(13) . . ?
C27 C26 C25 121.5(15) . . ?
C26 C27 C28 120.5(17) . . ?
C27 C28 C29 120.4(16) . . ?
C28 C29 C30 118.6(16) . . ?
C25 C30 C29 121.3(15) . . ?
C32 C31 S9 115.5(10) . . ?
C31 C32 C33 113.6(12) . . ?
C34 C33 C45 118.2(14) . . ?
C34 C33 C32 123.7(14) . . ?
C45 C33 C32 117.9(13) . . ?
C43 C35 C34 119.0(15) . . ?
C33 C34 C35 122.6(15) . . ?
C49 C37 C38 116.8(15) . . ?
C49 C37 C36 122.6(16) . . ?
C38 C37 C36 120.6(15) . . ?
C46 C38 C37 122.0(16) . . ?
C37 C36 C3 113.0(13) . . ?
C40 C39 S7 112.3(10) . . ?
C59 C41 C42 120.8(17) . . ?
C59 C41 C40 117.6(17) . . ?
C42 C41 C40 121.5(15) . . ?
C41 C40 C39 114.0(13) . . ?
C56 C42 C41 120.2(18) . . ?
C44 C45 C33 119.7(14) . . ?
C35 C43 C44 119.1(16) . . ?
C45 C44 C43 121.3(16) . . ?
C38 C46 C47 119.3(18) . . ?
C46 C47 C48 120.7(18) . . ?
C37 C49 C48 121.7(17) . . ?
C49 C48 C47 119.4(18) . . ?
C52 C51 C55 119.7(17) . . ?
C52 C51 C50 120.7(18) . . ?
C55 C51 C50 119.6(16) . . ?
C72 C55 C51 120.0(18) . . ?
C51 C50 C1 114.0(13) . . ?
C51 C52 C53 121(2) . . ?
C72 C54 C53 121(2) . . ?
C54 C53 C52 117(2) . . ?
C41 C59 C58 119(2) . . ?
C57 C58 C59 121.2(19) . . ?
C42 C56 C57 120(2) . . ?
C58 C57 C56 118.9(18) . . ?
C21 C62 C61 119.2(18) . . ?
C60 C61 C62 121.1(18) . . ?
C23 C60 C61 118.5(17) . . ?
C66 C65 C69 119(2) . . ?
C66 C65 C64 121.1(18) . . ?
C69 C65 C64 119.8(18) . . ?
C64 C63 S1 113.1(12) . . ?
C63 C64 C65 115.3(14) . . ?
C65 C69 C70 121(2) . . ?
C66 C67 C68 121(2) . . ?
C65 C66 C67 120(2) . . ?
C67 C68 C70 121(2) . . ?
C68 C70 C69 118(3) . . ?
C18 C71 C17 119(2) . . ?
C55 C72 C54 121(2) . . ?
F7 P3 F8 90.1(19) . . ?
F7 P3 F5 172(2) . . ?
F8 P3 F5 94(2) . . ?
F7 P3 F6 84.9(17) . . ?
F8 P3 F6 171(3) . . ?
F5 P3 F6 89.8(16) . . ?
F7 P3 F13 81(2) . . ?
F8 P3 F13 92(3) . . ?
F5 P3 F13 92(2) . . ?
F6 P3 F13 80(2) . . ?
F7 P3 F11 109.0(18) . . ?
F8 P3 F11 94(3) . . ?
F5 P3 F11 77.5(16) . . ?
F6 P3 F11 94.9(17) . . ?
F13 P3 F11 169(2) . . ?

_refine_diff_density_max         12.648
_refine_diff_density_min         -8.518
_refine_diff_density_rms         0.843


_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: EtOH/Toluene'
_chemical_compound_source        N/A
