# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_3
_database_code_depnum_ccdc_archive 'CCDC 936708'
_audit_update_record             
;
2015-03-26 deposited with the CCDC.
2015-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C50 H58 Au4 Cl2 F6 N3 O0 P2 S6 Sb'
_chemical_formula_weight         2049.81

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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 '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'
Cl Cl 0.1484 0.1585 '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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P2(1)/n

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   18.670(4)
_cell_length_b                   16.820(3)
_cell_length_c                   22.720(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 110.933(3)
_cell_angle_gamma                90.00
_cell_volume                     6664(2)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    14531
_cell_measurement_theta_min      2.1336
_cell_measurement_theta_max      27.5798

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.043
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3840
_exptl_absorpt_coefficient_mu    9.542
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.0922
_exptl_absorpt_correction_T_max  0.197
_exptl_absorpt_process_details   
;
RIGAKU/MSC(2004), CrystalClear Version 1.3.6,  
  Rigaku/MSC, 9009 New Trails Drive, The Woodlands, TX77381-5209, USA
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            46884
_diffrn_reflns_av_R_equivalents  0.0832
_diffrn_reflns_av_unetI/netI     0.0628
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         2.13
_diffrn_reflns_theta_max         25.00
_reflns_number_total             11577
_reflns_number_gt                9087
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
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 0.000 0.000 0.500 106 30 ' '
2 0.255 -0.077 0.836 153 47 ' '
3 0.745 0.077 0.164 153 48 ' '
4 0.245 0.423 0.664 153 47 ' '
5 0.500 0.500 1.000 106 30 ' '
6 0.755 0.577 0.336 153 48 ' '
_platon_squeeze_details          
; 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1160P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         11577
_refine_ls_number_parameters     701
_refine_ls_number_restraints     212
_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0624
_refine_ls_wR_factor_ref         0.1842
_refine_ls_wR_factor_gt          0.1712
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.22626(2) 0.05561(2) 0.278422(19) 0.04822(15) Uani 1 1 d . . .
Au2 Au 0.23196(2) -0.12034(2) 0.29152(2) 0.05536(16) Uani 1 1 d . . .
Au4 Au 0.38638(2) -0.30277(2) 0.49755(2) 0.05636(16) Uani 1 1 d . . .
Au3 Au 0.28279(3) -0.26516(3) 0.36727(2) 0.06263(17) Uani 1 1 d . . .
S1 S 0.23615(18) 0.02728(16) 0.18211(14) 0.0592(7) Uani 1 1 d . . .
S2 S 0.33524(17) -0.10845(17) 0.26036(15) 0.0613(7) Uani 1 1 d . . .
S3 S 0.1164(2) -0.1249(2) 0.3037(2) 0.0882(12) Uani 1 1 d . . .
S4 S 0.1750(2) -0.2665(2) 0.3912(2) 0.0851(10) Uani 1 1 d . . .
S5 S 0.3923(2) -0.2801(2) 0.34479(19) 0.0776(9) Uani 1 1 d . . .
S6 S 0.43007(17) -0.40452(15) 0.45056(15) 0.0627(7) Uani 1 1 d . . .
P2 P 0.35603(15) -0.20719(15) 0.55525(14) 0.0516(6) Uani 1 1 d . . .
P1 P 0.22801(15) 0.09541(15) 0.37424(13) 0.0482(6) Uani 1 1 d . . .
N1 N 0.3385(6) -0.0553(5) 0.1526(5) 0.062(2) Uani 1 1 d . . .
N2 N 0.0347(7) -0.2091(7) 0.3518(6) 0.088(3) Uani 1 1 d DU . .
N3 N 0.4944(6) -0.3940(6) 0.3661(5) 0.073(3) Uani 1 1 d . . .
C1 C 0.1369(6) 0.1209(7) 0.3809(6) 0.060(3) Uani 1 1 d . . .
C2 C 0.1309(9) 0.1791(8) 0.4190(7) 0.079(4) Uani 1 1 d . . .
H2A H 0.1749 0.2068 0.4426 0.095 Uiso 1 1 calc R . .
C3 C 0.0620(13) 0.1998(11) 0.4250(11) 0.116(6) Uani 1 1 d . . .
H3A H 0.0602 0.2404 0.4522 0.139 Uiso 1 1 calc R . .
C4 C -0.0048(14) 0.1590(15) 0.3896(12) 0.137(9) Uani 1 1 d . . .
H4A H -0.0515 0.1713 0.3935 0.164 Uiso 1 1 calc R . .
C5 C -0.0004(8) 0.1021(13) 0.3502(9) 0.106(5) Uani 1 1 d . . .
H5A H -0.0452 0.0764 0.3256 0.127 Uiso 1 1 calc R . .
C6 C 0.0704(7) 0.0789(11) 0.3441(8) 0.095(5) Uani 1 1 d . . .
H6A H 0.0725 0.0381 0.3172 0.114 Uiso 1 1 calc R . .
C7 C 0.2885(6) 0.1837(6) 0.4033(6) 0.055(3) Uani 1 1 d . . .
C8 C 0.2881(6) 0.2394(6) 0.3598(5) 0.053(2) Uani 1 1 d . . .
H8A H 0.2591 0.2324 0.3173 0.063 Uiso 1 1 calc R . .
C9 C 0.3332(7) 0.3085(7) 0.3812(6) 0.070(3) Uani 1 1 d . . .
H9A H 0.3322 0.3487 0.3528 0.084 Uiso 1 1 calc R . .
C10 C 0.3772(7) 0.3162(7) 0.4420(7) 0.077(4) Uani 1 1 d . . .
H10A H 0.4067 0.3616 0.4559 0.092 Uiso 1 1 calc R . .
C11 C 0.3786(7) 0.2573(8) 0.4833(7) 0.075(4) Uani 1 1 d . . .
H11A H 0.4118 0.2618 0.5249 0.090 Uiso 1 1 calc R . .
C12 C 0.3332(7) 0.1924(7) 0.4659(6) 0.069(3) Uani 1 1 d . . .
H12A H 0.3322 0.1546 0.4954 0.083 Uiso 1 1 calc R . .
C13 C 0.2698(5) 0.0159(6) 0.4322(5) 0.046(2) Uani 1 1 d . . .
C14 C 0.2273(6) -0.0177(6) 0.4618(5) 0.053(2) Uani 1 1 d . . .
H14A H 0.1793 0.0034 0.4565 0.064 Uiso 1 1 calc R . .
C15 C 0.2537(6) -0.0851(6) 0.5012(5) 0.056(3) Uani 1 1 d . . .
H15A H 0.2237 -0.1069 0.5222 0.067 Uiso 1 1 calc R . .
C16 C 0.3241(6) -0.1182(5) 0.5084(5) 0.048(2) Uani 1 1 d . . .
C17 C 0.3697(6) -0.0843(6) 0.4771(5) 0.048(2) Uani 1 1 d . . .
C18 C 0.4415(5) -0.1152(6) 0.4808(6) 0.054(3) Uani 1 1 d . . .
H18A H 0.4618 -0.1576 0.5078 0.064 Uiso 1 1 calc R . .
C19 C 0.4819(6) -0.0862(6) 0.4470(6) 0.060(3) Uani 1 1 d . . .
H19A H 0.5276 -0.1103 0.4492 0.072 Uiso 1 1 calc R . .
C20 C 0.4550(6) -0.0199(7) 0.4087(5) 0.054(3) Uani 1 1 d . . .
H20A H 0.4826 0.0004 0.3851 0.065 Uiso 1 1 calc R . .
C21 C 0.3870(6) 0.0155(6) 0.4059(5) 0.051(2) Uani 1 1 d . . .
H21A H 0.3707 0.0619 0.3827 0.061 Uiso 1 1 calc R . .
C22 C 0.3432(5) -0.0173(5) 0.4372(5) 0.046(2) Uani 1 1 d . . .
C23 C 0.2820(6) -0.2395(7) 0.5859(6) 0.068(3) Uani 1 1 d DU . .
C24 C 0.2475(9) -0.3135(10) 0.5602(8) 0.115(5) Uani 1 1 d DU . .
H24A H 0.2603 -0.3396 0.5292 0.138 Uiso 1 1 calc R . .
C25 C 0.1935(11) -0.3449(13) 0.5836(9) 0.143(7) Uani 1 1 d DU . .
H25A H 0.1682 -0.3921 0.5674 0.172 Uiso 1 1 calc R . .
C26 C 0.1772(11) -0.3021(14) 0.6345(10) 0.130(6) Uani 1 1 d DU . .
H26A H 0.1428 -0.3231 0.6516 0.156 Uiso 1 1 calc R . .
C27 C 0.2102(10) -0.2377(13) 0.6540(10) 0.113(5) Uani 1 1 d DU . .
H27A H 0.1978 -0.2113 0.6851 0.136 Uiso 1 1 calc R . .
C28 C 0.2666(9) -0.2005(10) 0.6321(9) 0.099(4) Uani 1 1 d DU . .
H28A H 0.2905 -0.1529 0.6489 0.119 Uiso 1 1 calc R . .
C29 C 0.4355(6) -0.1735(7) 0.6235(5) 0.057(3) Uani 1 1 d . . .
C30 C 0.5030(7) -0.2156(8) 0.6444(6) 0.067(3) Uani 1 1 d . . .
H30A H 0.5085 -0.2600 0.6220 0.080 Uiso 1 1 calc R . .
C31 C 0.5644(9) -0.1926(10) 0.6997(7) 0.086(4) Uani 1 1 d . . .
H31A H 0.6102 -0.2210 0.7139 0.104 Uiso 1 1 calc R . .
C32 C 0.5538(9) -0.1251(10) 0.7326(7) 0.089(4) Uani 1 1 d . . .
H32A H 0.5926 -0.1084 0.7693 0.107 Uiso 1 1 calc R . .
C33 C 0.4850(9) -0.0837(9) 0.7099(7) 0.088(4) Uani 1 1 d . . .
H33A H 0.4771 -0.0400 0.7320 0.106 Uiso 1 1 calc R . .
C34 C 0.4295(8) -0.1065(7) 0.6560(6) 0.071(3) Uani 1 1 d . . .
H34A H 0.3853 -0.0757 0.6402 0.085 Uiso 1 1 calc R . .
C35 C 0.4408(6) -0.3601(6) 0.3869(5) 0.057(3) Uani 1 1 d . . .
C36 C 0.5426(8) -0.4591(9) 0.3990(7) 0.086(4) Uani 1 1 d . . .
H36A H 0.5496 -0.4559 0.4433 0.103 Uiso 1 1 calc R . .
H36B H 0.5925 -0.4537 0.3954 0.103 Uiso 1 1 calc R . .
C37 C 0.5092(13) -0.5407(9) 0.3736(9) 0.118(7) Uani 1 1 d . . .
H37A H 0.5437 -0.5816 0.3966 0.177 Uiso 1 1 calc R . .
H37B H 0.5022 -0.5443 0.3297 0.177 Uiso 1 1 calc R . .
H37C H 0.4606 -0.5473 0.3786 0.177 Uiso 1 1 calc R . .
C38 C 0.5048(12) -0.3648(11) 0.3062(8) 0.110(6) Uani 1 1 d . . .
H38A H 0.4560 -0.3474 0.2760 0.132 Uiso 1 1 calc R . .
H38B H 0.5239 -0.4077 0.2873 0.132 Uiso 1 1 calc R . .
C39 C 0.5621(15) -0.2954(13) 0.3228(13) 0.154(10) Uani 1 1 d . . .
H39A H 0.5686 -0.2763 0.2852 0.231 Uiso 1 1 calc R . .
H39B H 0.6106 -0.3132 0.3521 0.231 Uiso 1 1 calc R . .
H39C H 0.5429 -0.2532 0.3415 0.231 Uiso 1 1 calc R . .
C40 C 0.1039(7) -0.2011(7) 0.3496(6) 0.065(3) Uani 1 1 d . . .
C41 C 0.0145(13) -0.2799(14) 0.3856(9) 0.142(7) Uani 1 1 d DU . .
H41A H -0.0373 -0.2981 0.3624 0.170 Uiso 1 1 calc R . .
H41B H 0.0496 -0.3236 0.3890 0.170 Uiso 1 1 calc R . .
C42 C 0.021(2) -0.251(2) 0.4508(11) 0.265(18) Uani 1 1 d DU . .
H42A H 0.0078 -0.2935 0.4732 0.397 Uiso 1 1 calc R . .
H42B H -0.0131 -0.2071 0.4467 0.397 Uiso 1 1 calc R . .
H42C H 0.0728 -0.2344 0.4735 0.397 Uiso 1 1 calc R . .
C43 C -0.0285(8) -0.1527(10) 0.3229(8) 0.094(5) Uani 1 1 d . . .
H43A H -0.0083 -0.1025 0.3147 0.113 Uiso 1 1 calc R . .
H43B H -0.0559 -0.1431 0.3513 0.113 Uiso 1 1 calc R . .
C44 C -0.0853(14) -0.1902(19) 0.2581(11) 0.175(12) Uani 1 1 d . . .
H44A H -0.1268 -0.1539 0.2387 0.262 Uiso 1 1 calc R . .
H44B H -0.1055 -0.2396 0.2667 0.262 Uiso 1 1 calc R . .
H44C H -0.0578 -0.1995 0.2303 0.262 Uiso 1 1 calc R . .
C45 C 0.3048(6) -0.0463(6) 0.1959(5) 0.054(3) Uani 1 1 d . . .
C46 C 0.3241(9) 0.0005(8) 0.0988(6) 0.078(4) Uani 1 1 d . . .
H46A H 0.3684 0.0013 0.0860 0.094 Uiso 1 1 calc R . .
H46B H 0.3169 0.0538 0.1121 0.094 Uiso 1 1 calc R . .
C47 C 0.2533(12) -0.0237(10) 0.0429(7) 0.103(6) Uani 1 1 d . . .
H47A H 0.2455 0.0133 0.0089 0.155 Uiso 1 1 calc R . .
H47B H 0.2092 -0.0235 0.0552 0.155 Uiso 1 1 calc R . .
H47C H 0.2606 -0.0761 0.0292 0.155 Uiso 1 1 calc R . .
C48 C 0.3872(8) -0.1244(8) 0.1523(7) 0.080(4) Uani 1 1 d . . .
H48A H 0.3803 -0.1377 0.1091 0.096 Uiso 1 1 calc R . .
H48B H 0.3707 -0.1697 0.1707 0.096 Uiso 1 1 calc R . .
C49 C 0.4700(10) -0.1092(11) 0.1879(10) 0.118(7) Uani 1 1 d . . .
H49A H 0.4993 -0.1551 0.1855 0.177 Uiso 1 1 calc R . .
H49B H 0.4775 -0.0984 0.2312 0.177 Uiso 1 1 calc R . .
H49C H 0.4865 -0.0642 0.1701 0.177 Uiso 1 1 calc R . .
Sb1 Sb 0.5000 0.0000 0.0000 0.1387(8) Uani 1 2 d SD . .
F1 F 0.566(2) 0.000(3) 0.0839(8) 0.244(12) Uani 0.489(18) 1 d PDU A 1
F2 F 0.433(2) 0.061(2) 0.025(2) 0.233(14) Uani 0.489(18) 1 d PDU A 1
F3 F 0.5406(19) 0.0929(13) -0.018(2) 0.207(13) Uani 0.489(18) 1 d PDU A 1
F1' F 0.6050(6) 0.016(2) 0.0311(18) 0.237(12) Uani 0.511(18) 1 d PDU A 2
F2' F 0.491(2) 0.056(2) 0.0674(13) 0.236(12) Uani 0.511(18) 1 d PDU A 2
F3' F 0.4889(17) 0.0934(15) -0.0448(19) 0.203(13) Uani 0.511(18) 1 d PDU A 2
Sb2 Sb -0.2422(3) 0.3864(3) 0.1430(2) 0.1833(17) Uani 0.50 1 d PD . .
F4 F -0.253(2) 0.4959(5) 0.142(2) 0.42(4) Uani 0.50 1 d PDU . .
F5 F -0.3192(13) 0.380(2) 0.1762(14) 0.34(3) Uani 0.50 1 d PDU . .
F6 F -0.233(2) 0.2769(5) 0.1452(19) 0.37(3) Uani 0.50 1 d PDU . .
F7 F -0.1602(9) 0.3994(13) 0.1166(11) 0.143(8) Uani 0.50 1 d PDU . .
F8 F -0.3135(13) 0.380(2) 0.0623(6) 0.32(3) Uani 0.50 1 d PDU . .
F9 F -0.1708(14) 0.393(2) 0.2243(6) 0.33(3) Uani 0.50 1 d PDU . .


_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 P1 2.267(3) . ?
Au1 S1 2.311(3) . ?
Au1 Au2 2.9725(8) . ?
Au2 S3 2.273(4) . ?
Au2 S2 2.288(3) . ?
Au2 Au3 2.9376(7) . ?
Au4 P2 2.270(3) . ?
Au4 S6 2.315(3) . ?
Au4 Au3 2.9684(8) . ?
Au3 S4 2.265(4) . ?
Au3 S5 2.291(4) . ?
S1 C45 1.729(10) . ?
S2 C45 1.721(11) . ?
S3 C40 1.720(13) . ?
S4 C40 1.722(12) . ?
S5 C35 1.711(11) . ?
S6 C35 1.703(13) . ?
P2 C16 1.810(10) . ?
P2 C29 1.812(11) . ?
P2 C23 1.839(13) . ?
P1 C1 1.812(11) . ?
P1 C7 1.840(11) . ?
P1 C13 1.842(10) . ?
N1 C45 1.353(15) . ?
N1 C48 1.477(15) . ?
N1 C46 1.487(15) . ?
N2 C40 1.318(16) . ?
N2 C43 1.471(19) . ?
N2 C41 1.54(2) . ?
N3 C35 1.374(16) . ?
N3 C36 1.443(16) . ?
N3 C38 1.52(2) . ?
C1 C2 1.338(18) . ?
C1 C6 1.41(2) . ?
C2 C3 1.39(2) . ?
C3 C4 1.40(3) . ?
C4 C5 1.33(3) . ?
C5 C6 1.43(2) . ?
C7 C8 1.360(15) . ?
C7 C12 1.375(16) . ?
C8 C9 1.414(15) . ?
C9 C10 1.338(18) . ?
C10 C11 1.36(2) . ?
C11 C12 1.352(17) . ?
C13 C14 1.337(15) . ?
C13 C22 1.447(13) . ?
C14 C15 1.418(14) . ?
C15 C16 1.383(14) . ?
C16 C17 1.409(15) . ?
C17 C18 1.413(13) . ?
C17 C22 1.420(14) . ?
C18 C19 1.345(16) . ?
C19 C20 1.392(16) . ?
C20 C21 1.384(14) . ?
C21 C22 1.375(15) . ?
C23 C28 1.35(2) . ?
C23 C24 1.43(2) . ?
C24 C25 1.40(2) . ?
C25 C26 1.48(3) . ?
C26 C27 1.25(3) . ?
C27 C28 1.46(2) . ?
C29 C30 1.374(16) . ?
C29 C34 1.374(17) . ?
C30 C31 1.419(19) . ?
C31 C32 1.41(2) . ?
C32 C33 1.39(2) . ?
C33 C34 1.347(19) . ?
C36 C37 1.53(2) . ?
C38 C39 1.54(3) . ?
C41 C42 1.521(18) . ?
C43 C44 1.60(3) . ?
C46 C47 1.53(2) . ?
C48 C49 1.49(2) . ?
Sb1 F3' 1.843(10) . ?
Sb1 F3' 1.843(10) 3_655 ?
Sb1 F3 1.845(10) . ?
Sb1 F3 1.845(10) 3_655 ?
Sb1 F1' 1.852(10) . ?
Sb1 F1' 1.852(10) 3_655 ?
Sb1 F2 1.852(10) 3_655 ?
Sb1 F2 1.852(10) . ?
Sb1 F2' 1.853(10) 3_655 ?
Sb1 F2' 1.853(10) . ?
Sb1 F1 1.864(10) 3_655 ?
Sb1 F1 1.864(10) . ?
Sb2 F8 1.844(5) . ?
Sb2 F7 1.847(5) . ?
Sb2 F6 1.848(5) . ?
Sb2 F5 1.850(5) . ?
Sb2 F4 1.854(5) . ?
Sb2 F9 1.855(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Au1 S1 172.72(11) . . ?
P1 Au1 Au2 102.13(7) . . ?
S1 Au1 Au2 82.95(7) . . ?
S3 Au2 S2 169.22(13) . . ?
S3 Au2 Au3 91.31(9) . . ?
S2 Au2 Au3 97.01(7) . . ?
S3 Au2 Au1 92.53(9) . . ?
S2 Au2 Au1 83.46(7) . . ?
Au3 Au2 Au1 151.25(2) . . ?
P2 Au4 S6 172.63(10) . . ?
P2 Au4 Au3 102.52(7) . . ?
S6 Au4 Au3 84.78(7) . . ?
S4 Au3 S5 173.10(13) . . ?
S4 Au3 Au2 91.14(9) . . ?
S5 Au3 Au2 95.01(8) . . ?
S4 Au3 Au4 94.41(10) . . ?
S5 Au3 Au4 83.32(9) . . ?
Au2 Au3 Au4 136.05(2) . . ?
C45 S1 Au1 106.3(4) . . ?
C45 S2 Au2 104.9(4) . . ?
C40 S3 Au2 116.0(4) . . ?
C40 S4 Au3 116.0(5) . . ?
C35 S5 Au3 107.3(4) . . ?
C35 S6 Au4 103.6(4) . . ?
C16 P2 C29 104.0(5) . . ?
C16 P2 C23 109.5(5) . . ?
C29 P2 C23 105.4(6) . . ?
C16 P2 Au4 110.1(4) . . ?
C29 P2 Au4 114.7(4) . . ?
C23 P2 Au4 112.7(4) . . ?
C1 P1 C7 104.7(5) . . ?
C1 P1 C13 106.4(5) . . ?
C7 P1 C13 106.3(5) . . ?
C1 P1 Au1 117.3(4) . . ?
C7 P1 Au1 112.3(4) . . ?
C13 P1 Au1 109.2(3) . . ?
C45 N1 C48 122.5(11) . . ?
C45 N1 C46 122.2(10) . . ?
C48 N1 C46 115.1(11) . . ?
C40 N2 C43 124.0(12) . . ?
C40 N2 C41 121.1(14) . . ?
C43 N2 C41 114.9(14) . . ?
C35 N3 C36 122.1(12) . . ?
C35 N3 C38 120.9(10) . . ?
C36 N3 C38 116.9(12) . . ?
C2 C1 C6 119.3(12) . . ?
C2 C1 P1 121.7(10) . . ?
C6 C1 P1 119.0(11) . . ?
C1 C2 C3 122.9(17) . . ?
C2 C3 C4 119.3(18) . . ?
C5 C4 C3 118.8(17) . . ?
C4 C5 C6 122.8(19) . . ?
C1 C6 C5 117.0(17) . . ?
C8 C7 C12 121.4(11) . . ?
C8 C7 P1 116.9(9) . . ?
C12 C7 P1 121.7(9) . . ?
C7 C8 C9 117.9(11) . . ?
C10 C9 C8 120.3(12) . . ?
C9 C10 C11 119.8(12) . . ?
C12 C11 C10 122.0(12) . . ?
C11 C12 C7 118.3(12) . . ?
C14 C13 C22 120.9(9) . . ?
C14 C13 P1 119.4(7) . . ?
C22 C13 P1 118.9(8) . . ?
C13 C14 C15 121.4(10) . . ?
C16 C15 C14 119.9(10) . . ?
C15 C16 C17 119.8(9) . . ?
C15 C16 P2 120.1(8) . . ?
C17 C16 P2 120.0(7) . . ?
C16 C17 C18 123.5(10) . . ?
C16 C17 C22 120.6(9) . . ?
C18 C17 C22 115.8(10) . . ?
C19 C18 C17 123.2(10) . . ?
C18 C19 C20 119.8(10) . . ?
C21 C20 C19 119.5(10) . . ?
C22 C21 C20 120.6(10) . . ?
C21 C22 C17 120.9(9) . . ?
C21 C22 C13 121.7(9) . . ?
C17 C22 C13 117.4(10) . . ?
C28 C23 C24 123.4(14) . . ?
C28 C23 P2 123.2(11) . . ?
C24 C23 P2 113.1(12) . . ?
C25 C24 C23 117.0(18) . . ?
C24 C25 C26 119.3(18) . . ?
C27 C26 C25 119.1(18) . . ?
C26 C27 C28 125(2) . . ?
C23 C28 C27 115.9(16) . . ?
C30 C29 C34 118.6(11) . . ?
C30 C29 P2 120.3(9) . . ?
C34 C29 P2 121.1(9) . . ?
C29 C30 C31 121.1(13) . . ?
C32 C31 C30 117.8(14) . . ?
C33 C32 C31 119.5(13) . . ?
C34 C33 C32 120.3(15) . . ?
C33 C34 C29 122.6(13) . . ?
N3 C35 S6 115.5(8) . . ?
N3 C35 S5 116.1(9) . . ?
S6 C35 S5 128.3(7) . . ?
N3 C36 C37 112.9(12) . . ?
N3 C38 C39 109.0(16) . . ?
N2 C40 S3 116.4(10) . . ?
N2 C40 S4 119.2(10) . . ?
S3 C40 S4 124.4(7) . . ?
C42 C41 N2 106.9(19) . . ?
N2 C43 C44 108.5(15) . . ?
N1 C45 S2 117.0(8) . . ?
N1 C45 S1 117.0(8) . . ?
S2 C45 S1 126.0(7) . . ?
N1 C46 C47 111.4(11) . . ?
N1 C48 C49 112.5(12) . . ?
F3' Sb1 F3' 180.0(18) . 3_655 ?
F3' Sb1 F3 29.5(12) . . ?
F3' Sb1 F3 150.5(12) 3_655 . ?
F3' Sb1 F3 150.5(12) . 3_655 ?
F3' Sb1 F3 29.5(12) 3_655 3_655 ?
F3 Sb1 F3 180.0(18) . 3_655 ?
F3' Sb1 F1' 88.9(13) . . ?
F3' Sb1 F1' 91.1(13) 3_655 . ?
F3 Sb1 F1' 59.9(15) . . ?
F3 Sb1 F1' 120.1(15) 3_655 . ?
F3' Sb1 F1' 91.1(13) . 3_655 ?
F3' Sb1 F1' 88.9(13) 3_655 3_655 ?
F3 Sb1 F1' 120.1(15) . 3_655 ?
F3 Sb1 F1' 59.9(15) 3_655 3_655 ?
F1' Sb1 F1' 180.0(3) . 3_655 ?
F3' Sb1 F2 104.8(18) . 3_655 ?
F3' Sb1 F2 75.2(18) 3_655 3_655 ?
F3 Sb1 F2 91.5(14) . 3_655 ?
F3 Sb1 F2 88.5(14) 3_655 3_655 ?
F1' Sb1 F2 57.4(16) . 3_655 ?
F1' Sb1 F2 122.6(16) 3_655 3_655 ?
F3' Sb1 F2 75.2(18) . . ?
F3' Sb1 F2 104.8(18) 3_655 . ?
F3 Sb1 F2 88.5(14) . . ?
F3 Sb1 F2 91.5(14) 3_655 . ?
F1' Sb1 F2 122.6(16) . . ?
F1' Sb1 F2 57.4(16) 3_655 . ?
F2 Sb1 F2 180.0(16) 3_655 . ?
F3' Sb1 F2' 90.0(14) . 3_655 ?
F3' Sb1 F2' 90.0(14) 3_655 3_655 ?
F3 Sb1 F2' 95(2) . 3_655 ?
F3 Sb1 F2' 85(2) 3_655 3_655 ?
F1' Sb1 F2' 89.6(14) . 3_655 ?
F1' Sb1 F2' 90.4(14) 3_655 3_655 ?
F2 Sb1 F2' 36.5(14) 3_655 3_655 ?
F2 Sb1 F2' 143.5(14) . 3_655 ?
F3' Sb1 F2' 90.0(14) . . ?
F3' Sb1 F2' 90.0(14) 3_655 . ?
F3 Sb1 F2' 85(2) . . ?
F3 Sb1 F2' 95(2) 3_655 . ?
F1' Sb1 F2' 90.4(14) . . ?
F1' Sb1 F2' 89.6(14) 3_655 . ?
F2 Sb1 F2' 143.5(14) 3_655 . ?
F2 Sb1 F2' 36.5(14) . . ?
F2' Sb1 F2' 180.0(17) 3_655 . ?
F3' Sb1 F1 62(2) . 3_655 ?
F3' Sb1 F1 118(2) 3_655 3_655 ?
F3 Sb1 F1 87.1(15) . 3_655 ?
F3 Sb1 F1 92.9(15) 3_655 3_655 ?
F1' Sb1 F1 127.9(16) . 3_655 ?
F1' Sb1 F1 52.1(16) 3_655 3_655 ?
F2 Sb1 F1 87.5(13) 3_655 3_655 ?
F2 Sb1 F1 92.5(13) . 3_655 ?
F2' Sb1 F1 51.4(15) 3_655 3_655 ?
F2' Sb1 F1 128.6(15) . 3_655 ?
F3' Sb1 F1 118(2) . . ?
F3' Sb1 F1 62(2) 3_655 . ?
F3 Sb1 F1 92.9(15) . . ?
F3 Sb1 F1 87.1(15) 3_655 . ?
F1' Sb1 F1 52.1(16) . . ?
F1' Sb1 F1 127.9(16) 3_655 . ?
F2 Sb1 F1 92.5(13) 3_655 . ?
F2 Sb1 F1 87.5(13) . . ?
F2' Sb1 F1 128.6(15) 3_655 . ?
F2' Sb1 F1 51.4(15) . . ?
F1 Sb1 F1 180(3) 3_655 . ?
F8 Sb2 F7 94.1(8) . . ?
F8 Sb2 F6 89.9(8) . . ?
F7 Sb2 F6 92.5(8) . . ?
F8 Sb2 F5 90.7(8) . . ?
F7 Sb2 F5 174.2(9) . . ?
F6 Sb2 F5 90.8(8) . . ?
F8 Sb2 F4 90.3(8) . . ?
F7 Sb2 F4 88.7(8) . . ?
F6 Sb2 F4 178.7(10) . . ?
F5 Sb2 F4 87.9(8) . . ?
F8 Sb2 F9 179.5(10) . . ?
F7 Sb2 F9 86.1(8) . . ?
F6 Sb2 F9 90.5(8) . . ?
F5 Sb2 F9 89.1(8) . . ?
F4 Sb2 F9 89.3(8) . . ?

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
P1 Au1 Au2 S3 64.05(14) . . . . ?
S1 Au1 Au2 S3 -121.23(14) . . . . ?
P1 Au1 Au2 S2 -125.99(10) . . . . ?
S1 Au1 Au2 S2 48.73(11) . . . . ?
P1 Au1 Au2 Au3 -33.33(8) . . . . ?
S1 Au1 Au2 Au3 141.39(9) . . . . ?
S3 Au2 Au3 S4 -6.10(17) . . . . ?
S2 Au2 Au3 S4 -179.25(14) . . . . ?
Au1 Au2 Au3 S4 91.58(12) . . . . ?
S3 Au2 Au3 S5 170.78(16) . . . . ?
S2 Au2 Au3 S5 -2.37(13) . . . . ?
Au1 Au2 Au3 S5 -91.54(11) . . . . ?
S3 Au2 Au3 Au4 -103.66(13) . . . . ?
S2 Au2 Au3 Au4 83.19(9) . . . . ?
Au1 Au2 Au3 Au4 -5.98(6) . . . . ?
P2 Au4 Au3 S4 -53.81(13) . . . . ?
S6 Au4 Au3 S4 127.20(13) . . . . ?
P2 Au4 Au3 S5 132.73(11) . . . . ?
S6 Au4 Au3 S5 -46.26(12) . . . . ?
P2 Au4 Au3 Au2 42.44(8) . . . . ?
S6 Au4 Au3 Au2 -136.55(8) . . . . ?
P1 Au1 S1 C45 91.6(8) . . . . ?
Au2 Au1 S1 C45 -43.2(4) . . . . ?
S3 Au2 S2 C45 21.2(9) . . . . ?
Au3 Au2 S2 C45 161.5(4) . . . . ?
Au1 Au2 S2 C45 -47.4(4) . . . . ?
S2 Au2 S3 C40 142.5(7) . . . . ?
Au3 Au2 S3 C40 1.8(5) . . . . ?
Au1 Au2 S3 C40 -149.7(5) . . . . ?
S5 Au3 S4 C40 -142.8(11) . . . . ?
Au2 Au3 S4 C40 10.3(5) . . . . ?
Au4 Au3 S4 C40 146.7(5) . . . . ?
S4 Au3 S5 C35 -30.2(13) . . . . ?
Au2 Au3 S5 C35 176.8(4) . . . . ?
Au4 Au3 S5 C35 40.9(4) . . . . ?
P2 Au4 S6 C35 -127.5(9) . . . . ?
Au3 Au4 S6 C35 44.8(4) . . . . ?
S6 Au4 P2 C16 142.6(8) . . . . ?
Au3 Au4 P2 C16 -29.5(3) . . . . ?
S6 Au4 P2 C29 25.7(10) . . . . ?
Au3 Au4 P2 C29 -146.4(4) . . . . ?
S6 Au4 P2 C23 -94.9(9) . . . . ?
Au3 Au4 P2 C23 93.0(4) . . . . ?
S1 Au1 P1 C1 127.4(8) . . . . ?
Au2 Au1 P1 C1 -98.7(4) . . . . ?
S1 Au1 P1 C7 6.1(8) . . . . ?
Au2 Au1 P1 C7 140.0(3) . . . . ?
S1 Au1 P1 C13 -111.5(8) . . . . ?
Au2 Au1 P1 C13 22.3(3) . . . . ?
C7 P1 C1 C2 -20.0(11) . . . . ?
C13 P1 C1 C2 92.3(10) . . . . ?
Au1 P1 C1 C2 -145.2(9) . . . . ?
C7 P1 C1 C6 159.0(10) . . . . ?
C13 P1 C1 C6 -88.7(11) . . . . ?
Au1 P1 C1 C6 33.8(11) . . . . ?
C6 C1 C2 C3 1(2) . . . . ?
P1 C1 C2 C3 179.9(13) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C2 C3 C4 C5 -1(3) . . . . ?
C3 C4 C5 C6 2(3) . . . . ?
C2 C1 C6 C5 0(2) . . . . ?
P1 C1 C6 C5 -178.9(11) . . . . ?
C4 C5 C6 C1 -2(3) . . . . ?
C1 P1 C7 C8 -91.5(9) . . . . ?
C13 P1 C7 C8 156.2(8) . . . . ?
Au1 P1 C7 C8 36.8(9) . . . . ?
C1 P1 C7 C12 89.7(10) . . . . ?
C13 P1 C7 C12 -22.6(11) . . . . ?
Au1 P1 C7 C12 -142.0(9) . . . . ?
C12 C7 C8 C9 -2.2(16) . . . . ?
P1 C7 C8 C9 179.0(9) . . . . ?
C7 C8 C9 C10 3.0(18) . . . . ?
C8 C9 C10 C11 0(2) . . . . ?
C9 C10 C11 C12 -4(2) . . . . ?
C10 C11 C12 C7 5(2) . . . . ?
C8 C7 C12 C11 -1.5(18) . . . . ?
P1 C7 C12 C11 177.2(10) . . . . ?
C1 P1 C13 C14 9.2(10) . . . . ?
C7 P1 C13 C14 120.3(9) . . . . ?
Au1 P1 C13 C14 -118.3(8) . . . . ?
C1 P1 C13 C22 179.4(8) . . . . ?
C7 P1 C13 C22 -69.5(9) . . . . ?
Au1 P1 C13 C22 51.9(8) . . . . ?
C22 C13 C14 C15 2.6(16) . . . . ?
P1 C13 C14 C15 172.6(9) . . . . ?
C13 C14 C15 C16 -1.5(17) . . . . ?
C14 C15 C16 C17 0.8(16) . . . . ?
C14 C15 C16 P2 -176.8(8) . . . . ?
C29 P2 C16 C15 -111.5(9) . . . . ?
C23 P2 C16 C15 0.7(11) . . . . ?
Au4 P2 C16 C15 125.2(8) . . . . ?
C29 P2 C16 C17 70.9(9) . . . . ?
C23 P2 C16 C17 -176.9(8) . . . . ?
Au4 P2 C16 C17 -52.4(8) . . . . ?
C15 C16 C17 C18 -178.6(10) . . . . ?
P2 C16 C17 C18 -1.0(14) . . . . ?
C15 C16 C17 C22 -1.4(15) . . . . ?
P2 C16 C17 C22 176.2(7) . . . . ?
C16 C17 C18 C19 174.7(10) . . . . ?
C22 C17 C18 C19 -2.7(15) . . . . ?
C17 C18 C19 C20 3.5(17) . . . . ?
C18 C19 C20 C21 0.1(17) . . . . ?
C19 C20 C21 C22 -4.4(16) . . . . ?
C20 C21 C22 C17 5.3(15) . . . . ?
C20 C21 C22 C13 -176.5(9) . . . . ?
C16 C17 C22 C21 -179.2(9) . . . . ?
C18 C17 C22 C21 -1.7(14) . . . . ?
C16 C17 C22 C13 2.5(14) . . . . ?
C18 C17 C22 C13 179.9(9) . . . . ?
C14 C13 C22 C21 178.5(10) . . . . ?
P1 C13 C22 C21 8.5(13) . . . . ?
C14 C13 C22 C17 -3.1(14) . . . . ?
P1 C13 C22 C17 -173.1(7) . . . . ?
C16 P2 C23 C28 -72.0(12) . . . . ?
C29 P2 C23 C28 39.3(12) . . . . ?
Au4 P2 C23 C28 165.1(10) . . . . ?
C16 P2 C23 C24 113.3(8) . . . . ?
C29 P2 C23 C24 -135.4(9) . . . . ?
Au4 P2 C23 C24 -9.5(9) . . . . ?
C28 C23 C24 C25 1.8(15) . . . . ?
P2 C23 C24 C25 176.4(10) . . . . ?
C23 C24 C25 C26 -2.0(16) . . . . ?
C24 C25 C26 C27 2(3) . . . . ?
C25 C26 C27 C28 -2(3) . . . . ?
C24 C23 C28 C27 -1(2) . . . . ?
P2 C23 C28 C27 -175.5(11) . . . . ?
C26 C27 C28 C23 2(3) . . . . ?
C16 P2 C29 C30 -133.5(10) . . . . ?
C23 P2 C29 C30 111.4(10) . . . . ?
Au4 P2 C29 C30 -13.2(11) . . . . ?
C16 P2 C29 C34 47.6(11) . . . . ?
C23 P2 C29 C34 -67.5(11) . . . . ?
Au4 P2 C29 C34 167.9(9) . . . . ?
C34 C29 C30 C31 2.3(19) . . . . ?
P2 C29 C30 C31 -176.6(10) . . . . ?
C29 C30 C31 C32 0(2) . . . . ?
C30 C31 C32 C33 -1(2) . . . . ?
C31 C32 C33 C34 -2(2) . . . . ?
C32 C33 C34 C29 4(2) . . . . ?
C30 C29 C34 C33 -5(2) . . . . ?
P2 C29 C34 C33 174.2(12) . . . . ?
C36 N3 C35 S6 -4.6(15) . . . . ?
C38 N3 C35 S6 174.6(12) . . . . ?
C36 N3 C35 S5 176.5(10) . . . . ?
C38 N3 C35 S5 -4.3(17) . . . . ?
Au4 S6 C35 N3 153.4(8) . . . . ?
Au4 S6 C35 S5 -27.9(8) . . . . ?
Au3 S5 C35 N3 160.6(8) . . . . ?
Au3 S5 C35 S6 -18.1(9) . . . . ?
C35 N3 C36 C37 93.3(17) . . . . ?
C38 N3 C36 C37 -85.9(19) . . . . ?
C35 N3 C38 C39 87.3(17) . . . . ?
C36 N3 C38 C39 -93.5(16) . . . . ?
C43 N2 C40 S3 -6.4(19) . . . . ?
C41 N2 C40 S3 173.6(13) . . . . ?
C43 N2 C40 S4 174.3(11) . . . . ?
C41 N2 C40 S4 -5.6(19) . . . . ?
Au2 S3 C40 N2 -173.3(9) . . . . ?
Au2 S3 C40 S4 5.9(10) . . . . ?
Au3 S4 C40 N2 166.8(9) . . . . ?
Au3 S4 C40 S3 -12.4(10) . . . . ?
C40 N2 C41 C42 98(2) . . . . ?
C43 N2 C41 C42 -82(2) . . . . ?
C40 N2 C43 C44 102.1(19) . . . . ?
C41 N2 C43 C44 -77.9(19) . . . . ?
C48 N1 C45 S2 12.3(15) . . . . ?
C46 N1 C45 S2 -172.7(9) . . . . ?
C48 N1 C45 S1 -168.5(9) . . . . ?
C46 N1 C45 S1 6.4(15) . . . . ?
Au2 S2 C45 N1 -152.1(8) . . . . ?
Au2 S2 C45 S1 28.9(8) . . . . ?
Au1 S1 C45 N1 -159.3(7) . . . . ?
Au1 S1 C45 S2 19.7(8) . . . . ?
C45 N1 C46 C47 -86.5(15) . . . . ?
C48 N1 C46 C47 88.8(15) . . . . ?
C45 N1 C48 C49 -93.1(17) . . . . ?
C46 N1 C48 C49 91.7(16) . . . . ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         3.492
_refine_diff_density_min         -3.437
_refine_diff_density_rms         0.245


####################################################################### 
# 
# 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_4
_database_code_depnum_ccdc_archive 'CCDC 936709'
_audit_update_record             
;
2015-03-26 deposited with the CCDC.
2015-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C55 H68 Au4.50 Cl2 F9 N4 P2 S8 Sb1.50'
_chemical_formula_weight         2414.43

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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   p-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.747(6)
_cell_length_b                   14.952(6)
_cell_length_c                   19.077(9)
_cell_angle_alpha                93.190(5)
_cell_angle_beta                 107.365(6)
_cell_angle_gamma                97.674(5)
_cell_volume                     3690(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    12156
_cell_measurement_theta_min      2.1972
_cell_measurement_theta_max      27.5438

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    2.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2262
_exptl_absorpt_coefficient_mu    9.855
_exptl_absorpt_correction_type   MULTI-SCAN
_exptl_absorpt_correction_T_min  0.1034
_exptl_absorpt_correction_T_max  0.139
_exptl_absorpt_process_details   
;
RIGAKU/MSC(2004), CrystalClear Version 1.3.6,  
  Rigaku/MSC, 9009 New Trails Drive, The Woodlands, TX77381-5209, USA
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            35689
_diffrn_reflns_av_R_equivalents  0.0828
_diffrn_reflns_av_unetI/netI     0.1184
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         25.00
_reflns_number_total             12976
_reflns_number_gt                8408
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0838P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12976
_refine_ls_number_parameters     797
_refine_ls_number_restraints     562
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0549
_refine_ls_wR_factor_ref         0.1839
_refine_ls_wR_factor_gt          0.1393
_refine_ls_goodness_of_fit_ref   0.947
_refine_ls_restrained_S_all      0.964
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au5 Au 0.5000 0.5000 0.5000 0.0391(2) Uani 1 2 d SU . .
Au4 Au 0.38700(5) 0.52848(4) 0.26899(3) 0.03965(18) Uani 1 1 d U . .
Au3 Au 0.61688(5) 0.54928(5) 0.31656(3) 0.04291(18) Uani 1 1 d U . .
Au2 Au 0.83431(5) 0.55308(5) 0.31757(3) 0.04391(18) Uani 1 1 d U . .
Au1 Au 0.88887(4) 0.47493(4) 0.18213(3) 0.04128(18) Uani 1 1 d U . .
P1 P 0.7715(3) 0.3468(3) 0.1357(2) 0.0374(9) Uani 1 1 d U . .
P2 P 0.3451(3) 0.3935(3) 0.1970(2) 0.0373(9) Uani 1 1 d U . .
S6 S 0.4082(3) 0.6731(3) 0.3307(2) 0.0471(10) Uani 1 1 d U . .
S7 S 0.6698(3) 0.4939(3) 0.5692(2) 0.0449(10) Uani 1 1 d U . .
S3 S 0.8589(3) 0.4609(3) 0.4121(2) 0.0511(11) Uani 1 1 d U . .
N1 N 0.9818(11) 0.7683(10) 0.2118(8) 0.055(4) Uani 1 1 d U . .
C40 C 0.5191(12) 0.7362(11) 0.3168(8) 0.044(4) Uani 1 1 d U . .
N3 N 0.5327(12) 0.8246(11) 0.3344(8) 0.063(4) Uani 1 1 d U . .
C35 C 0.9480(13) 0.6853(13) 0.2250(9) 0.054(4) Uani 1 1 d U . .
C36 C 0.9281(15) 0.8471(14) 0.2235(11) 0.070(6) Uani 1 1 d U . .
H36A H 0.9033 0.8388 0.2656 0.085 Uiso 1 1 calc R . .
H36B H 0.9778 0.9025 0.2351 0.085 Uiso 1 1 calc R . .
C43 C 0.615(2) 0.9213(19) 0.2600(14) 0.114(9) Uani 1 1 d U . .
H43A H 0.6771 0.9611 0.2635 0.171 Uiso 1 1 calc R . .
H43B H 0.5574 0.9543 0.2471 0.171 Uiso 1 1 calc R . .
H43C H 0.6037 0.8720 0.2226 0.171 Uiso 1 1 calc R . .
C42 C 0.6233(16) 0.8838(15) 0.3343(11) 0.076(6) Uani 1 1 d U . .
H42A H 0.6816 0.8511 0.3471 0.091 Uiso 1 1 calc R . .
H42B H 0.6370 0.9341 0.3721 0.091 Uiso 1 1 calc R . .
C38 C 1.0692(14) 0.7886(14) 0.1788(10) 0.066(5) Uani 1 1 d U . .
H38A H 1.0777 0.7336 0.1534 0.079 Uiso 1 1 calc R . .
H38B H 1.0529 0.8325 0.1431 0.079 Uiso 1 1 calc R . .
Sb6 Sb 0.14743(11) 0.97296(10) 0.44587(8) 0.0688(4) Uani 1 1 d U . .
Sb7 Sb 0.0000 0.0000 0.0000 0.0768(6) Uani 1 2 d SU . .
S1 S 1.0197(3) 0.6009(3) 0.2191(2) 0.0485(10) Uani 1 1 d U . .
S4 S 0.6223(3) 0.4052(3) 0.3511(2) 0.0505(11) Uani 1 1 d U . .
S5 S 0.6016(4) 0.6910(3) 0.2797(3) 0.0571(12) Uani 1 1 d U . .
S2 S 0.8323(3) 0.6693(3) 0.2449(2) 0.0535(11) Uani 1 1 d U . .
C18 C 0.5006(10) 0.4450(10) 0.1334(7) 0.030(3) Uani 1 1 d U . .
F3 F 0.2568(11) 1.0686(10) 0.4700(8) 0.108(4) Uani 1 1 d U . .
C34 C 0.7416(11) 0.3106(10) 0.0374(8) 0.037(3) Uani 1 1 d U . .
C20 C 0.5070(12) 0.5915(11) 0.0842(8) 0.045(4) Uani 1 1 d U . .
H20A H 0.4770 0.6431 0.0722 0.054 Uiso 1 1 calc R . .
F6 F 0.0372(11) 0.8747(11) 0.4199(8) 0.114(5) Uani 1 1 d U . .
C15 C 0.5910(11) 0.2872(10) 0.1672(7) 0.037(3) Uani 1 1 d U . .
H15A H 0.6180 0.2336 0.1764 0.044 Uiso 1 1 calc R . .
C17 C 0.6007(10) 0.4373(10) 0.1227(7) 0.032(3) Uani 1 1 d U . .
N2 N 0.7486(10) 0.3214(9) 0.4467(7) 0.046(3) Uani 1 1 d U . .
C19 C 0.4583(11) 0.5241(10) 0.1130(8) 0.039(4) Uani 1 1 d U . .
H19A H 0.3951 0.5307 0.1194 0.046 Uiso 1 1 calc R . .
C13 C 0.4542(11) 0.3727(10) 0.1654(8) 0.035(3) Uani 1 1 d U . .
F1 F 0.1166(11) 0.9937(11) 0.3468(8) 0.115(5) Uani 1 1 d U . .
F2 F 0.2303(12) 0.8935(12) 0.4302(9) 0.128(5) Uani 1 1 d U . .
F4 F 0.0584(11) 1.0574(11) 0.4540(8) 0.117(5) Uani 1 1 d U . .
C16 C 0.6445(11) 0.3571(10) 0.1414(8) 0.036(3) Uani 1 1 d U . .
C14 C 0.4941(11) 0.2966(11) 0.1799(8) 0.039(4) Uani 1 1 d U . .
H14A H 0.4599 0.2499 0.1981 0.047 Uiso 1 1 calc R . .
C22 C 0.6432(12) 0.5088(11) 0.0910(8) 0.045(4) Uani 1 1 d U . .
H22A H 0.7053 0.5043 0.0820 0.054 Uiso 1 1 calc R . .
C23 C 0.8215(12) 0.2504(12) 0.2582(9) 0.047(4) Uani 1 1 d U . .
H23A H 0.7928 0.2930 0.2797 0.057 Uiso 1 1 calc R . .
C47 C 0.8497(12) 0.2940(12) 0.4883(9) 0.052(4) Uani 1 1 d U . .
H47A H 0.9031 0.3180 0.4677 0.062 Uiso 1 1 calc R . .
H47B H 0.8437 0.2284 0.4844 0.062 Uiso 1 1 calc R . .
C28 C 0.8186(12) 0.2545(11) 0.1839(8) 0.043(4) Uani 1 1 d U . .
C21 C 0.5999(12) 0.5840(11) 0.0727(8) 0.044(4) Uani 1 1 d U . .
H21A H 0.6324 0.6298 0.0527 0.053 Uiso 1 1 calc R . .
C29 C 0.6726(13) 0.2316(13) 0.0072(10) 0.058(5) Uani 1 1 d U . .
H29A H 0.6438 0.1977 0.0376 0.069 Uiso 1 1 calc R . .
C33 C 0.7834(13) 0.3681(12) -0.0067(9) 0.053(4) Uani 1 1 d U . .
H33A H 0.8290 0.4213 0.0138 0.063 Uiso 1 1 calc R . .
C44 C 0.7464(11) 0.3923(11) 0.4054(8) 0.042(4) Uani 1 1 d U . .
F5 F 0.1729(13) 0.9521(12) 0.5428(9) 0.135(6) Uani 1 1 d U . .
C48 C 0.8778(15) 0.3316(14) 0.5693(10) 0.072(6) Uani 1 1 d U . .
H48A H 0.9419 0.3140 0.5968 0.108 Uiso 1 1 calc R . .
H48B H 0.8244 0.3079 0.5892 0.108 Uiso 1 1 calc R . .
H48C H 0.8848 0.3966 0.5728 0.108 Uiso 1 1 calc R . .
C25 C 0.9097(16) 0.1256(15) 0.2669(12) 0.077(6) Uani 1 1 d U . .
H25A H 0.9427 0.0827 0.2943 0.092 Uiso 1 1 calc R . .
C30 C 0.6445(16) 0.2008(16) -0.0701(12) 0.078(6) Uani 1 1 d U . .
H30A H 0.6017 0.1464 -0.0912 0.094 Uiso 1 1 calc R . .
C32 C 0.7532(15) 0.3413(15) -0.0812(11) 0.072(6) Uani 1 1 d U . .
H32A H 0.7770 0.3779 -0.1124 0.086 Uiso 1 1 calc R . .
C27 C 0.8577(13) 0.1902(12) 0.1561(10) 0.055(4) Uani 1 1 d U . .
H27A H 0.8519 0.1872 0.1062 0.065 Uiso 1 1 calc R . .
N4 N 0.7986(10) 0.6468(9) 0.5631(7) 0.043(3) Uani 1 1 d U . .
C49 C 0.7066(11) 0.5999(10) 0.5420(8) 0.035(3) Uani 1 1 d U . .
C6 C 0.2340(11) 0.3905(10) 0.1147(7) 0.034(3) Uani 1 1 d U . .
C5 C 0.2331(13) 0.3529(12) 0.0462(9) 0.050(4) Uani 1 1 d U . .
H5A H 0.2893 0.3288 0.0401 0.061 Uiso 1 1 calc R . .
C50 C 0.8841(12) 0.6132(12) 0.6112(9) 0.049(4) Uani 1 1 d U . .
H50A H 0.9462 0.6356 0.5993 0.059 Uiso 1 1 calc R . .
H50B H 0.8727 0.5475 0.6032 0.059 Uiso 1 1 calc R . .
C52 C 0.8183(13) 0.7337(12) 0.5362(9) 0.050(4) Uani 1 1 d U . .
H52A H 0.8669 0.7744 0.5765 0.060 Uiso 1 1 calc R . .
H52B H 0.7543 0.7586 0.5221 0.060 Uiso 1 1 calc R . .
C1 C 0.1518(12) 0.4272(12) 0.1234(9) 0.052(4) Uani 1 1 d U . .
H1A H 0.1566 0.4575 0.1685 0.062 Uiso 1 1 calc R . .
C51 C 0.8992(16) 0.6416(15) 0.6908(11) 0.077(6) Uani 1 1 d U . .
H51A H 0.9569 0.6174 0.7213 0.115 Uiso 1 1 calc R . .
H51B H 0.8381 0.6189 0.7030 0.115 Uiso 1 1 calc R . .
H51C H 0.9122 0.7066 0.6993 0.115 Uiso 1 1 calc R . .
C2 C 0.0602(16) 0.4191(14) 0.0641(11) 0.073(6) Uani 1 1 d U . .
H2A H 0.0014 0.4386 0.0701 0.088 Uiso 1 1 calc R . .
C53 C 0.8585(15) 0.7334(14) 0.4740(11) 0.074(6) Uani 1 1 d U . .
H53A H 0.8686 0.7940 0.4605 0.111 Uiso 1 1 calc R . .
H53B H 0.8103 0.6949 0.4330 0.111 Uiso 1 1 calc R . .
H53C H 0.9232 0.7110 0.4875 0.111 Uiso 1 1 calc R . .
C46 C 0.6257(15) 0.1811(14) 0.3886(10) 0.071(6) Uani 1 1 d U . .
H46A H 0.5651 0.1432 0.3914 0.107 Uiso 1 1 calc R . .
H46B H 0.6811 0.1464 0.3954 0.107 Uiso 1 1 calc R . .
H46C H 0.6114 0.2039 0.3411 0.107 Uiso 1 1 calc R . .
C3 C 0.0604(15) 0.3804(14) -0.0047(11) 0.069(5) Uani 1 1 d U . .
H3A H 0.0008 0.3740 -0.0450 0.082 Uiso 1 1 calc R . .
C45 C 0.6569(14) 0.2616(13) 0.4497(10) 0.065(5) Uani 1 1 d U . .
H45A H 0.6002 0.2958 0.4435 0.078 Uiso 1 1 calc R . .
H45B H 0.6708 0.2386 0.4977 0.078 Uiso 1 1 calc R . .
C31 C 0.6877(14) 0.2604(14) -0.1102(11) 0.067(5) Uani 1 1 d U . .
H31A H 0.6713 0.2445 -0.1607 0.081 Uiso 1 1 calc R . .
C4 C 0.1438(13) 0.3531(12) -0.0130(10) 0.053(4) Uani 1 1 d U . .
H4A H 0.1434 0.3332 -0.0602 0.063 Uiso 1 1 calc R . .
F9 F 0.0918(13) 0.1054(12) 0.0189(9) 0.135(6) Uani 1 1 d U . .
F8 F 0.0310(12) -0.0087(12) 0.1006(9) 0.134(6) Uani 1 1 d U . .
F7 F -0.1056(17) 0.0594(17) 0.0009(12) 0.199(9) Uani 1 1 d U . .
C12 C 0.3136(11) 0.2917(11) 0.2376(8) 0.038(4) Uani 1 1 d U . .
C11 C 0.3596(12) 0.2850(11) 0.3128(8) 0.043(4) Uani 1 1 d U . .
H11A H 0.4041 0.3350 0.3414 0.051 Uiso 1 1 calc R . .
C7 C 0.2443(14) 0.2199(13) 0.1969(11) 0.061(5) Uani 1 1 d U . .
H7A H 0.2071 0.2244 0.1481 0.073 Uiso 1 1 calc R . .
C8 C 0.2294(17) 0.1404(17) 0.2283(13) 0.088(7) Uani 1 1 d U . .
H8A H 0.1861 0.0899 0.1995 0.106 Uiso 1 1 calc R . .
C26 C 0.9073(16) 0.1263(15) 0.1981(12) 0.076(6) Uani 1 1 d U . .
H26A H 0.9382 0.0849 0.1773 0.091 Uiso 1 1 calc R . .
C24 C 0.8662(14) 0.1843(14) 0.3006(11) 0.066(5) Uani 1 1 d U . .
H24A H 0.8661 0.1809 0.3491 0.079 Uiso 1 1 calc R . .
C39 C 1.1637(19) 0.8242(19) 0.2363(14) 0.111(9) Uani 1 1 d U . .
H39A H 1.2187 0.8365 0.2152 0.167 Uiso 1 1 calc R . .
H39B H 1.1798 0.7805 0.2714 0.167 Uiso 1 1 calc R . .
H39C H 1.1554 0.8792 0.2608 0.167 Uiso 1 1 calc R . .
C37 C 0.840(2) 0.8574(19) 0.1583(14) 0.116(9) Uani 1 1 d U . .
H37A H 0.8091 0.9083 0.1690 0.174 Uiso 1 1 calc R . .
H37B H 0.7894 0.8033 0.1472 0.174 Uiso 1 1 calc R . .
H37C H 0.8640 0.8670 0.1166 0.174 Uiso 1 1 calc R . .
S8 S 0.5955(3) 0.6362(3) 0.4844(2) 0.0451(10) Uani 1 1 d U . .
C10 C 0.3428(13) 0.2113(12) 0.3450(10) 0.054(4) Uani 1 1 d U . .
H10A H 0.3736 0.2105 0.3954 0.065 Uiso 1 1 calc R . .
C9 C 0.2793(16) 0.1353(16) 0.3033(12) 0.076(6) Uani 1 1 d U . .
H9A H 0.2699 0.0816 0.3246 0.092 Uiso 1 1 calc R . .
C41 C 0.4548(17) 0.8761(16) 0.3602(12) 0.084(6) Uani 1 1 d U . .
H41A H 0.4562 0.9359 0.3430 0.101 Uiso 1 1 calc R . .
H41B H 0.3854 0.8430 0.3392 0.101 Uiso 1 1 calc R . .
C55 C 0.4828(17) 0.8844(16) 0.4401(12) 0.085(6) Uani 1 1 d U . .
H55A H 0.4354 0.9163 0.4556 0.128 Uiso 1 1 calc R . .
H55B H 0.5515 0.9173 0.4607 0.128 Uiso 1 1 calc R . .
H55C H 0.4801 0.8250 0.4569 0.128 Uiso 1 1 calc R . .
Cl2 Cl 0.3952(14) 0.1561(13) -0.0066(10) 0.211(7) Uani 0.710(14) 1 d PDU A 1
Cl1 Cl 0.4191(14) 0.0503(13) 0.1221(10) 0.216(7) Uani 0.710(14) 1 d PDU A 1
C01 C 0.405(3) 0.050(2) 0.0270(14) 0.224(8) Uani 0.710(14) 1 d PDU A 1
H01A H 0.4632 0.0272 0.0177 0.268 Uiso 0.710(14) 1 calc PR A 1
H01B H 0.3430 0.0075 -0.0003 0.268 Uiso 0.710(14) 1 calc PR A 1
C01' C 0.405(3) 0.050(2) 0.0270(14) 0.224(8) Uani 0.290(14) 1 d PDU A 2
H01C H 0.4158 -0.0038 0.0533 0.268 Uiso 0.290(14) 1 calc PR A 2
H01D H 0.4693 0.0912 0.0430 0.268 Uiso 0.290(14) 1 calc PR A 2
Cl1' Cl 0.317(3) 0.100(4) 0.055(3) 0.257(19) Uani 0.290(14) 1 d PDU A 2
Cl2' Cl 0.378(4) 0.016(4) -0.0663(18) 0.25(2) Uani 0.290(14) 1 d PDU A 2


_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
Au5 S7 2.330(4) 2_666 ?
Au5 S7 2.330(4) . ?
Au5 S8 2.355(4) . ?
Au5 S8 2.355(4) 2_666 ?
Au4 P2 2.280(4) . ?
Au4 S6 2.342(5) . ?
Au4 Au3 2.9834(16) . ?
Au3 S5 2.287(5) . ?
Au3 S4 2.291(5) . ?
Au3 Au2 2.9762(16) . ?
Au2 S2 2.281(5) . ?
Au2 S3 2.302(5) . ?
Au2 Au1 3.1078(14) . ?
Au1 P1 2.278(4) . ?
Au1 S1 2.338(4) . ?
P1 C28 1.787(17) . ?
P1 C16 1.807(15) . ?
P1 C34 1.829(15) . ?
P2 C12 1.806(16) . ?
P2 C6 1.828(14) . ?
P2 C13 1.831(15) . ?
S6 C40 1.780(16) . ?
S7 C49 1.753(15) . ?
S3 C44 1.704(16) . ?
N1 C35 1.33(2) . ?
N1 C36 1.51(2) . ?
N1 C38 1.52(2) . ?
C40 N3 1.32(2) . ?
C40 S5 1.695(17) . ?
N3 C42 1.43(2) . ?
N3 C41 1.57(3) . ?
C35 S1 1.721(19) . ?
C35 S2 1.731(18) . ?
C36 C37 1.49(3) . ?
C43 C42 1.53(3) . ?
C38 C39 1.44(3) . ?
Sb6 F2 1.823(17) . ?
Sb6 F5 1.830(17) . ?
Sb6 F3 1.859(14) . ?
Sb6 F1 1.863(15) . ?
Sb6 F6 1.891(15) . ?
Sb6 F4 1.903(16) . ?
Sb7 F7 1.80(2) . ?
Sb7 F7 1.80(2) 2 ?
Sb7 F9 1.828(17) . ?
Sb7 F9 1.828(17) 2 ?
Sb7 F8 1.853(16) . ?
Sb7 F8 1.853(16) 2 ?
S4 C44 1.755(15) . ?
C18 C19 1.41(2) . ?
C18 C13 1.438(19) . ?
C18 C17 1.468(18) . ?
C34 C29 1.39(2) . ?
C34 C33 1.42(2) . ?
C20 C19 1.37(2) . ?
C20 C21 1.38(2) . ?
C15 C16 1.39(2) . ?
C15 C14 1.446(19) . ?
C17 C22 1.40(2) . ?
C17 C16 1.43(2) . ?
N2 C44 1.354(19) . ?
N2 C45 1.46(2) . ?
N2 C47 1.503(19) . ?
C13 C14 1.34(2) . ?
C22 C21 1.36(2) . ?
C23 C24 1.40(2) . ?
C23 C28 1.41(2) . ?
C47 C48 1.53(2) . ?
C28 C27 1.32(2) . ?
C29 C30 1.44(3) . ?
C33 C32 1.38(2) . ?
C25 C26 1.30(3) . ?
C25 C24 1.36(3) . ?
C30 C31 1.39(3) . ?
C32 C31 1.38(3) . ?
C27 C26 1.40(3) . ?
N4 C49 1.296(18) . ?
N4 C50 1.428(19) . ?
N4 C52 1.45(2) . ?
C49 S8 1.766(15) . ?
C6 C1 1.37(2) . ?
C6 C5 1.39(2) . ?
C5 C4 1.40(2) . ?
C50 C51 1.50(2) . ?
C52 C53 1.45(2) . ?
C1 C2 1.41(2) . ?
C2 C3 1.41(3) . ?
C46 C45 1.55(2) . ?
C3 C4 1.32(2) . ?
C12 C7 1.36(2) . ?
C12 C11 1.40(2) . ?
C11 C10 1.32(2) . ?
C7 C8 1.38(3) . ?
C8 C9 1.40(3) . ?
C10 C9 1.38(3) . ?
C41 C55 1.45(3) . ?
Cl2 C01 1.756(19) . ?
Cl1 C01 1.765(19) . ?

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
S7 Au5 S7 180.000(1) 2_666 . ?
S7 Au5 S8 104.85(15) 2_666 . ?
S7 Au5 S8 75.15(15) . . ?
S7 Au5 S8 75.15(15) 2_666 2_666 ?
S7 Au5 S8 104.85(15) . 2_666 ?
S8 Au5 S8 180.0 . 2_666 ?
P2 Au4 S6 171.52(14) . . ?
P2 Au4 Au3 100.51(10) . . ?
S6 Au4 Au3 86.55(11) . . ?
S5 Au3 S4 176.78(16) . . ?
S5 Au3 Au2 96.22(12) . . ?
S4 Au3 Au2 86.77(11) . . ?
S5 Au3 Au4 82.39(12) . . ?
S4 Au3 Au4 94.41(11) . . ?
Au2 Au3 Au4 163.23(3) . . ?
S2 Au2 S3 166.87(17) . . ?
S2 Au2 Au3 94.51(12) . . ?
S3 Au2 Au3 89.16(11) . . ?
S2 Au2 Au1 75.28(12) . . ?
S3 Au2 Au1 113.27(12) . . ?
Au3 Au2 Au1 121.96(3) . . ?
P1 Au1 S1 172.76(15) . . ?
P1 Au1 Au2 105.37(10) . . ?
S1 Au1 Au2 81.81(11) . . ?
C28 P1 C16 110.3(7) . . ?
C28 P1 C34 106.2(7) . . ?
C16 P1 C34 101.0(7) . . ?
C28 P1 Au1 108.6(5) . . ?
C16 P1 Au1 113.2(5) . . ?
C34 P1 Au1 117.1(5) . . ?
C12 P2 C6 103.6(7) . . ?
C12 P2 C13 104.3(7) . . ?
C6 P2 C13 107.2(6) . . ?
C12 P2 Au4 118.3(5) . . ?
C6 P2 Au4 113.1(5) . . ?
C13 P2 Au4 109.5(5) . . ?
C40 S6 Au4 106.1(6) . . ?
C49 S7 Au5 88.7(5) . . ?
C44 S3 Au2 110.3(6) . . ?
C35 N1 C36 120.7(15) . . ?
C35 N1 C38 123.1(15) . . ?
C36 N1 C38 116.1(15) . . ?
N3 C40 S5 119.7(13) . . ?
N3 C40 S6 115.6(13) . . ?
S5 C40 S6 124.5(10) . . ?
C40 N3 C42 122.8(17) . . ?
C40 N3 C41 124.7(16) . . ?
C42 N3 C41 112.6(17) . . ?
N1 C35 S1 118.3(13) . . ?
N1 C35 S2 117.3(14) . . ?
S1 C35 S2 124.4(11) . . ?
C37 C36 N1 113.4(18) . . ?
N3 C42 C43 113.3(17) . . ?
C39 C38 N1 109.8(17) . . ?
F2 Sb6 F5 92.7(7) . . ?
F2 Sb6 F3 91.2(7) . . ?
F5 Sb6 F3 91.5(7) . . ?
F2 Sb6 F1 88.6(7) . . ?
F5 Sb6 F1 178.0(7) . . ?
F3 Sb6 F1 89.9(6) . . ?
F2 Sb6 F6 87.9(7) . . ?
F5 Sb6 F6 89.2(7) . . ?
F3 Sb6 F6 178.9(6) . . ?
F1 Sb6 F6 89.4(6) . . ?
F2 Sb6 F4 175.4(7) . . ?
F5 Sb6 F4 91.9(7) . . ?
F3 Sb6 F4 88.9(6) . . ?
F1 Sb6 F4 86.8(6) . . ?
F6 Sb6 F4 92.0(7) . . ?
F7 Sb7 F7 180.0(19) . 2 ?
F7 Sb7 F9 92.4(9) . . ?
F7 Sb7 F9 87.6(9) 2 . ?
F7 Sb7 F9 87.6(9) . 2 ?
F7 Sb7 F9 92.4(9) 2 2 ?
F9 Sb7 F9 180.0(12) . 2 ?
F7 Sb7 F8 90.7(9) . . ?
F7 Sb7 F8 89.3(9) 2 . ?
F9 Sb7 F8 89.6(7) . . ?
F9 Sb7 F8 90.4(7) 2 . ?
F7 Sb7 F8 89.3(9) . 2 ?
F7 Sb7 F8 90.7(9) 2 2 ?
F9 Sb7 F8 90.4(7) . 2 ?
F9 Sb7 F8 89.6(7) 2 2 ?
F8 Sb7 F8 180.0(11) . 2 ?
C35 S1 Au1 100.2(6) . . ?
C44 S4 Au3 111.8(6) . . ?
C40 S5 Au3 109.0(6) . . ?
C35 S2 Au2 108.3(6) . . ?
C19 C18 C13 124.9(13) . . ?
C19 C18 C17 117.2(12) . . ?
C13 C18 C17 117.8(13) . . ?
C29 C34 C33 122.0(15) . . ?
C29 C34 P1 119.1(12) . . ?
C33 C34 P1 118.7(12) . . ?
C19 C20 C21 120.8(16) . . ?
C16 C15 C14 121.0(14) . . ?
C22 C17 C16 125.1(13) . . ?
C22 C17 C18 116.2(13) . . ?
C16 C17 C18 118.6(12) . . ?
C44 N2 C45 124.4(14) . . ?
C44 N2 C47 120.4(13) . . ?
C45 N2 C47 115.0(14) . . ?
C20 C19 C18 122.3(15) . . ?
C14 C13 C18 122.8(14) . . ?
C14 C13 P2 119.5(11) . . ?
C18 C13 P2 117.4(11) . . ?
C15 C16 C17 120.0(13) . . ?
C15 C16 P1 119.3(12) . . ?
C17 C16 P1 120.7(11) . . ?
C13 C14 C15 119.6(14) . . ?
C21 C22 C17 124.4(15) . . ?
C24 C23 C28 122.2(17) . . ?
N2 C47 C48 108.5(14) . . ?
C27 C28 C23 115.7(16) . . ?
C27 C28 P1 124.5(13) . . ?
C23 C28 P1 119.7(13) . . ?
C22 C21 C20 119.1(15) . . ?
C34 C29 C30 121.5(18) . . ?
C32 C33 C34 116.8(17) . . ?
N2 C44 S3 119.3(12) . . ?
N2 C44 S4 114.2(11) . . ?
S3 C44 S4 126.4(10) . . ?
C26 C25 C24 123(2) . . ?
C31 C30 C29 114(2) . . ?
C33 C32 C31 121(2) . . ?
C28 C27 C26 123.2(18) . . ?
C49 N4 C50 121.5(14) . . ?
C49 N4 C52 120.6(13) . . ?
C50 N4 C52 117.9(13) . . ?
N4 C49 S7 126.3(12) . . ?
N4 C49 S8 125.0(12) . . ?
S7 C49 S8 108.6(8) . . ?
C1 C6 C5 121.4(14) . . ?
C1 C6 P2 117.1(11) . . ?
C5 C6 P2 121.4(12) . . ?
C6 C5 C4 116.9(16) . . ?
N4 C50 C51 112.1(15) . . ?
N4 C52 C53 116.1(15) . . ?
C6 C1 C2 119.9(17) . . ?
C1 C2 C3 117.7(19) . . ?
C4 C3 C2 120.9(19) . . ?
N2 C45 C46 110.9(15) . . ?
C32 C31 C30 125(2) . . ?
C3 C4 C5 122.7(18) . . ?
C7 C12 C11 118.0(16) . . ?
C7 C12 P2 121.6(13) . . ?
C11 C12 P2 120.4(12) . . ?
C10 C11 C12 123.2(16) . . ?
C12 C7 C8 119.8(19) . . ?
C7 C8 C9 120(2) . . ?
C25 C26 C27 119(2) . . ?
C25 C24 C23 116.3(19) . . ?
C49 S8 Au5 87.6(5) . . ?
C11 C10 C9 119.5(18) . . ?
C10 C9 C8 119(2) . . ?
C55 C41 N3 109.8(18) . . ?
Cl2 C01 Cl1 114.1(18) . . ?

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
P2 Au4 Au3 S5 130.99(16) . . . . ?
S6 Au4 Au3 S5 -44.28(16) . . . . ?
P2 Au4 Au3 S4 -48.72(16) . . . . ?
S6 Au4 Au3 S4 136.01(16) . . . . ?
P2 Au4 Au3 Au2 44.70(15) . . . . ?
S6 Au4 Au3 Au2 -130.57(15) . . . . ?
S5 Au3 Au2 S2 -18.38(17) . . . . ?
S4 Au3 Au2 S2 160.41(16) . . . . ?
Au4 Au3 Au2 S2 65.87(16) . . . . ?
S5 Au3 Au2 S3 149.00(17) . . . . ?
S4 Au3 Au2 S3 -32.21(16) . . . . ?
Au4 Au3 Au2 S3 -126.75(16) . . . . ?
S5 Au3 Au2 Au1 -93.83(13) . . . . ?
S4 Au3 Au2 Au1 84.96(12) . . . . ?
Au4 Au3 Au2 Au1 -9.58(12) . . . . ?
S2 Au2 Au1 P1 -124.96(16) . . . . ?
S3 Au2 Au1 P1 65.59(16) . . . . ?
Au3 Au2 Au1 P1 -38.86(11) . . . . ?
S2 Au2 Au1 S1 56.00(16) . . . . ?
S3 Au2 Au1 S1 -113.45(16) . . . . ?
Au3 Au2 Au1 S1 142.10(11) . . . . ?
S1 Au1 P1 C28 86.4(13) . . . . ?
Au2 Au1 P1 C28 -86.1(6) . . . . ?
S1 Au1 P1 C16 -150.7(12) . . . . ?
Au2 Au1 P1 C16 36.8(5) . . . . ?
S1 Au1 P1 C34 -33.8(14) . . . . ?
Au2 Au1 P1 C34 153.8(5) . . . . ?
S6 Au4 P2 C12 -117.0(11) . . . . ?
Au3 Au4 P2 C12 96.9(6) . . . . ?
S6 Au4 P2 C6 4.4(12) . . . . ?
Au3 Au4 P2 C6 -141.7(5) . . . . ?
S6 Au4 P2 C13 123.8(10) . . . . ?
Au3 Au4 P2 C13 -22.3(5) . . . . ?
P2 Au4 S6 C40 -110.4(11) . . . . ?
Au3 Au4 S6 C40 36.2(5) . . . . ?
S7 Au5 S7 C49 89(100) 2_666 . . . ?
S8 Au5 S7 C49 -0.2(5) . . . . ?
S8 Au5 S7 C49 179.8(5) 2_666 . . . ?
S2 Au2 S3 C44 136.7(8) . . . . ?
Au3 Au2 S3 C44 30.2(6) . . . . ?
Au1 Au2 S3 C44 -94.5(6) . . . . ?
Au4 S6 C40 N3 167.0(11) . . . . ?
Au4 S6 C40 S5 -10.1(11) . . . . ?
S5 C40 N3 C42 -10(2) . . . . ?
S6 C40 N3 C42 172.9(14) . . . . ?
S5 C40 N3 C41 172.4(14) . . . . ?
S6 C40 N3 C41 -5(2) . . . . ?
C36 N1 C35 S1 -173.9(13) . . . . ?
C38 N1 C35 S1 11(2) . . . . ?
C36 N1 C35 S2 8(2) . . . . ?
C38 N1 C35 S2 -167.2(12) . . . . ?
C35 N1 C36 C37 -86(2) . . . . ?
C38 N1 C36 C37 89(2) . . . . ?
C40 N3 C42 C43 90(2) . . . . ?
C41 N3 C42 C43 -92(2) . . . . ?
C35 N1 C38 C39 -100(2) . . . . ?
C36 N1 C38 C39 85(2) . . . . ?
N1 C35 S1 Au1 -149.9(13) . . . . ?
S2 C35 S1 Au1 28.3(12) . . . . ?
P1 Au1 S1 C35 136.0(13) . . . . ?
Au2 Au1 S1 C35 -51.4(6) . . . . ?
S5 Au3 S4 C44 -170(3) . . . . ?
Au2 Au3 S4 C44 31.5(6) . . . . ?
Au4 Au3 S4 C44 -165.3(6) . . . . ?
N3 C40 S5 Au3 147.7(12) . . . . ?
S6 C40 S5 Au3 -35.3(11) . . . . ?
S4 Au3 S5 C40 53(3) . . . . ?
Au2 Au3 S5 C40 -148.6(6) . . . . ?
Au4 Au3 S5 C40 48.2(6) . . . . ?
N1 C35 S2 Au2 -152.1(12) . . . . ?
S1 C35 S2 Au2 29.6(13) . . . . ?
S3 Au2 S2 C35 79.7(10) . . . . ?
Au3 Au2 S2 C35 -174.4(6) . . . . ?
Au1 Au2 S2 C35 -52.5(6) . . . . ?
C28 P1 C34 C29 56.9(15) . . . . ?
C16 P1 C34 C29 -58.2(15) . . . . ?
Au1 P1 C34 C29 178.3(11) . . . . ?
C28 P1 C34 C33 -128.2(13) . . . . ?
C16 P1 C34 C33 116.7(13) . . . . ?
Au1 P1 C34 C33 -6.7(15) . . . . ?
C19 C18 C17 C22 -1.9(19) . . . . ?
C13 C18 C17 C22 179.7(13) . . . . ?
C19 C18 C17 C16 -178.7(13) . . . . ?
C13 C18 C17 C16 2.8(19) . . . . ?
C21 C20 C19 C18 1(2) . . . . ?
C13 C18 C19 C20 178.6(14) . . . . ?
C17 C18 C19 C20 0(2) . . . . ?
C19 C18 C13 C14 176.0(14) . . . . ?
C17 C18 C13 C14 -6(2) . . . . ?
C19 C18 C13 P2 -11.4(19) . . . . ?
C17 C18 C13 P2 167.0(10) . . . . ?
C12 P2 C13 C14 -4.1(14) . . . . ?
C6 P2 C13 C14 -113.5(12) . . . . ?
Au4 P2 C13 C14 123.4(11) . . . . ?
C12 P2 C13 C18 -176.9(11) . . . . ?
C6 P2 C13 C18 73.6(12) . . . . ?
Au4 P2 C13 C18 -49.4(12) . . . . ?
C14 C15 C16 C17 -4(2) . . . . ?
C14 C15 C16 P1 173.5(10) . . . . ?
C22 C17 C16 C15 -174.8(14) . . . . ?
C18 C17 C16 C15 2(2) . . . . ?
C22 C17 C16 P1 8(2) . . . . ?
C18 C17 C16 P1 -175.6(10) . . . . ?
C28 P1 C16 C15 -12.2(14) . . . . ?
C34 P1 C16 C15 99.8(12) . . . . ?
Au1 P1 C16 C15 -134.1(11) . . . . ?
C28 P1 C16 C17 165.2(11) . . . . ?
C34 P1 C16 C17 -82.8(13) . . . . ?
Au1 P1 C16 C17 43.3(13) . . . . ?
C18 C13 C14 C15 4(2) . . . . ?
P2 C13 C14 C15 -168.9(10) . . . . ?
C16 C15 C14 C13 1(2) . . . . ?
C16 C17 C22 C21 179.1(15) . . . . ?
C18 C17 C22 C21 2(2) . . . . ?
C44 N2 C47 C48 100.7(18) . . . . ?
C45 N2 C47 C48 -84.4(18) . . . . ?
C24 C23 C28 C27 2(2) . . . . ?
C24 C23 C28 P1 -174.1(13) . . . . ?
C16 P1 C28 C27 130.2(15) . . . . ?
C34 P1 C28 C27 21.6(17) . . . . ?
Au1 P1 C28 C27 -105.2(15) . . . . ?
C16 P1 C28 C23 -53.9(14) . . . . ?
C34 P1 C28 C23 -162.5(12) . . . . ?
Au1 P1 C28 C23 70.8(13) . . . . ?
C17 C22 C21 C20 -1(2) . . . . ?
C19 C20 C21 C22 -1(2) . . . . ?
C33 C34 C29 C30 4(3) . . . . ?
P1 C34 C29 C30 178.7(14) . . . . ?
C29 C34 C33 C32 -1(3) . . . . ?
P1 C34 C33 C32 -175.6(13) . . . . ?
C45 N2 C44 S3 175.5(13) . . . . ?
C47 N2 C44 S3 -10(2) . . . . ?
C45 N2 C44 S4 -2(2) . . . . ?
C47 N2 C44 S4 171.9(11) . . . . ?
Au2 S3 C44 N2 167.3(11) . . . . ?
Au2 S3 C44 S4 -15.0(13) . . . . ?
Au3 S4 C44 N2 159.5(10) . . . . ?
Au3 S4 C44 S3 -18.3(13) . . . . ?
C34 C29 C30 C31 -4(3) . . . . ?
C34 C33 C32 C31 -2(3) . . . . ?
C23 C28 C27 C26 -6(3) . . . . ?
P1 C28 C27 C26 170.6(14) . . . . ?
C50 N4 C49 S7 2(2) . . . . ?
C52 N4 C49 S7 180.0(11) . . . . ?
C50 N4 C49 S8 178.5(11) . . . . ?
C52 N4 C49 S8 -4(2) . . . . ?
Au5 S7 C49 N4 177.0(14) . . . . ?
Au5 S7 C49 S8 0.3(7) . . . . ?
C12 P2 C6 C1 86.7(14) . . . . ?
C13 P2 C6 C1 -163.4(12) . . . . ?
Au4 P2 C6 C1 -42.6(14) . . . . ?
C12 P2 C6 C5 -93.6(14) . . . . ?
C13 P2 C6 C5 16.4(15) . . . . ?
Au4 P2 C6 C5 137.1(12) . . . . ?
C1 C6 C5 C4 -1(2) . . . . ?
P2 C6 C5 C4 179.3(12) . . . . ?
C49 N4 C50 C51 -91.2(19) . . . . ?
C52 N4 C50 C51 91.1(18) . . . . ?
C49 N4 C52 C53 -96.9(19) . . . . ?
C50 N4 C52 C53 80.9(19) . . . . ?
C5 C6 C1 C2 7(3) . . . . ?
P2 C6 C1 C2 -173.7(14) . . . . ?
C6 C1 C2 C3 -6(3) . . . . ?
C1 C2 C3 C4 0(3) . . . . ?
C44 N2 C45 C46 89(2) . . . . ?
C47 N2 C45 C46 -86.1(18) . . . . ?
C33 C32 C31 C30 2(3) . . . . ?
C29 C30 C31 C32 1(3) . . . . ?
C2 C3 C4 C5 6(3) . . . . ?
C6 C5 C4 C3 -5(3) . . . . ?
C6 P2 C12 C7 22.0(16) . . . . ?
C13 P2 C12 C7 -90.0(15) . . . . ?
Au4 P2 C12 C7 148.1(13) . . . . ?
C6 P2 C12 C11 -157.3(13) . . . . ?
C13 P2 C12 C11 90.7(14) . . . . ?
Au4 P2 C12 C11 -31.2(15) . . . . ?
C7 C12 C11 C10 3(3) . . . . ?
P2 C12 C11 C10 -177.3(13) . . . . ?
C11 C12 C7 C8 -7(3) . . . . ?
P2 C12 C7 C8 174.1(15) . . . . ?
C12 C7 C8 C9 5(3) . . . . ?
C24 C25 C26 C27 0(3) . . . . ?
C28 C27 C26 C25 5(3) . . . . ?
C26 C25 C24 C23 -3(3) . . . . ?
C28 C23 C24 C25 2(3) . . . . ?
N4 C49 S8 Au5 -177.1(13) . . . . ?
S7 C49 S8 Au5 -0.3(7) . . . . ?
S7 Au5 S8 C49 -179.8(5) 2_666 . . . ?
S7 Au5 S8 C49 0.2(5) . . . . ?
S8 Au5 S8 C49 -85(100) 2_666 . . . ?
C12 C11 C10 C9 2(3) . . . . ?
C11 C10 C9 C8 -4(3) . . . . ?
C7 C8 C9 C10 0(3) . . . . ?
C40 N3 C41 C55 93(2) . . . . ?
C42 N3 C41 C55 -85(2) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.339
_refine_diff_density_min         -2.934
_refine_diff_density_rms         0.381



####################################################################### 
# 
# 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_5
_database_code_depnum_ccdc_archive 'CCDC 936710'
_audit_update_record             
;
2015-03-26 deposited with the CCDC.
2015-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H60 Au4 Cl2 F6 N3 O P2 S6 Sb'
_chemical_formula_weight         2115.87

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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pbcn

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y+1/2, z+1/2'
'-x, y, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y-1/2, -z-1/2'
'x, -y, z-1/2'
'-x-1/2, y-1/2, z'

_cell_length_a                   15.586(4)
_cell_length_b                   27.054(6)
_cell_length_c                   33.449(8)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     14104(6)
_cell_formula_units_Z            8
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    40116
_cell_measurement_theta_min      2.0819
_cell_measurement_theta_max      27.5049

_exptl_crystal_description       Block
_exptl_crystal_colour            Red
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.2
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.993
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             7952
_exptl_absorpt_coefficient_mu    9.021
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.0635
_exptl_absorpt_correction_T_max  0.165
_exptl_absorpt_process_details   
;
RIGAKU/MSC(2004), CrystalClear Version 1.3.6,  
  Rigaku/MSC, 9009 New Trails Drive, The Woodlands, TX77381-5209, USA
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            91061
_diffrn_reflns_av_R_equivalents  0.1031
_diffrn_reflns_av_unetI/netI     0.0483
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_theta_min         2.08
_diffrn_reflns_theta_max         25.00
_reflns_number_total             12263
_reflns_number_gt                10715
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker XSCANS'
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0853P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12263
_refine_ls_number_parameters     770
_refine_ls_number_restraints     207
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0509
_refine_ls_wR_factor_ref         0.1522
_refine_ls_wR_factor_gt          0.1450
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_restrained_S_all      1.595
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.42816(3) 0.289904(19) 0.528611(15) 0.05386(19) Uani 1 1 d . . .
Au2 Au 0.61951(4) 0.26607(2) 0.529440(16) 0.0598(2) Uani 1 1 d . . .
Au3 Au 0.72645(3) 0.35338(2) 0.543461(17) 0.05757(19) Uani 1 1 d . . .
Au4 Au 0.80613(3) 0.45384(2) 0.548411(17) 0.05585(19) Uani 1 1 d . . .
S1 S 0.4308(2) 0.22825(13) 0.48013(11) 0.0602(9) Uani 1 1 d . . .
S2 S 0.5998(3) 0.28175(16) 0.46264(12) 0.0696(10) Uani 1 1 d . . .
S3 S 0.6519(3) 0.23667(13) 0.59184(12) 0.0677(10) Uani 1 1 d . . .
S4 S 0.6850(3) 0.34620(13) 0.60892(11) 0.0647(9) Uani 1 1 d . . .
S5 S 0.7606(3) 0.36259(18) 0.47745(12) 0.0772(11) Uani 1 1 d . . .
S6 S 0.9116(2) 0.42548(16) 0.50563(14) 0.0754(11) Uani 1 1 d . . .
P1 P 0.3913(2) 0.34866(12) 0.57455(10) 0.0500(8) Uani 1 1 d . . .
P2 P 0.7177(2) 0.49352(12) 0.59216(10) 0.0487(7) Uani 1 1 d . . .
N1 N 0.5071(7) 0.2357(4) 0.4094(3) 0.061(3) Uani 1 1 d . . .
N2 N 0.6866(8) 0.2744(4) 0.6623(3) 0.064(3) Uani 1 1 d . . .
N3 N 0.9105(11) 0.3683(7) 0.4418(5) 0.108(5) Uani 1 1 d DU . .
C1 C 0.5111(9) 0.2475(5) 0.4475(4) 0.052(3) Uani 1 1 d . . .
C2 C 0.4315(10) 0.2084(7) 0.3923(5) 0.085(5) Uani 1 1 d . . .
H2A H 0.4221 0.2196 0.3650 0.102 Uiso 1 1 calc R . .
H2B H 0.3808 0.2167 0.4077 0.102 Uiso 1 1 calc R . .
C3 C 0.4427(12) 0.1532(5) 0.3922(6) 0.089(5) Uani 1 1 d . . .
H3A H 0.3923 0.1379 0.3813 0.133 Uiso 1 1 calc R . .
H3B H 0.4515 0.1418 0.4191 0.133 Uiso 1 1 calc R . .
H3C H 0.4916 0.1446 0.3761 0.133 Uiso 1 1 calc R . .
C4 C 0.5802(10) 0.2425(6) 0.3811(5) 0.075(4) Uani 1 1 d . . .
H4A H 0.5779 0.2173 0.3604 0.090 Uiso 1 1 calc R . .
H4B H 0.6340 0.2388 0.3954 0.090 Uiso 1 1 calc R . .
C5 C 0.5762(13) 0.2941(7) 0.3617(5) 0.102(6) Uani 1 1 d . . .
H5A H 0.6230 0.2978 0.3433 0.153 Uiso 1 1 calc R . .
H5B H 0.5803 0.3190 0.3821 0.153 Uiso 1 1 calc R . .
H5C H 0.5229 0.2977 0.3477 0.153 Uiso 1 1 calc R . .
C6 C 0.6755(8) 0.2850(5) 0.6233(4) 0.055(3) Uani 1 1 d . . .
C7 C 0.6717(11) 0.2241(6) 0.6789(5) 0.076(4) Uani 1 1 d . . .
H7A H 0.6477 0.2271 0.7055 0.091 Uiso 1 1 calc R . .
H7B H 0.6302 0.2070 0.6623 0.091 Uiso 1 1 calc R . .
C8 C 0.7519(13) 0.1946(7) 0.6808(6) 0.107(6) Uani 1 1 d . . .
H8A H 0.7395 0.1627 0.6919 0.160 Uiso 1 1 calc R . .
H8B H 0.7929 0.2113 0.6975 0.160 Uiso 1 1 calc R . .
H8C H 0.7750 0.1908 0.6544 0.160 Uiso 1 1 calc R . .
C9 C 0.7141(12) 0.3116(6) 0.6914(5) 0.085(5) Uani 1 1 d . . .
H9A H 0.7503 0.3358 0.6782 0.102 Uiso 1 1 calc R . .
H9B H 0.7477 0.2958 0.7121 0.102 Uiso 1 1 calc R . .
C10 C 0.6381(17) 0.3375(8) 0.7101(7) 0.129(8) Uani 1 1 d . . .
H10A H 0.6581 0.3617 0.7289 0.193 Uiso 1 1 calc R . .
H10B H 0.6028 0.3137 0.7237 0.193 Uiso 1 1 calc R . .
H10C H 0.6051 0.3536 0.6896 0.193 Uiso 1 1 calc R . .
C11 C 0.8638(10) 0.3841(6) 0.4730(4) 0.066(4) Uani 1 1 d . . .
C12 C 0.8805(15) 0.3279(8) 0.4158(6) 0.116(7) Uani 1 1 d . . .
H12A H 0.8459 0.3048 0.4310 0.139 Uiso 1 1 calc R . .
H12B H 0.9290 0.3102 0.4046 0.139 Uiso 1 1 calc R . .
C13 C 0.8266(18) 0.3514(10) 0.3822(7) 0.151(10) Uani 1 1 d . . .
H13A H 0.7939 0.3261 0.3689 0.227 Uiso 1 1 calc R . .
H13B H 0.8640 0.3671 0.3632 0.227 Uiso 1 1 calc R . .
H13C H 0.7883 0.3755 0.3934 0.227 Uiso 1 1 calc R . .
C14 C 1.0031(14) 0.3850(9) 0.4373(7) 0.126(6) Uani 1 1 d DU . .
H14A H 1.0236 0.3985 0.4625 0.151 Uiso 1 1 calc R . .
H14B H 1.0390 0.3570 0.4303 0.151 Uiso 1 1 calc R . .
C15 C 1.0081(18) 0.4241(11) 0.4049(9) 0.191(10) Uani 1 1 d DU . .
H15A H 1.0666 0.4346 0.4017 0.287 Uiso 1 1 calc R . .
H15B H 0.9734 0.4520 0.4123 0.287 Uiso 1 1 calc R . .
H15C H 0.9876 0.4106 0.3802 0.287 Uiso 1 1 calc R . .
C16 C 0.4680(7) 0.3998(4) 0.5817(4) 0.048(3) Uani 1 1 d . . .
C17 C 0.4865(8) 0.4210(5) 0.6196(4) 0.053(3) Uani 1 1 d . . .
C18 C 0.4333(10) 0.4169(6) 0.6534(5) 0.077(5) Uani 1 1 d . . .
H18A H 0.3807 0.4011 0.6504 0.092 Uiso 1 1 calc R . .
C19 C 0.4534(12) 0.4344(7) 0.6900(5) 0.102(7) Uani 1 1 d . . .
H19A H 0.4190 0.4271 0.7119 0.122 Uiso 1 1 calc R . .
C20 C 0.5270(11) 0.4638(6) 0.6945(5) 0.083(5) Uani 1 1 d . . .
H20A H 0.5414 0.4768 0.7194 0.100 Uiso 1 1 calc R . .
C21 C 0.5751(9) 0.4728(5) 0.6633(4) 0.067(4) Uani 1 1 d . . .
H21A H 0.6217 0.4939 0.6666 0.080 Uiso 1 1 calc R . .
C22 C 0.5606(7) 0.4524(5) 0.6245(4) 0.050(3) Uani 1 1 d . . .
C23 C 0.6103(7) 0.4652(4) 0.5910(4) 0.045(3) Uani 1 1 d . . .
C24 C 0.5808(7) 0.4528(4) 0.5519(4) 0.045(3) Uani 1 1 d . . .
C25 C 0.6173(8) 0.4739(5) 0.5166(4) 0.053(3) Uani 1 1 d . . .
H25A H 0.6585 0.4987 0.5189 0.063 Uiso 1 1 calc R . .
C26 C 0.5928(9) 0.4583(5) 0.4799(4) 0.059(3) Uani 1 1 d . . .
H26A H 0.6186 0.4718 0.4573 0.071 Uiso 1 1 calc R . .
C27 C 0.5296(9) 0.4226(5) 0.4754(4) 0.060(3) Uani 1 1 d . . .
H27A H 0.5154 0.4113 0.4500 0.072 Uiso 1 1 calc R . .
C28 C 0.4884(8) 0.4039(5) 0.5078(4) 0.057(3) Uani 1 1 d . . .
H28A H 0.4441 0.3814 0.5039 0.068 Uiso 1 1 calc R . .
C29 C 0.5108(7) 0.4175(4) 0.5477(4) 0.044(3) Uani 1 1 d . . .
C30 C 0.2904(8) 0.3786(5) 0.5615(4) 0.055(3) Uani 1 1 d . . .
C31 C 0.2215(9) 0.3506(6) 0.5497(5) 0.070(4) Uani 1 1 d . . .
H31A H 0.2256 0.3164 0.5478 0.084 Uiso 1 1 calc R . .
C32 C 0.1428(10) 0.3756(9) 0.5406(5) 0.088(5) Uani 1 1 d . . .
H32A H 0.0954 0.3573 0.5325 0.105 Uiso 1 1 calc R . .
C33 C 0.1365(13) 0.4247(9) 0.5435(6) 0.101(6) Uani 1 1 d . . .
H33A H 0.0847 0.4404 0.5381 0.121 Uiso 1 1 calc R . .
C34 C 0.2062(11) 0.4515(7) 0.5543(6) 0.091(6) Uani 1 1 d . . .
H34A H 0.2020 0.4858 0.5553 0.109 Uiso 1 1 calc R . .
C35 C 0.2823(9) 0.4295(6) 0.5638(5) 0.076(4) Uani 1 1 d . . .
H35A H 0.3288 0.4487 0.5718 0.091 Uiso 1 1 calc R . .
C36 C 0.3725(8) 0.3152(5) 0.6211(4) 0.054(3) Uani 1 1 d . . .
C37 C 0.2943(8) 0.3157(5) 0.6410(4) 0.062(3) Uani 1 1 d . . .
H37A H 0.2493 0.3345 0.6310 0.074 Uiso 1 1 calc R . .
C38 C 0.2827(11) 0.2887(6) 0.6755(5) 0.077(4) Uani 1 1 d . . .
H38A H 0.2299 0.2885 0.6884 0.093 Uiso 1 1 calc R . .
C39 C 0.3518(13) 0.2616(7) 0.6908(5) 0.090(5) Uani 1 1 d . . .
H39A H 0.3450 0.2431 0.7140 0.108 Uiso 1 1 calc R . .
C40 C 0.4295(11) 0.2622(7) 0.6716(5) 0.082(5) Uani 1 1 d . . .
H40A H 0.4752 0.2446 0.6824 0.099 Uiso 1 1 calc R . .
C41 C 0.4412(10) 0.2886(6) 0.6366(5) 0.071(4) Uani 1 1 d . . .
H41A H 0.4940 0.2885 0.6237 0.085 Uiso 1 1 calc R . .
C42 C 0.7687(9) 0.4930(5) 0.6412(4) 0.068(3) Uani 1 1 d U . .
C43 C 0.7919(12) 0.4489(6) 0.6576(6) 0.091(4) Uani 1 1 d U . .
H43A H 0.7817 0.4196 0.6438 0.109 Uiso 1 1 calc R . .
C44 C 0.8306(14) 0.4479(7) 0.6944(6) 0.110(5) Uani 1 1 d U . .
H44A H 0.8446 0.4177 0.7060 0.132 Uiso 1 1 calc R . .
C45 C 0.8486(16) 0.4911(8) 0.7143(7) 0.121(5) Uani 1 1 d U . .
H45A H 0.8761 0.4898 0.7390 0.145 Uiso 1 1 calc R . .
C46 C 0.8274(14) 0.5347(8) 0.6988(6) 0.111(5) Uani 1 1 d U . .
H46A H 0.8412 0.5638 0.7122 0.134 Uiso 1 1 calc R . .
C47 C 0.7848(12) 0.5365(7) 0.6626(5) 0.091(4) Uani 1 1 d U . .
H47A H 0.7668 0.5667 0.6523 0.109 Uiso 1 1 calc R . .
C48 C 0.6983(8) 0.5582(5) 0.5822(4) 0.056(3) Uani 1 1 d . . .
C49 C 0.6302(9) 0.5822(5) 0.6017(5) 0.072(4) Uani 1 1 d . . .
H49A H 0.5936 0.5649 0.6186 0.087 Uiso 1 1 calc R . .
C50 C 0.6188(12) 0.6332(7) 0.5951(7) 0.096(6) Uani 1 1 d . . .
H50A H 0.5749 0.6499 0.6082 0.116 Uiso 1 1 calc R . .
C51 C 0.6717(17) 0.6585(7) 0.5693(7) 0.102(7) Uani 1 1 d . . .
H51A H 0.6630 0.6920 0.5648 0.122 Uiso 1 1 calc R . .
C52 C 0.7362(17) 0.6346(8) 0.5506(6) 0.101(7) Uani 1 1 d . . .
H52A H 0.7706 0.6524 0.5330 0.121 Uiso 1 1 calc R . .
C53 C 0.7536(12) 0.5844(6) 0.5563(5) 0.074(4) Uani 1 1 d . . .
H53A H 0.7996 0.5690 0.5437 0.089 Uiso 1 1 calc R . .
Sb1 Sb 0.5000 0.13688(6) 0.7500 0.0944(6) Uani 1 2 d S . .
F1 F 0.5178(11) 0.1386(5) 0.6944(4) 0.159(6) Uani 1 1 d . . .
F2 F 0.5000 0.2062(5) 0.7500 0.099(4) Uani 1 2 d S . .
F3 F 0.3812(10) 0.1381(5) 0.7437(6) 0.167(6) Uani 1 1 d . . .
F4 F 0.5000 0.0683(6) 0.7500 0.199(13) Uani 1 2 d S . .
Sb2 Sb 0.0000 0.30378(8) 0.7500 0.0978(6) Uani 1 2 d SDU . .
F5 F 0.0942(11) 0.3024(6) 0.7166(6) 0.197(8) Uani 0.739(15) 1 d PDU A 1
F6 F -0.0497(12) 0.2549(4) 0.7190(5) 0.31(2) Uani 0.739(15) 1 d PDU A 1
F7 F -0.0507(12) 0.3517(5) 0.7190(5) 0.43(3) Uani 0.739(15) 1 d PDU A 1
F5' F 0.0702(18) 0.3531(5) 0.7264(11) 0.193(8) Uani 0.261(15) 1 d PDU A 2
F6' F 0.0701(18) 0.2552(5) 0.7269(11) 0.192(8) Uani 0.261(15) 1 d PDU A 2
F7' F 0.064(3) 0.3090(8) 0.7917(10) 0.156(11) Uani 0.261(15) 1 d PDU A 2
C01 C 0.201(3) 0.0342(14) 0.6625(14) 0.32(6) Uani 0.432(10) 1 d PDU B 1
H01A H 0.2563 0.0307 0.6500 0.388 Uiso 0.432(10) 1 calc PR B 1
H01B H 0.1828 0.0025 0.6733 0.388 Uiso 0.432(10) 1 calc PR B 1
Cl01 Cl 0.202(2) 0.0802(15) 0.6996(11) 0.325(19) Uani 0.432(10) 1 d PDU B 1
Cl02 Cl 0.1243(12) 0.0575(7) 0.6288(5) 0.149(7) Uani 0.432(10) 1 d PDU B 1
C02 C 0.108(4) 0.4815(13) 0.6705(13) 0.25(4) Uani 0.568(10) 1 d PDU B 2
H02A H 0.0858 0.4922 0.6961 0.300 Uiso 0.568(10) 1 calc PR B 2
H02B H 0.1465 0.5068 0.6601 0.300 Uiso 0.568(10) 1 calc PR B 2
Cl04 Cl 0.1612(17) 0.4244(9) 0.6747(7) 0.263(11) Uani 0.568(10) 1 d PDU B 2
Cl03 Cl 0.026(2) 0.4687(12) 0.6369(11) 0.369(18) Uani 0.568(10) 1 d PDU B 2
O01 O 0.5590(14) 0.6052(8) 0.7162(7) 0.184(8) Uani 1 1 d U . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 P1 2.284(3) . ?
Au1 S1 2.327(4) . ?
Au1 Au2 3.0514(10) . ?
Au2 S3 2.290(4) . ?
Au2 S2 2.295(4) . ?
Au2 Au3 2.9288(9) . ?
Au3 S5 2.285(4) . ?
Au3 S4 2.291(4) . ?
Au3 Au4 2.9927(9) . ?
Au4 P2 2.278(3) . ?
Au4 S6 2.310(4) . ?
S1 C1 1.739(14) . ?
S2 C1 1.739(14) . ?
S3 C6 1.717(14) . ?
S4 C6 1.730(14) . ?
S5 C11 1.716(16) . ?
S6 C11 1.732(15) . ?
P1 C30 1.823(13) . ?
P1 C36 1.824(13) . ?
P1 C16 1.843(12) . ?
P2 C48 1.807(13) . ?
P2 C42 1.823(14) . ?
P2 C23 1.842(11) . ?
N1 C1 1.318(16) . ?
N1 C4 1.493(18) . ?
N1 C2 1.503(18) . ?
N2 C6 1.347(17) . ?
N2 C9 1.464(19) . ?
N2 C7 1.488(18) . ?
N3 C11 1.34(2) . ?
N3 C12 1.47(3) . ?
N3 C14 1.52(3) . ?
C2 C3 1.50(2) . ?
C4 C5 1.54(2) . ?
C7 C8 1.48(2) . ?
C9 C10 1.51(3) . ?
C12 C13 1.54(3) . ?
C14 C15 1.518(14) . ?
C16 C29 1.403(16) . ?
C16 C17 1.421(17) . ?
C17 C18 1.407(18) . ?
C17 C22 1.443(16) . ?
C18 C19 1.35(2) . ?
C19 C20 1.40(2) . ?
C20 C21 1.31(2) . ?
C21 C22 1.429(18) . ?
C22 C23 1.405(17) . ?
C23 C24 1.425(16) . ?
C24 C25 1.431(17) . ?
C24 C29 1.458(16) . ?
C25 C26 1.353(18) . ?
C26 C27 1.388(19) . ?
C27 C28 1.357(18) . ?
C28 C29 1.428(17) . ?
C30 C31 1.371(18) . ?
C30 C35 1.39(2) . ?
C31 C32 1.43(2) . ?
C32 C33 1.34(3) . ?
C33 C34 1.35(3) . ?
C34 C35 1.37(2) . ?
C36 C37 1.390(17) . ?
C36 C41 1.39(2) . ?
C37 C38 1.38(2) . ?
C38 C39 1.40(2) . ?
C39 C40 1.37(2) . ?
C40 C41 1.38(2) . ?
C42 C43 1.36(2) . ?
C42 C47 1.40(2) . ?
C43 C44 1.37(2) . ?
C44 C45 1.37(3) . ?
C45 C46 1.33(3) . ?
C46 C47 1.38(2) . ?
C48 C49 1.406(19) . ?
C48 C53 1.41(2) . ?
C49 C50 1.41(2) . ?
C50 C51 1.38(3) . ?
C51 C52 1.35(3) . ?
C52 C53 1.40(3) . ?
Sb1 F4 1.855(18) . ?
Sb1 F3 1.864(16) 3_656 ?
Sb1 F3 1.864(16) . ?
Sb1 F2 1.875(12) . ?
Sb1 F1 1.880(13) . ?
Sb1 F1 1.880(13) 3_656 ?
Sb2 F7' 1.721(7) . ?
Sb2 F7' 1.721(6) 3_556 ?
Sb2 F7 1.838(7) 3_556 ?
Sb2 F7 1.838(7) . ?
Sb2 F5 1.845(7) 3_556 ?
Sb2 F5 1.845(7) . ?
Sb2 F6 1.851(7) . ?
Sb2 F6 1.851(7) 3_556 ?
Sb2 F6' 1.876(7) 3_556 ?
Sb2 F6' 1.876(7) . ?
Sb2 F5' 1.897(7) . ?
Sb2 F5' 1.897(7) 3_556 ?
C01 Cl02 1.754(15) . ?
C01 Cl01 1.758(15) . ?
C02 Cl03 1.741(15) . ?
C02 Cl04 1.755(15) . ?

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
P1 Au1 S1 166.47(12) . . ?
P1 Au1 Au2 112.74(8) . . ?
S1 Au1 Au2 80.64(10) . . ?
S3 Au2 S2 168.85(15) . . ?
S3 Au2 Au3 90.50(10) . . ?
S2 Au2 Au3 94.75(10) . . ?
S3 Au2 Au1 107.29(11) . . ?
S2 Au2 Au1 79.71(11) . . ?
Au3 Au2 Au1 112.78(3) . . ?
S5 Au3 S4 176.81(16) . . ?
S5 Au3 Au2 93.78(10) . . ?
S4 Au3 Au2 85.65(10) . . ?
S5 Au3 Au4 81.82(11) . . ?
S4 Au3 Au4 98.12(9) . . ?
Au2 Au3 Au4 167.82(3) . . ?
P2 Au4 S6 169.86(13) . . ?
P2 Au4 Au3 102.27(8) . . ?
S6 Au4 Au3 87.67(10) . . ?
C1 S1 Au1 103.6(4) . . ?
C1 S2 Au2 106.9(5) . . ?
C6 S3 Au2 109.9(5) . . ?
C6 S4 Au3 111.7(5) . . ?
C11 S5 Au3 109.8(5) . . ?
C11 S6 Au4 107.4(5) . . ?
C30 P1 C36 106.6(6) . . ?
C30 P1 C16 104.9(6) . . ?
C36 P1 C16 111.5(6) . . ?
C30 P1 Au1 111.4(5) . . ?
C36 P1 Au1 105.6(4) . . ?
C16 P1 Au1 116.5(4) . . ?
C48 P2 C42 104.2(7) . . ?
C48 P2 C23 104.3(6) . . ?
C42 P2 C23 114.3(6) . . ?
C48 P2 Au4 116.1(5) . . ?
C42 P2 Au4 108.2(5) . . ?
C23 P2 Au4 109.9(4) . . ?
C1 N1 C4 123.2(12) . . ?
C1 N1 C2 121.7(13) . . ?
C4 N1 C2 114.7(12) . . ?
C6 N2 C9 122.4(12) . . ?
C6 N2 C7 122.4(12) . . ?
C9 N2 C7 115.2(12) . . ?
C11 N3 C12 121.5(17) . . ?
C11 N3 C14 119.7(17) . . ?
C12 N3 C14 117.7(16) . . ?
N1 C1 S1 120.0(10) . . ?
N1 C1 S2 116.6(10) . . ?
S1 C1 S2 123.3(7) . . ?
N1 C2 C3 113.3(13) . . ?
N1 C4 C5 110.4(13) . . ?
N2 C6 S3 117.3(10) . . ?
N2 C6 S4 117.4(10) . . ?
S3 C6 S4 125.3(8) . . ?
C8 C7 N2 112.2(14) . . ?
N2 C9 C10 111.4(16) . . ?
N3 C11 S5 117.8(13) . . ?
N3 C11 S6 117.5(13) . . ?
S5 C11 S6 124.6(9) . . ?
N3 C12 C13 107.3(19) . . ?
C15 C14 N3 109.0(19) . . ?
C29 C16 C17 119.2(10) . . ?
C29 C16 P1 117.4(9) . . ?
C17 C16 P1 123.4(9) . . ?
C18 C17 C16 124.5(12) . . ?
C18 C17 C22 115.3(12) . . ?
C16 C17 C22 120.1(11) . . ?
C19 C18 C17 124.4(14) . . ?
C18 C19 C20 119.2(14) . . ?
C21 C20 C19 119.2(14) . . ?
C20 C21 C22 124.2(13) . . ?
C23 C22 C21 122.8(11) . . ?
C23 C22 C17 119.7(11) . . ?
C21 C22 C17 117.2(11) . . ?
C22 C23 C24 119.7(10) . . ?
C22 C23 P2 125.9(9) . . ?
C24 C23 P2 114.2(9) . . ?
C23 C24 C25 122.5(11) . . ?
C23 C24 C29 118.9(11) . . ?
C25 C24 C29 118.6(11) . . ?
C26 C25 C24 120.9(12) . . ?
C25 C26 C27 121.0(13) . . ?
C28 C27 C26 120.6(12) . . ?
C27 C28 C29 122.3(11) . . ?
C16 C29 C28 123.6(11) . . ?
C16 C29 C24 120.1(10) . . ?
C28 C29 C24 116.2(11) . . ?
C31 C30 C35 119.6(14) . . ?
C31 C30 P1 120.0(11) . . ?
C35 C30 P1 120.4(10) . . ?
C30 C31 C32 118.1(16) . . ?
C33 C32 C31 121.1(17) . . ?
C32 C33 C34 119.5(18) . . ?
C33 C34 C35 121.7(19) . . ?
C34 C35 C30 119.9(15) . . ?
C37 C36 C41 120.0(13) . . ?
C37 C36 P1 123.1(11) . . ?
C41 C36 P1 116.9(10) . . ?
C38 C37 C36 120.8(14) . . ?
C37 C38 C39 118.9(15) . . ?
C40 C39 C38 120.2(15) . . ?
C39 C40 C41 121.3(16) . . ?
C40 C41 C36 118.8(14) . . ?
C43 C42 C47 119.0(15) . . ?
C43 C42 P2 118.9(11) . . ?
C47 C42 P2 122.1(12) . . ?
C42 C43 C44 119.6(17) . . ?
C43 C44 C45 120.6(19) . . ?
C46 C45 C44 120.9(19) . . ?
C45 C46 C47 119.5(18) . . ?
C46 C47 C42 120.3(17) . . ?
C49 C48 C53 120.9(13) . . ?
C49 C48 P2 119.2(11) . . ?
C53 C48 P2 119.8(11) . . ?
C48 C49 C50 118.3(17) . . ?
C51 C50 C49 120.7(19) . . ?
C52 C51 C50 120(2) . . ?
C51 C52 C53 123(2) . . ?
C52 C53 C48 117.0(18) . . ?
F4 Sb1 F3 91.1(4) . 3_656 ?
F4 Sb1 F3 91.1(4) . . ?
F3 Sb1 F3 177.9(9) 3_656 . ?
F4 Sb1 F2 180.000(3) . . ?
F3 Sb1 F2 88.9(4) 3_656 . ?
F3 Sb1 F2 88.9(4) . . ?
F4 Sb1 F1 91.5(4) . . ?
F3 Sb1 F1 88.0(8) 3_656 . ?
F3 Sb1 F1 91.9(8) . . ?
F2 Sb1 F1 88.5(4) . . ?
F4 Sb1 F1 91.5(4) . 3_656 ?
F3 Sb1 F1 91.9(8) 3_656 3_656 ?
F3 Sb1 F1 88.0(8) . 3_656 ?
F2 Sb1 F1 88.5(4) . 3_656 ?
F1 Sb1 F1 177.1(8) . 3_656 ?
F7' Sb2 F7' 170.6(14) . 3_556 ?
F7' Sb2 F7 40.2(8) . 3_556 ?
F7' Sb2 F7 130.4(8) 3_556 3_556 ?
F7' Sb2 F7 130.4(8) . . ?
F7' Sb2 F7 40.2(8) 3_556 . ?
F7 Sb2 F7 90.3(9) 3_556 . ?
F7' Sb2 F5 88(2) . 3_556 ?
F7' Sb2 F5 92(2) 3_556 3_556 ?
F7 Sb2 F5 90.9(7) 3_556 3_556 ?
F7 Sb2 F5 90.8(6) . 3_556 ?
F7' Sb2 F5 92(2) . . ?
F7' Sb2 F5 88(2) 3_556 . ?
F7 Sb2 F5 90.8(6) 3_556 . ?
F7 Sb2 F5 90.9(7) . . ?
F5 Sb2 F5 177.7(10) 3_556 . ?
F7' Sb2 F6 139.1(8) . . ?
F7' Sb2 F6 50.4(8) 3_556 . ?
F7 Sb2 F6 179.1(7) 3_556 . ?
F7 Sb2 F6 90.5(5) . . ?
F5 Sb2 F6 89.6(7) 3_556 . ?
F5 Sb2 F6 88.8(7) . . ?
F7' Sb2 F6 50.4(8) . 3_556 ?
F7' Sb2 F6 139.1(8) 3_556 3_556 ?
F7 Sb2 F6 90.5(5) 3_556 3_556 ?
F7 Sb2 F6 179.1(7) . 3_556 ?
F5 Sb2 F6 88.8(7) 3_556 3_556 ?
F5 Sb2 F6 89.6(7) . 3_556 ?
F6 Sb2 F6 88.7(9) . 3_556 ?
F7' Sb2 F6' 93.5(8) . 3_556 ?
F7' Sb2 F6' 93.1(8) 3_556 3_556 ?
F7 Sb2 F6' 120.8(13) 3_556 3_556 ?
F7 Sb2 F6' 118.4(13) . 3_556 ?
F5 Sb2 F6' 43.4(6) 3_556 3_556 ?
F5 Sb2 F6' 134.3(7) . 3_556 ?
F6 Sb2 F6' 59.1(13) . 3_556 ?
F6 Sb2 F6' 60.8(13) 3_556 3_556 ?
F7' Sb2 F6' 93.1(8) . . ?
F7' Sb2 F6' 93.5(8) 3_556 . ?
F7 Sb2 F6' 118.4(13) 3_556 . ?
F7 Sb2 F6' 120.8(13) . . ?
F5 Sb2 F6' 134.3(7) 3_556 . ?
F5 Sb2 F6' 43.4(6) . . ?
F6 Sb2 F6' 60.8(13) . . ?
F6 Sb2 F6' 59.1(13) 3_556 . ?
F6' Sb2 F6' 91.0(9) 3_556 . ?
F7' Sb2 F5' 86.9(8) . . ?
F7' Sb2 F5' 86.5(8) 3_556 . ?
F7 Sb2 F5' 59.4(13) 3_556 . ?
F7 Sb2 F5' 61.2(13) . . ?
F5 Sb2 F5' 136.5(7) 3_556 . ?
F5 Sb2 F5' 45.8(6) . . ?
F6 Sb2 F5' 120.7(13) . . ?
F6 Sb2 F5' 119.6(13) 3_556 . ?
F6' Sb2 F5' 179.6(10) 3_556 . ?
F6' Sb2 F5' 89.1(5) . . ?
F7' Sb2 F5' 86.5(8) . 3_556 ?
F7' Sb2 F5' 86.9(8) 3_556 3_556 ?
F7 Sb2 F5' 61.2(13) 3_556 3_556 ?
F7 Sb2 F5' 59.4(13) . 3_556 ?
F5 Sb2 F5' 45.8(6) 3_556 3_556 ?
F5 Sb2 F5' 136.5(7) . 3_556 ?
F6 Sb2 F5' 119.6(13) . 3_556 ?
F6 Sb2 F5' 120.7(13) 3_556 3_556 ?
F6' Sb2 F5' 89.1(5) 3_556 3_556 ?
F6' Sb2 F5' 179.6(10) . 3_556 ?
F5' Sb2 F5' 90.7(9) . 3_556 ?
Cl02 C01 Cl01 102(2) . . ?
Cl03 C02 Cl04 103(2) . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Au1 Au2 S3 60.70(13) . . . . ?
S1 Au1 Au2 S3 -117.20(13) . . . . ?
P1 Au1 Au2 S2 -128.25(14) . . . . ?
S1 Au1 Au2 S2 53.85(14) . . . . ?
P1 Au1 Au2 Au3 -37.38(10) . . . . ?
S1 Au1 Au2 Au3 144.72(10) . . . . ?
S3 Au2 Au3 S5 150.30(16) . . . . ?
S2 Au2 Au3 S5 -19.86(18) . . . . ?
Au1 Au2 Au3 S5 -100.68(13) . . . . ?
S3 Au2 Au3 S4 -32.85(14) . . . . ?
S2 Au2 Au3 S4 156.99(16) . . . . ?
Au1 Au2 Au3 S4 76.18(10) . . . . ?
S3 Au2 Au3 Au4 -141.42(16) . . . . ?
S2 Au2 Au3 Au4 48.42(18) . . . . ?
Au1 Au2 Au3 Au4 -32.39(13) . . . . ?
S5 Au3 Au4 P2 139.95(15) . . . . ?
S4 Au3 Au4 P2 -36.83(13) . . . . ?
Au2 Au3 Au4 P2 70.47(15) . . . . ?
S5 Au3 Au4 S6 -42.09(17) . . . . ?
S4 Au3 Au4 S6 141.13(16) . . . . ?
Au2 Au3 Au4 S6 -111.57(17) . . . . ?
P1 Au1 S1 C1 136.7(7) . . . . ?
Au2 Au1 S1 C1 -51.6(5) . . . . ?
S3 Au2 S2 C1 80.6(9) . . . . ?
Au3 Au2 S2 C1 -161.5(5) . . . . ?
Au1 Au2 S2 C1 -49.2(5) . . . . ?
S2 Au2 S3 C6 145.3(8) . . . . ?
Au3 Au2 S3 C6 27.1(5) . . . . ?
Au1 Au2 S3 C6 -87.0(5) . . . . ?
S5 Au3 S4 C6 116(3) . . . . ?
Au2 Au3 S4 C6 36.2(5) . . . . ?
Au4 Au3 S4 C6 -155.5(5) . . . . ?
S4 Au3 S5 C11 135(3) . . . . ?
Au2 Au3 S5 C11 -145.1(6) . . . . ?
Au4 Au3 S5 C11 46.3(6) . . . . ?
P2 Au4 S6 C11 -157.2(9) . . . . ?
Au3 Au4 S6 C11 34.2(6) . . . . ?
S1 Au1 P1 C30 -30.4(8) . . . . ?
Au2 Au1 P1 C30 158.5(5) . . . . ?
S1 Au1 P1 C36 84.9(7) . . . . ?
Au2 Au1 P1 C36 -86.2(4) . . . . ?
S1 Au1 P1 C16 -150.8(6) . . . . ?
Au2 Au1 P1 C16 38.1(5) . . . . ?
S6 Au4 P2 C48 48.1(10) . . . . ?
Au3 Au4 P2 C48 -143.6(5) . . . . ?
S6 Au4 P2 C42 -68.5(10) . . . . ?
Au3 Au4 P2 C42 99.8(5) . . . . ?
S6 Au4 P2 C23 166.1(9) . . . . ?
Au3 Au4 P2 C23 -25.6(4) . . . . ?
C4 N1 C1 S1 -168.4(11) . . . . ?
C2 N1 C1 S1 4.0(18) . . . . ?
C4 N1 C1 S2 10.8(18) . . . . ?
C2 N1 C1 S2 -176.8(11) . . . . ?
Au1 S1 C1 N1 -150.3(10) . . . . ?
Au1 S1 C1 S2 30.6(9) . . . . ?
Au2 S2 C1 N1 -154.9(9) . . . . ?
Au2 S2 C1 S1 24.3(10) . . . . ?
C1 N1 C2 C3 -92.1(18) . . . . ?
C4 N1 C2 C3 80.9(18) . . . . ?
C1 N1 C4 C5 -89.9(18) . . . . ?
C2 N1 C4 C5 97.2(16) . . . . ?
C9 N2 C6 S3 174.6(12) . . . . ?
C7 N2 C6 S3 -5.3(18) . . . . ?
C9 N2 C6 S4 -6.2(19) . . . . ?
C7 N2 C6 S4 173.9(10) . . . . ?
Au2 S3 C6 N2 172.7(9) . . . . ?
Au2 S3 C6 S4 -6.5(10) . . . . ?
Au3 S4 C6 N2 153.4(9) . . . . ?
Au3 S4 C6 S3 -27.4(10) . . . . ?
C6 N2 C7 C8 94.6(18) . . . . ?
C9 N2 C7 C8 -85.4(18) . . . . ?
C6 N2 C9 C10 90.6(19) . . . . ?
C7 N2 C9 C10 -89.5(18) . . . . ?
C12 N3 C11 S5 -10(3) . . . . ?
C14 N3 C11 S5 -178.0(14) . . . . ?
C12 N3 C11 S6 171.0(15) . . . . ?
C14 N3 C11 S6 3(2) . . . . ?
Au3 S5 C11 N3 145.5(13) . . . . ?
Au3 S5 C11 S6 -35.6(12) . . . . ?
Au4 S6 C11 N3 170.5(13) . . . . ?
Au4 S6 C11 S5 -8.3(12) . . . . ?
C11 N3 C12 C13 89(3) . . . . ?
C14 N3 C12 C13 -103(2) . . . . ?
C11 N3 C14 C15 -104(3) . . . . ?
C12 N3 C14 C15 87(3) . . . . ?
C30 P1 C16 C29 -86.4(10) . . . . ?
C36 P1 C16 C29 158.6(9) . . . . ?
Au1 P1 C16 C29 37.4(11) . . . . ?
C30 P1 C16 C17 94.8(11) . . . . ?
C36 P1 C16 C17 -20.3(12) . . . . ?
Au1 P1 C16 C17 -141.5(9) . . . . ?
C29 C16 C17 C18 161.5(13) . . . . ?
P1 C16 C17 C18 -19.6(19) . . . . ?
C29 C16 C17 C22 -13.4(18) . . . . ?
P1 C16 C17 C22 165.5(9) . . . . ?
C16 C17 C18 C19 175.6(17) . . . . ?
C22 C17 C18 C19 -9(3) . . . . ?
C17 C18 C19 C20 8(3) . . . . ?
C18 C19 C20 C21 -1(3) . . . . ?
C19 C20 C21 C22 -4(3) . . . . ?
C20 C21 C22 C23 175.9(16) . . . . ?
C20 C21 C22 C17 2(2) . . . . ?
C18 C17 C22 C23 -170.1(13) . . . . ?
C16 C17 C22 C23 5.3(18) . . . . ?
C18 C17 C22 C21 4.2(19) . . . . ?
C16 C17 C22 C21 179.5(12) . . . . ?
C21 C22 C23 C24 -165.3(12) . . . . ?
C17 C22 C23 C24 8.6(18) . . . . ?
C21 C22 C23 P2 19.5(18) . . . . ?
C17 C22 C23 P2 -166.6(9) . . . . ?
C48 P2 C23 C22 -100.9(12) . . . . ?
C42 P2 C23 C22 12.3(13) . . . . ?
Au4 P2 C23 C22 134.1(10) . . . . ?
C48 P2 C23 C24 83.7(10) . . . . ?
C42 P2 C23 C24 -163.2(9) . . . . ?
Au4 P2 C23 C24 -41.4(10) . . . . ?
C22 C23 C24 C25 165.7(11) . . . . ?
P2 C23 C24 C25 -18.5(15) . . . . ?
C22 C23 C24 C29 -14.2(17) . . . . ?
P2 C23 C24 C29 161.6(9) . . . . ?
C23 C24 C25 C26 174.4(12) . . . . ?
C29 C24 C25 C26 -5.7(19) . . . . ?
C24 C25 C26 C27 2(2) . . . . ?
C25 C26 C27 C28 3(2) . . . . ?
C26 C27 C28 C29 -4(2) . . . . ?
C17 C16 C29 C28 -170.7(11) . . . . ?
P1 C16 C29 C28 10.4(16) . . . . ?
C17 C16 C29 C24 7.7(17) . . . . ?
P1 C16 C29 C24 -171.2(9) . . . . ?
C27 C28 C29 C16 178.4(13) . . . . ?
C27 C28 C29 C24 -0.1(19) . . . . ?
C23 C24 C29 C16 6.0(17) . . . . ?
C25 C24 C29 C16 -173.9(11) . . . . ?
C23 C24 C29 C28 -175.5(11) . . . . ?
C25 C24 C29 C28 4.7(16) . . . . ?
C36 P1 C30 C31 -68.9(13) . . . . ?
C16 P1 C30 C31 172.7(12) . . . . ?
Au1 P1 C30 C31 45.8(13) . . . . ?
C36 P1 C30 C35 110.3(12) . . . . ?
C16 P1 C30 C35 -8.0(14) . . . . ?
Au1 P1 C30 C35 -134.9(11) . . . . ?
C35 C30 C31 C32 -1(2) . . . . ?
P1 C30 C31 C32 178.7(11) . . . . ?
C30 C31 C32 C33 0(3) . . . . ?
C31 C32 C33 C34 2(3) . . . . ?
C32 C33 C34 C35 -2(3) . . . . ?
C33 C34 C35 C30 2(3) . . . . ?
C31 C30 C35 C34 0(3) . . . . ?
P1 C30 C35 C34 -179.4(14) . . . . ?
C30 P1 C36 C37 -1.4(12) . . . . ?
C16 P1 C36 C37 112.5(11) . . . . ?
Au1 P1 C36 C37 -120.0(10) . . . . ?
C30 P1 C36 C41 179.1(11) . . . . ?
C16 P1 C36 C41 -67.0(12) . . . . ?
Au1 P1 C36 C41 60.5(11) . . . . ?
C41 C36 C37 C38 -2(2) . . . . ?
P1 C36 C37 C38 178.3(11) . . . . ?
C36 C37 C38 C39 2(2) . . . . ?
C37 C38 C39 C40 0(3) . . . . ?
C38 C39 C40 C41 -1(3) . . . . ?
C39 C40 C41 C36 1(3) . . . . ?
C37 C36 C41 C40 1(2) . . . . ?
P1 C36 C41 C40 -179.4(12) . . . . ?
C48 P2 C42 C43 -179.9(14) . . . . ?
C23 P2 C42 C43 66.8(15) . . . . ?
Au4 P2 C42 C43 -55.9(15) . . . . ?
C48 P2 C42 C47 -0.1(16) . . . . ?
C23 P2 C42 C47 -113.3(15) . . . . ?
Au4 P2 C42 C47 124.0(14) . . . . ?
C47 C42 C43 C44 0(3) . . . . ?
P2 C42 C43 C44 179.8(17) . . . . ?
C42 C43 C44 C45 -2(4) . . . . ?
C43 C44 C45 C46 2(4) . . . . ?
C44 C45 C46 C47 2(4) . . . . ?
C45 C46 C47 C42 -4(4) . . . . ?
C43 C42 C47 C46 3(3) . . . . ?
P2 C42 C47 C46 -176.7(17) . . . . ?
C42 P2 C48 C49 -75.9(12) . . . . ?
C23 P2 C48 C49 44.3(13) . . . . ?
Au4 P2 C48 C49 165.3(10) . . . . ?
C42 P2 C48 C53 101.5(12) . . . . ?
C23 P2 C48 C53 -138.4(11) . . . . ?
Au4 P2 C48 C53 -17.3(13) . . . . ?
C53 C48 C49 C50 0(2) . . . . ?
P2 C48 C49 C50 176.9(12) . . . . ?
C48 C49 C50 C51 2(3) . . . . ?
C49 C50 C51 C52 -1(3) . . . . ?
C50 C51 C52 C53 -1(3) . . . . ?
C51 C52 C53 C48 2(3) . . . . ?
C49 C48 C53 C52 -1(2) . . . . ?
P2 C48 C53 C52 -178.6(12) . . . . ?

_diffrn_measured_fraction_theta_max 0.986
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.986
_refine_diff_density_max         1.788
_refine_diff_density_min         -1.091
_refine_diff_density_rms         0.174

####################################################################### 
# 
# 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_6
_database_code_depnum_ccdc_archive 'CCDC 936711'
_audit_update_record             
;
2015-03-26 deposited with the CCDC.
2015-03-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C83 H96 Au6 F18 N3 P6 S6 Sb3'
_chemical_formula_weight         3402.86

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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 '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'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2/c

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   16.476(6)
_cell_length_b                   19.474(8)
_cell_length_c                   18.238(7)
_cell_angle_alpha                90.00
_cell_angle_beta                 95.004(4)
_cell_angle_gamma                90.00
_cell_volume                     5830(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    13571
_cell_measurement_theta_min      2.2419
_cell_measurement_theta_max      27.3832

_exptl_crystal_description       Block
_exptl_crystal_colour            Yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.939
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3180
_exptl_absorpt_coefficient_mu    8.457
_exptl_absorpt_correction_type   Multi-scan
_exptl_absorpt_correction_T_min  0.1911
_exptl_absorpt_correction_T_max  0.362
_exptl_absorpt_process_details   
;
RIGAKU/MSC(2004), CrystalClear Version 1.3.6,  
  Rigaku/MSC, 9009 New Trails Drive, The Woodlands, TX77381-5209, USA
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            54403
_diffrn_reflns_av_R_equivalents  0.0818
_diffrn_reflns_av_unetI/netI     0.0656
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.03
_diffrn_reflns_theta_max         25.00
_reflns_number_total             10158
_reflns_number_gt                6592
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
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 0.000 0.500 0.000 274 170 ' '
2 0.000 0.796 0.250 13 1 ' '
3 0.000 0.500 0.500 274 171 ' '
4 0.000 0.204 0.750 13 1 ' '
5 0.500 0.031 0.250 102 41 ' '
6 0.500 0.969 0.750 102 40 ' '
7 0.500 0.646 0.250 7 0 ' '
8 0.500 0.354 0.750 7 0 ' '
_platon_squeeze_details          
;
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1398P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         10158
_refine_ls_number_parameters     596
_refine_ls_number_restraints     465
_refine_ls_R_factor_all          0.1083
_refine_ls_R_factor_gt           0.0782
_refine_ls_wR_factor_ref         0.2294
_refine_ls_wR_factor_gt          0.2076
_refine_ls_goodness_of_fit_ref   0.983
_refine_ls_restrained_S_all      1.009
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.40282(3) 0.27807(3) 0.24326(3) 0.0620(2) Uani 1 1 d . . .
Au2 Au 0.24770(3) 0.20650(4) 0.25058(3) 0.0657(2) Uani 1 1 d . . .
Au3 Au 0.07086(3) 0.22401(3) 0.30747(3) 0.0615(2) Uani 1 1 d . . .
S1 S 0.4449(2) 0.1994(3) 0.3362(3) 0.0789(13) Uani 1 1 d . . .
S2 S 0.2710(2) 0.2212(3) 0.3785(2) 0.0881(16) Uani 1 1 d . . .
S3 S 0.0933(2) 0.3273(2) 0.2464(3) 0.0726(11) Uani 1 1 d . . .
P1 P 0.3586(2) 0.3598(2) 0.1594(2) 0.0632(10) Uani 1 1 d . . .
P2 P 0.2203(2) 0.1939(2) 0.1271(2) 0.0577(9) Uani 1 1 d . . .
N1 N 0.3990(8) 0.2002(8) 0.4739(7) 0.081(4) Uani 1 1 d U . .
N2 N 0.0000 0.4387(10) 0.2500 0.100(8) Uani 1 2 d S . .
C1 C 0.2609(9) 0.3372(7) 0.1105(8) 0.060(4) Uani 1 1 d . . .
H1A H 0.2188 0.3383 0.1445 0.072 Uiso 1 1 calc R . .
H1B H 0.2470 0.3709 0.0723 0.072 Uiso 1 1 calc R . .
C2 C 0.2637(9) 0.2650(10) 0.0756(9) 0.076(5) Uani 1 1 d . . .
H2A H 0.3201 0.2541 0.0692 0.091 Uiso 1 1 calc R . .
H2B H 0.2349 0.2669 0.0269 0.091 Uiso 1 1 calc R . .
C3 C 0.3730(9) 0.2048(9) 0.3998(8) 0.065(4) Uani 1 1 d . . .
C6 C 0.3408(11) 0.2007(11) 0.5323(8) 0.086(5) Uani 1 1 d U . .
H6A H 0.2879 0.1845 0.5118 0.104 Uiso 1 1 calc R . .
H6B H 0.3601 0.1697 0.5716 0.104 Uiso 1 1 calc R . .
C7 C 0.3325(15) 0.2708(13) 0.5625(14) 0.122(8) Uani 1 1 d U . .
H7A H 0.2917 0.2706 0.5971 0.183 Uiso 1 1 calc R . .
H7B H 0.3167 0.3020 0.5232 0.183 Uiso 1 1 calc R . .
H7C H 0.3837 0.2850 0.5869 0.183 Uiso 1 1 calc R . .
C8 C 0.4859(12) 0.1976(15) 0.4954(10) 0.126(9) Uani 1 1 d U . .
H8A H 0.4980 0.2228 0.5409 0.152 Uiso 1 1 calc R . .
H8B H 0.5155 0.2189 0.4577 0.152 Uiso 1 1 calc R . .
C9 C 0.5148(16) 0.1176(18) 0.5067(17) 0.201(16) Uani 1 1 d U . .
H9A H 0.5716 0.1161 0.5235 0.301 Uiso 1 1 calc R . .
H9B H 0.5060 0.0936 0.4607 0.301 Uiso 1 1 calc R . .
H9C H 0.4836 0.0961 0.5424 0.301 Uiso 1 1 calc R . .
C10 C 0.4250(9) 0.3789(7) 0.0886(8) 0.062(3) Uani 1 1 d U . .
C11 C 0.3993(10) 0.3821(10) 0.0151(10) 0.082(5) Uani 1 1 d U . .
H11A H 0.3443 0.3769 0.0000 0.098 Uiso 1 1 calc R . .
C12 C 0.4546(13) 0.3931(11) -0.0372(10) 0.096(6) Uani 1 1 d U . .
H12A H 0.4387 0.3895 -0.0872 0.115 Uiso 1 1 calc R . .
C13 C 0.5319(12) 0.4091(11) -0.0132(11) 0.098(6) Uani 1 1 d U . .
H13A H 0.5661 0.4251 -0.0473 0.118 Uiso 1 1 calc R . .
C14 C 0.5628(12) 0.4032(14) 0.0583(13) 0.122(9) Uani 1 1 d U . .
H14A H 0.6179 0.4097 0.0724 0.146 Uiso 1 1 calc R . .
C15 C 0.5078(10) 0.3872(10) 0.1088(11) 0.090(6) Uani 1 1 d U . .
H15A H 0.5269 0.3816 0.1579 0.108 Uiso 1 1 calc R . .
C16 C 0.0839(8) 0.1414(8) 0.4723(8) 0.071(4) Uani 1 1 d DU . .
C17 C 0.1216(10) 0.0892(9) 0.5133(9) 0.096(5) Uani 1 1 d DU . .
H17A H 0.1246 0.0461 0.4916 0.115 Uiso 1 1 calc R . .
C18 C 0.1547(14) 0.0973(11) 0.5838(10) 0.119(6) Uani 1 1 d DU . .
H18A H 0.1844 0.0623 0.6082 0.143 Uiso 1 1 calc R . .
C19 C 0.1425(13) 0.1594(11) 0.6178(10) 0.118(6) Uani 1 1 d DU . .
H19A H 0.1596 0.1659 0.6672 0.142 Uiso 1 1 calc R . .
C20 C 0.1050(12) 0.2109(10) 0.5775(9) 0.101(5) Uani 1 1 d DU . .
H20A H 0.0966 0.2524 0.6009 0.121 Uiso 1 1 calc R . .
C21 C 0.0791(11) 0.2051(9) 0.5047(9) 0.087(4) Uani 1 1 d DU . .
H21A H 0.0589 0.2429 0.4778 0.104 Uiso 1 1 calc R . .
C22 C 0.0750(9) 0.0490(10) 0.3483(9) 0.074(4) Uani 1 1 d U . .
C23 C 0.0342(12) -0.0140(12) 0.3638(13) 0.109(7) Uani 1 1 d U . .
H23A H -0.0138 -0.0117 0.3871 0.130 Uiso 1 1 calc R . .
C24 C 0.0620(14) -0.0746(13) 0.3464(15) 0.121(7) Uani 1 1 d U . .
H24A H 0.0349 -0.1146 0.3577 0.145 Uiso 1 1 calc R . .
C25 C 0.1324(13) -0.0772(12) 0.3108(11) 0.099(5) Uani 1 1 d U . .
H25A H 0.1540 -0.1197 0.2999 0.119 Uiso 1 1 calc R . .
C26 C 0.1731(14) -0.0161(13) 0.2903(11) 0.106(6) Uani 1 1 d U . .
H26A H 0.2171 -0.0179 0.2617 0.128 Uiso 1 1 calc R . .
C27 C 0.1458(9) 0.0428(10) 0.3136(11) 0.084(5) Uani 1 1 d U . .
H27A H 0.1758 0.0823 0.3062 0.100 Uiso 1 1 calc R . .
C28 C 0.3414(11) 0.4395(8) 0.2034(9) 0.086(4) Uani 1 1 d DU . .
C29 C 0.3063(11) 0.4424(9) 0.2692(10) 0.094(5) Uani 1 1 d DU . .
H29A H 0.2909 0.4016 0.2907 0.112 Uiso 1 1 calc R . .
C30 C 0.2933(12) 0.5026(10) 0.3039(12) 0.114(6) Uani 1 1 d DU . .
H30A H 0.2695 0.5029 0.3483 0.137 Uiso 1 1 calc R . .
C31 C 0.3159(17) 0.5637(10) 0.2723(14) 0.142(8) Uani 1 1 d DU . .
H31A H 0.3022 0.6058 0.2920 0.170 Uiso 1 1 calc R . .
C32 C 0.359(2) 0.5605(10) 0.2114(15) 0.173(9) Uani 1 1 d DU . .
H32A H 0.3821 0.6003 0.1943 0.207 Uiso 1 1 calc R . .
C33 C 0.3687(18) 0.4998(9) 0.1755(13) 0.145(8) Uani 1 1 d DU . .
H33A H 0.3939 0.4995 0.1319 0.174 Uiso 1 1 calc R . .
C34 C 0.2620(9) 0.1167(8) 0.0883(8) 0.071(4) Uani 1 1 d DU . .
C35 C 0.3121(12) 0.0729(10) 0.1327(11) 0.110(6) Uani 1 1 d DU . .
H35A H 0.3200 0.0801 0.1832 0.132 Uiso 1 1 calc R . .
C36 C 0.3506(15) 0.0177(12) 0.0998(13) 0.135(7) Uani 1 1 d DU . .
H36A H 0.3906 -0.0078 0.1266 0.162 Uiso 1 1 calc R . .
C37 C 0.3279(14) 0.0021(13) 0.0273(13) 0.146(8) Uani 1 1 d DU . .
H37A H 0.3436 -0.0398 0.0086 0.176 Uiso 1 1 calc R . .
C38 C 0.2818(13) 0.0475(12) -0.0192(11) 0.122(7) Uani 1 1 d DU . .
H38A H 0.2754 0.0411 -0.0699 0.147 Uiso 1 1 calc R . .
C39 C 0.2464(10) 0.1021(9) 0.0143(9) 0.093(5) Uani 1 1 d DU . .
H39A H 0.2106 0.1302 -0.0141 0.111 Uiso 1 1 calc R . .
C40 C 0.0000 0.3700(14) 0.2500 0.075(7) Uani 1 2 d S . .
C41 C 0.0773(12) 0.4751(9) 0.2527(13) 0.099(6) Uani 1 1 d . . .
H41A H 0.1198 0.4476 0.2783 0.119 Uiso 1 1 calc R . .
H41B H 0.0733 0.5180 0.2792 0.119 Uiso 1 1 calc R . .
C42 C 0.0993(13) 0.4902(16) 0.1699(16) 0.158(13) Uani 1 1 d . . .
H42A H 0.1544 0.5065 0.1709 0.237 Uiso 1 1 calc R . .
H42B H 0.0629 0.5244 0.1480 0.237 Uiso 1 1 calc R . .
H42C H 0.0938 0.4487 0.1416 0.237 Uiso 1 1 calc R . .
Sb1 Sb 0.11893(19) 0.3230(2) -0.1201(2) 0.303(3) Uani 1 1 d DU . .
F1 F 0.1097(13) 0.4161(5) -0.1312(13) 0.330(7) Uani 1 1 d DU . .
F2 F 0.0095(6) 0.3162(11) -0.1448(12) 0.317(7) Uani 1 1 d DU . .
F3 F 0.1258(13) 0.2319(5) -0.1044(13) 0.303(7) Uani 1 1 d DU . .
F4 F 0.2264(6) 0.3337(11) -0.0915(11) 0.295(7) Uani 1 1 d DU . .
F5 F 0.0968(13) 0.3342(12) -0.0234(6) 0.317(7) Uani 1 1 d DU . .
F6 F 0.1391(13) 0.3137(12) -0.2141(6) 0.325(7) Uani 1 1 d DU . .
Sb2 Sb 0.3939(4) 0.1908(4) -0.2202(3) 0.229(3) Uani 0.50 1 d PDU A -1
F11 F 0.4414(17) 0.1065(9) -0.2202(19) 0.228(8) Uani 0.50 1 d PDU A -1
F8 F 0.3030(12) 0.1546(15) -0.2695(16) 0.248(8) Uani 0.50 1 d PDU A -1
F10 F 0.4849(13) 0.2258(16) -0.1706(17) 0.261(8) Uani 0.50 1 d PDU A -1
F9 F 0.3527(18) 0.1708(17) -0.1326(10) 0.246(8) Uani 0.50 1 d PDU A -1
F7 F 0.4496(19) 0.180(3) -0.3021(13) 0.251(8) Uani 0.50 1 d PDU A -1
F12 F 0.3447(18) 0.2745(9) -0.220(2) 0.268(8) Uani 0.50 1 d PDU A -1
C5 C 0.1109(8) 0.1942(8) 0.0976(8) 0.056(3) Uani 1 1 d . . .
H5A H 0.0857 0.2337 0.1188 0.068 Uiso 1 1 calc R . .
H5B H 0.1033 0.1985 0.0445 0.068 Uiso 1 1 calc R . .
C4 C 0.0685(8) 0.1276(8) 0.1217(8) 0.063(4) Uani 1 1 d . . .
H4A H 0.0910 0.1157 0.1710 0.075 Uiso 1 1 calc R . .
H4B H 0.0819 0.0906 0.0892 0.075 Uiso 1 1 calc R . .
P3 P 0.0414(2) 0.1319(2) 0.3784(2) 0.0681(11) 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 P1 2.282(4) . ?
Au1 S1 2.345(4) . ?
Au1 Au2 2.9244(12) . ?
Au1 Au1 3.1901(16) 2_655 ?
Au2 P2 2.271(4) . ?
Au2 S2 2.348(4) . ?
Au2 Au3 3.1952(13) . ?
Au3 P3 2.288(5) . ?
Au3 S3 2.344(5) . ?
Au3 Au3 2.9987(14) 2 ?
S1 C3 1.732(16) . ?
S2 C3 1.722(15) . ?
S3 C40 1.754(14) . ?
P1 C28 1.782(16) . ?
P1 C10 1.803(15) . ?
P1 C1 1.824(15) . ?
P2 C34 1.822(15) . ?
P2 C5 1.836(13) . ?
P2 C2 1.852(17) . ?
N1 C3 1.384(18) . ?
N1 C8 1.45(2) . ?
N1 C6 1.49(2) . ?
N2 C40 1.34(3) . ?
N2 C41 1.45(2) . ?
N2 C41 1.45(2) 2 ?
C1 C2 1.55(2) . ?
C6 C7 1.48(3) . ?
C8 C9 1.64(4) . ?
C10 C11 1.37(2) . ?
C10 C15 1.39(2) . ?
C11 C12 1.39(2) . ?
C12 C13 1.35(3) . ?
C13 C14 1.36(3) . ?
C14 C15 1.38(2) . ?
C16 C17 1.378(15) . ?
C16 C21 1.378(15) . ?
C16 P3 1.802(15) . ?
C17 C18 1.362(16) . ?
C18 C19 1.382(17) . ?
C19 C20 1.358(16) . ?
C20 C21 1.363(16) . ?
C22 C27 1.38(2) . ?
C22 C23 1.44(3) . ?
C22 P3 1.808(19) . ?
C23 C24 1.32(3) . ?
C24 C25 1.38(3) . ?
C25 C26 1.43(3) . ?
C26 C27 1.31(3) . ?
C28 C33 1.372(16) . ?
C28 C29 1.378(15) . ?
C29 C30 1.358(15) . ?
C30 C31 1.387(17) . ?
C31 C32 1.371(17) . ?
C32 C33 1.366(17) . ?
C34 C39 1.380(15) . ?
C34 C35 1.395(16) . ?
C35 C36 1.409(17) . ?
C36 C37 1.375(17) . ?
C37 C38 1.401(17) . ?
C38 C39 1.381(16) . ?
C40 S3 1.754(14) 2 ?
C41 C42 1.61(3) . ?
Sb1 F6 1.785(9) . ?
Sb1 F3 1.800(9) . ?
Sb1 F4 1.814(9) . ?
Sb1 F2 1.824(9) . ?
Sb1 F1 1.829(9) . ?
Sb1 F5 1.845(9) . ?
Sb2 F10 1.815(9) . ?
Sb2 F12 1.820(9) . ?
Sb2 F11 1.820(9) . ?
Sb2 F8 1.820(9) . ?
Sb2 F9 1.832(9) . ?
Sb2 F7 1.833(9) . ?
C5 C4 1.56(2) . ?
C4 P3 1.812(14) 2 ?
P3 C4 1.812(14) 2 ?

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
P1 Au1 S1 175.79(16) . . ?
P1 Au1 Au2 97.67(10) . . ?
S1 Au1 Au2 81.95(11) . . ?
P1 Au1 Au1 108.15(10) . 2_655 ?
S1 Au1 Au1 73.31(10) . 2_655 ?
Au2 Au1 Au1 150.68(2) . 2_655 ?
P2 Au2 S2 177.81(14) . . ?
P2 Au2 Au1 96.02(10) . . ?
S2 Au2 Au1 85.39(11) . . ?
P2 Au2 Au3 103.05(10) . . ?
S2 Au2 Au3 74.86(10) . . ?
Au1 Au2 Au3 142.12(3) . . ?
P3 Au3 S3 172.40(15) . . ?
P3 Au3 Au3 101.81(10) . 2 ?
S3 Au3 Au3 79.26(11) . 2 ?
P3 Au3 Au2 110.16(10) . . ?
S3 Au3 Au2 75.58(9) . . ?
Au3 Au3 Au2 116.71(4) 2 . ?
C3 S1 Au1 105.5(5) . . ?
C3 S2 Au2 105.8(5) . . ?
C40 S3 Au3 102.3(7) . . ?
C28 P1 C10 105.8(7) . . ?
C28 P1 C1 105.2(8) . . ?
C10 P1 C1 105.3(7) . . ?
C28 P1 Au1 111.0(6) . . ?
C10 P1 Au1 116.5(5) . . ?
C1 P1 Au1 112.1(5) . . ?
C34 P2 C5 106.4(7) . . ?
C34 P2 C2 104.2(8) . . ?
C5 P2 C2 105.1(7) . . ?
C34 P2 Au2 115.2(5) . . ?
C5 P2 Au2 113.3(5) . . ?
C2 P2 Au2 111.7(5) . . ?
C3 N1 C8 118.6(14) . . ?
C3 N1 C6 122.2(13) . . ?
C8 N1 C6 119.1(13) . . ?
C40 N2 C41 119.2(10) . . ?
C40 N2 C41 119.2(10) . 2 ?
C41 N2 C41 122(2) . 2 ?
C2 C1 P1 111.3(9) . . ?
C1 C2 P2 116.4(11) . . ?
N1 C3 S2 116.4(12) . . ?
N1 C3 S1 118.6(11) . . ?
S2 C3 S1 124.9(8) . . ?
C7 C6 N1 110.9(18) . . ?
N1 C8 C9 110(2) . . ?
C11 C10 C15 117.7(15) . . ?
C11 C10 P1 123.7(12) . . ?
C15 C10 P1 118.5(12) . . ?
C10 C11 C12 120.8(16) . . ?
C13 C12 C11 118.0(18) . . ?
C12 C13 C14 123.8(18) . . ?
C13 C14 C15 116.3(18) . . ?
C14 C15 C10 122.3(17) . . ?
C17 C16 C21 118.2(14) . . ?
C17 C16 P3 123.9(13) . . ?
C21 C16 P3 117.9(11) . . ?
C18 C17 C16 123.3(16) . . ?
C17 C18 C19 117.6(17) . . ?
C20 C19 C18 118.7(17) . . ?
C19 C20 C21 123.7(17) . . ?
C20 C21 C16 117.8(15) . . ?
C27 C22 C23 116.3(17) . . ?
C27 C22 P3 120.7(14) . . ?
C23 C22 P3 122.8(13) . . ?
C24 C23 C22 122.7(19) . . ?
C23 C24 C25 118(2) . . ?
C24 C25 C26 122(2) . . ?
C27 C26 C25 117(2) . . ?
C26 C27 C22 123(2) . . ?
C33 C28 C29 117.6(15) . . ?
C33 C28 P1 120.6(13) . . ?
C29 C28 P1 121.6(12) . . ?
C30 C29 C28 122.4(16) . . ?
C29 C30 C31 119.2(17) . . ?
C32 C31 C30 118.3(18) . . ?
C33 C32 C31 121.2(19) . . ?
C32 C33 C28 120.5(18) . . ?
C39 C34 C35 119.5(15) . . ?
C39 C34 P2 120.3(12) . . ?
C35 C34 P2 120.1(12) . . ?
C34 C35 C36 118.9(16) . . ?
C37 C36 C35 118.9(18) . . ?
C36 C37 C38 122.0(19) . . ?
C39 C38 C37 116.4(17) . . ?
C34 C39 C38 122.7(16) . . ?
N2 C40 S3 118.3(8) . 2 ?
N2 C40 S3 118.3(8) . . ?
S3 C40 S3 123.4(16) 2 . ?
N2 C41 C42 109.0(16) . . ?
F6 Sb1 F3 92.2(6) . . ?
F6 Sb1 F4 91.6(6) . . ?
F3 Sb1 F4 91.2(6) . . ?
F6 Sb1 F2 91.1(6) . . ?
F3 Sb1 F2 90.8(6) . . ?
F4 Sb1 F2 176.6(7) . . ?
F6 Sb1 F1 90.8(6) . . ?
F3 Sb1 F1 177.0(7) . . ?
F4 Sb1 F1 89.3(6) . . ?
F2 Sb1 F1 88.5(6) . . ?
F6 Sb1 F5 178.8(7) . . ?
F3 Sb1 F5 88.8(6) . . ?
F4 Sb1 F5 88.9(6) . . ?
F2 Sb1 F5 88.3(6) . . ?
F1 Sb1 F5 88.2(6) . . ?
F10 Sb2 F12 90.7(6) . . ?
F10 Sb2 F11 90.1(6) . . ?
F12 Sb2 F11 179.0(9) . . ?
F10 Sb2 F8 179.2(8) . . ?
F12 Sb2 F8 90.0(6) . . ?
F11 Sb2 F8 89.2(6) . . ?
F10 Sb2 F9 89.9(6) . . ?
F12 Sb2 F9 89.4(7) . . ?
F11 Sb2 F9 90.0(7) . . ?
F8 Sb2 F9 89.8(6) . . ?
F10 Sb2 F7 90.0(6) . . ?
F12 Sb2 F7 111(2) . . ?
F11 Sb2 F7 69.3(19) . . ?
F8 Sb2 F7 90.0(6) . . ?
F9 Sb2 F7 159.2(19) . . ?
C4 C5 P2 111.6(10) . . ?
C5 C4 P3 115.7(10) . 2 ?
C16 P3 C22 106.0(7) . . ?
C16 P3 C4 108.1(7) . 2 ?
C22 P3 C4 106.8(8) . 2 ?
C16 P3 Au3 111.9(5) . . ?
C22 P3 Au3 116.3(6) . . ?
C4 P3 Au3 107.3(5) 2 . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P1 Au1 Au2 P2 50.46(15) . . . . ?
S1 Au1 Au2 P2 -133.78(17) . . . . ?
Au1 Au1 Au2 P2 -101.36(12) 2_655 . . . ?
P1 Au1 Au2 S2 -127.87(17) . . . . ?
S1 Au1 Au2 S2 47.90(18) . . . . ?
Au1 Au1 Au2 S2 80.31(15) 2_655 . . . ?
P1 Au1 Au2 Au3 -69.91(12) . . . . ?
S1 Au1 Au2 Au3 105.86(14) . . . . ?
Au1 Au1 Au2 Au3 138.27(6) 2_655 . . . ?
P2 Au2 Au3 P3 113.51(16) . . . . ?
S2 Au2 Au3 P3 -67.2(2) . . . . ?
Au1 Au2 Au3 P3 -128.23(13) . . . . ?
P2 Au2 Au3 S3 -71.71(17) . . . . ?
S2 Au2 Au3 S3 107.63(19) . . . . ?
Au1 Au2 Au3 S3 46.55(13) . . . . ?
P2 Au2 Au3 Au3 -1.88(11) . . . 2 ?
S2 Au2 Au3 Au3 177.46(15) . . . 2 ?
Au1 Au2 Au3 Au3 116.38(4) . . . 2 ?
P1 Au1 S1 C3 35(2) . . . . ?
Au2 Au1 S1 C3 -49.8(5) . . . . ?
Au1 Au1 S1 C3 146.1(6) 2_655 . . . ?
P2 Au2 S2 C3 -172(5) . . . . ?
Au1 Au2 S2 C3 -41.4(6) . . . . ?
Au3 Au2 S2 C3 171.2(6) . . . . ?
P3 Au3 S3 C40 -45.0(13) . . . . ?
Au3 Au3 S3 C40 53.9(4) 2 . . . ?
Au2 Au3 S3 C40 175.3(4) . . . . ?
S1 Au1 P1 C28 16(2) . . . . ?
Au2 Au1 P1 C28 100.8(7) . . . . ?
Au1 Au1 P1 C28 -93.3(7) 2_655 . . . ?
S1 Au1 P1 C10 137(2) . . . . ?
Au2 Au1 P1 C10 -138.0(6) . . . . ?
Au1 Au1 P1 C10 27.9(6) 2_655 . . . ?
S1 Au1 P1 C1 -101(2) . . . . ?
Au2 Au1 P1 C1 -16.6(5) . . . . ?
Au1 Au1 P1 C1 149.3(5) 2_655 . . . ?
S2 Au2 P2 C34 -142(5) . . . . ?
Au1 Au2 P2 C34 88.1(5) . . . . ?
Au3 Au2 P2 C34 -124.8(5) . . . . ?
S2 Au2 P2 C5 -19(5) . . . . ?
Au1 Au2 P2 C5 -149.0(5) . . . . ?
Au3 Au2 P2 C5 -2.0(6) . . . . ?
S2 Au2 P2 C2 100(5) . . . . ?
Au1 Au2 P2 C2 -30.5(6) . . . . ?
Au3 Au2 P2 C2 116.6(6) . . . . ?
C28 P1 C1 C2 -174.3(11) . . . . ?
C10 P1 C1 C2 74.2(12) . . . . ?
Au1 P1 C1 C2 -53.5(11) . . . . ?
P1 C1 C2 P2 99.2(11) . . . . ?
C34 P2 C2 C1 -162.4(11) . . . . ?
C5 P2 C2 C1 85.8(12) . . . . ?
Au2 P2 C2 C1 -37.4(12) . . . . ?
C8 N1 C3 S2 -170.1(16) . . . . ?
C6 N1 C3 S2 7(2) . . . . ?
C8 N1 C3 S1 6(2) . . . . ?
C6 N1 C3 S1 -176.7(14) . . . . ?
Au2 S2 C3 N1 -170.6(12) . . . . ?
Au2 S2 C3 S1 13.7(13) . . . . ?
Au1 S1 C3 N1 -142.0(13) . . . . ?
Au1 S1 C3 S2 33.6(12) . . . . ?
C3 N1 C6 C7 -96(2) . . . . ?
C8 N1 C6 C7 81(2) . . . . ?
C3 N1 C8 C9 -96(2) . . . . ?
C6 N1 C8 C9 87(2) . . . . ?
C28 P1 C10 C11 -104.7(15) . . . . ?
C1 P1 C10 C11 6.4(16) . . . . ?
Au1 P1 C10 C11 131.4(13) . . . . ?
C28 P1 C10 C15 79.2(15) . . . . ?
C1 P1 C10 C15 -169.7(14) . . . . ?
Au1 P1 C10 C15 -44.8(15) . . . . ?
C15 C10 C11 C12 0(3) . . . . ?
P1 C10 C11 C12 -176.1(15) . . . . ?
C10 C11 C12 C13 -8(3) . . . . ?
C11 C12 C13 C14 12(4) . . . . ?
C12 C13 C14 C15 -7(4) . . . . ?
C13 C14 C15 C10 -2(4) . . . . ?
C11 C10 C15 C14 5(3) . . . . ?
P1 C10 C15 C14 -178.7(19) . . . . ?
C21 C16 C17 C18 0(3) . . . . ?
P3 C16 C17 C18 178.9(16) . . . . ?
C16 C17 C18 C19 6(3) . . . . ?
C17 C18 C19 C20 -6(3) . . . . ?
C18 C19 C20 C21 -1(3) . . . . ?
C19 C20 C21 C16 7(3) . . . . ?
C17 C16 C21 C20 -6(3) . . . . ?
P3 C16 C21 C20 174.6(14) . . . . ?
C27 C22 C23 C24 0(3) . . . . ?
P3 C22 C23 C24 -175(2) . . . . ?
C22 C23 C24 C25 -1(4) . . . . ?
C23 C24 C25 C26 -3(4) . . . . ?
C24 C25 C26 C27 7(3) . . . . ?
C25 C26 C27 C22 -8(3) . . . . ?
C23 C22 C27 C26 5(3) . . . . ?
P3 C22 C27 C26 -179.8(17) . . . . ?
C10 P1 C28 C33 8(2) . . . . ?
C1 P1 C28 C33 -104(2) . . . . ?
Au1 P1 C28 C33 135(2) . . . . ?
C10 P1 C28 C29 -167.3(16) . . . . ?
C1 P1 C28 C29 81.5(17) . . . . ?
Au1 P1 C28 C29 -40.0(18) . . . . ?
C33 C28 C29 C30 4(3) . . . . ?
P1 C28 C29 C30 179.5(17) . . . . ?
C28 C29 C30 C31 0(3) . . . . ?
C29 C30 C31 C32 -7(4) . . . . ?
C30 C31 C32 C33 10(5) . . . . ?
C31 C32 C33 C28 -6(5) . . . . ?
C29 C28 C33 C32 -2(4) . . . . ?
P1 C28 C33 C32 -177(3) . . . . ?
C5 P2 C34 C39 50.8(15) . . . . ?
C2 P2 C34 C39 -60.0(15) . . . . ?
Au2 P2 C34 C39 177.3(12) . . . . ?
C5 P2 C34 C35 -131.2(15) . . . . ?
C2 P2 C34 C35 118.0(15) . . . . ?
Au2 P2 C34 C35 -4.7(16) . . . . ?
C39 C34 C35 C36 5(3) . . . . ?
P2 C34 C35 C36 -173.2(17) . . . . ?
C34 C35 C36 C37 -10(4) . . . . ?
C35 C36 C37 C38 14(4) . . . . ?
C36 C37 C38 C39 -13(4) . . . . ?
C35 C34 C39 C38 -4(3) . . . . ?
P2 C34 C39 C38 174.5(17) . . . . ?
C37 C38 C39 C34 7(3) . . . . ?
C41 N2 C40 S3 175.4(11) . . . 2 ?
C41 N2 C40 S3 -4.6(11) 2 . . 2 ?
C41 N2 C40 S3 -4.6(11) . . . . ?
C41 N2 C40 S3 175.4(11) 2 . . . ?
Au3 S3 C40 N2 151.62(12) . . . . ?
Au3 S3 C40 S3 -28.38(12) . . . 2 ?
C40 N2 C41 C42 91.6(17) . . . . ?
C41 N2 C41 C42 -88.4(17) 2 . . . ?
C34 P2 C5 C4 56.7(11) . . . . ?
C2 P2 C5 C4 166.8(10) . . . . ?
Au2 P2 C5 C4 -70.9(10) . . . . ?
P2 C5 C4 P3 161.9(7) . . . 2 ?
C17 C16 P3 C22 -10.0(16) . . . . ?
C21 C16 P3 C22 169.3(13) . . . . ?
C17 C16 P3 C4 104.3(15) . . . 2 ?
C21 C16 P3 C4 -76.4(15) . . . 2 ?
C17 C16 P3 Au3 -137.7(13) . . . . ?
C21 C16 P3 Au3 41.5(14) . . . . ?
C27 C22 P3 C16 -92.1(15) . . . . ?
C23 C22 P3 C16 83.0(17) . . . . ?
C27 C22 P3 C4 152.7(14) . . . 2 ?
C23 C22 P3 C4 -32.2(18) . . . 2 ?
C27 C22 P3 Au3 33.0(16) . . . . ?
C23 C22 P3 Au3 -152.0(15) . . . . ?
S3 Au3 P3 C16 -54.7(12) . . . . ?
Au3 Au3 P3 C16 -152.0(5) 2 . . . ?
Au2 Au3 P3 C16 83.5(5) . . . . ?
S3 Au3 P3 C22 -176.7(11) . . . . ?
Au3 Au3 P3 C22 85.9(6) 2 . . . ?
Au2 Au3 P3 C22 -38.5(6) . . . . ?
S3 Au3 P3 C4 63.8(13) . . . 2 ?
Au3 Au3 P3 C4 -33.6(6) 2 . . 2 ?
Au2 Au3 P3 C4 -158.0(5) . . . 2 ?

_diffrn_measured_fraction_theta_max 0.987
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.987
_refine_diff_density_max         3.662
_refine_diff_density_min         -2.007
_refine_diff_density_rms         0.251
