# Electronic Supplementary Material (ESI) for RSC Chemical Biology.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# 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_m21265
_database_code_depnum_ccdc_archive 'CCDC 2253712'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2023-04-03 deposited with the CCDC.	2023-05-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3

_shelx_SHELXL_version_number     2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H44 Au N4, F6 Sb'
_chemical_formula_sum            'C39 H44 Au F6 N4 Sb'
_chemical_formula_weight         1001.50

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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   8.8234(2)
_cell_length_b                   27.2096(5)
_cell_length_c                   15.8345(3)
_cell_angle_alpha                90
_cell_angle_beta                 91.585(1)
_cell_angle_gamma                90
_cell_volume                     3800.11(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9816
_cell_measurement_theta_min      2.68
_cell_measurement_theta_max      27.49

_exptl_crystal_description       'cut rod'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_F_000             1960
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    4.630
_shelx_estimated_absorpt_T_min   0.607
_shelx_estimated_absorpt_T_max   0.738
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.615
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            52859
_diffrn_reflns_av_unetI/netI     0.0318
_diffrn_reflns_av_R_equivalents  0.0367
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_k_max       35
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         1.974
_diffrn_reflns_theta_max         27.516
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999

_reflns_number_total             8745
_reflns_number_gt                7887
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2009) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0025P)²+1.8164P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.00032(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8745
_refine_ls_number_parameters     495
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0224
_refine_ls_R_factor_gt           0.0184
_refine_ls_wR_factor_ref         0.0399
_refine_ls_wR_factor_gt          0.0388
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.036
_refine_ls_shift/su_max          0.002
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.62485(2) 0.58407(2) 0.78294(2) 0.01226(4) Uani 0.9945(4) 1 d . . P A 1
Au1' Au 0.604(2) 0.6040(9) 0.8050(13) 0.01226(4) Uani 0.0055(4) 1 d . . P A 2
N1 N 0.5357(2) 0.51590(6) 0.82014(11) 0.0151(4) Uani 1 1 d . . . . .
N2 N 0.4528(2) 0.59422(7) 0.91826(12) 0.0203(4) Uani 1 1 d . . . . .
N3 N 0.81269(19) 0.62910(6) 0.65332(11) 0.0126(4) Uani 1 1 d . . . . .
N4 N 0.7505(2) 0.68549(6) 0.74076(11) 0.0138(4) Uani 1 1 d . . . . .
C1 C 0.4299(2) 0.50915(8) 0.88042(13) 0.0157(4) Uani 1 1 d . . . . .
C2 C 0.3863(2) 0.55048(8) 0.93183(14) 0.0178(5) Uani 1 1 d . . . . .
C3 C 0.5800(3) 0.47703(8) 0.77529(14) 0.0195(5) Uani 1 1 d . . . . .
H3 H 0.655308 0.481600 0.734294 0.023 Uiso 1 1 calc R U . . .
C4 C 0.5203(3) 0.43014(9) 0.78619(15) 0.0247(5) Uani 1 1 d . . . . .
H4 H 0.555430 0.403211 0.753961 0.030 Uiso 1 1 calc R U . . .
C5 C 0.4097(3) 0.42361(8) 0.84431(16) 0.0254(6) Uani 1 1 d . . . . .
H5 H 0.364954 0.392172 0.851295 0.031 Uiso 1 1 calc R U . . .
C6 C 0.3633(3) 0.46303(8) 0.89299(15) 0.0212(5) Uani 1 1 d . . . . .
C7 C 0.2504(3) 0.45789(10) 0.95593(16) 0.0290(6) Uani 1 1 d . . . . .
H7 H 0.203465 0.426851 0.963702 0.035 Uiso 1 1 calc R U . . .
C8 C 0.2098(3) 0.49593(10) 1.00392(16) 0.0303(6) Uani 1 1 d . . . . .
H8 H 0.135334 0.491327 1.045391 0.036 Uiso 1 1 calc R U . . .
C9 C 0.2766(3) 0.54338(9) 0.99384(14) 0.0224(5) Uani 1 1 d . . . . .
C10 C 0.2366(3) 0.58416(10) 1.04259(15) 0.0301(6) Uani 1 1 d . . . . .
H10 H 0.162978 0.581022 1.084921 0.036 Uiso 1 1 calc R U . . .
C11 C 0.3041(3) 0.62821(10) 1.02871(15) 0.0297(6) Uani 1 1 d . . . . .
H11 H 0.278120 0.656171 1.061209 0.036 Uiso 1 1 calc R U . . .
C12 C 0.4121(3) 0.63195(9) 0.96607(15) 0.0259(5) Uani 1 1 d . . . . .
H12 H 0.458773 0.662920 0.957224 0.031 Uiso 1 1 calc R U . . .
C13 C 0.7331(2) 0.63696(7) 0.72396(13) 0.0127(4) Uani 1 1 d . . . . .
C14 C 0.8790(2) 0.67212(8) 0.62614(14) 0.0164(4) Uani 1 1 d . . . . .
H14 H 0.940148 0.675995 0.578159 0.020 Uiso 1 1 calc R U . . .
C15 C 0.8399(2) 0.70739(8) 0.68087(14) 0.0169(5) Uani 1 1 d . . . . .
H15 H 0.868364 0.741031 0.678847 0.020 Uiso 1 1 calc R U . . .
C16 C 0.8260(2) 0.58093(7) 0.61504(13) 0.0139(4) Uani 1 1 d . . . . .
C17 C 0.9284(2) 0.54773(8) 0.65207(13) 0.0155(4) Uani 1 1 d . . . . .
C18 C 0.9278(3) 0.50003(8) 0.61980(14) 0.0191(5) Uani 1 1 d . . . . .
H18 H 0.994767 0.476162 0.643746 0.023 Uiso 1 1 calc R U . . .
C19 C 0.8311(3) 0.48711(8) 0.55352(15) 0.0237(5) Uani 1 1 d . . . . .
H19 H 0.830389 0.454225 0.533343 0.028 Uiso 1 1 calc R U . . .
C20 C 0.7358(3) 0.52130(8) 0.51631(14) 0.0217(5) Uani 1 1 d . . . . .
H20 H 0.672226 0.511883 0.469680 0.026 Uiso 1 1 calc R U . . .
C21 C 0.7308(2) 0.56958(8) 0.54591(14) 0.0167(4) Uani 1 1 d . . . . .
C22 C 0.6221(3) 0.60697(8) 0.50698(14) 0.0188(5) Uani 1 1 d . . . . .
H22 H 0.667641 0.640347 0.515089 0.023 Uiso 1 1 calc R U . . .
C23 C 0.4703(3) 0.60600(9) 0.55198(15) 0.0234(5) Uani 1 1 d . . . . .
H23A H 0.402771 0.631131 0.527504 0.035 Uiso 1 1 calc R U . . .
H23B H 0.487833 0.612697 0.612278 0.035 Uiso 1 1 calc R U . . .
H23C H 0.423475 0.573553 0.544917 0.035 Uiso 1 1 calc R U . . .
C24 C 0.5937(3) 0.59902(10) 0.41238(15) 0.0302(6) Uani 1 1 d . . . . .
H24A H 0.536532 0.626926 0.388755 0.045 Uiso 1 1 calc R U . . .
H24B H 0.535360 0.568731 0.403361 0.045 Uiso 1 1 calc R U . . .
H24C H 0.690953 0.596300 0.384334 0.045 Uiso 1 1 calc R U . . .
C25 C 1.0380(2) 0.56175(8) 0.72337(14) 0.0166(5) Uani 1 1 d . . . . .
H25 H 1.023799 0.597446 0.735925 0.020 Uiso 1 1 calc R U . . .
C26 C 1.0071(3) 0.53273(9) 0.80338(14) 0.0220(5) Uani 1 1 d . . . . .
H26A H 0.902938 0.538807 0.820535 0.033 Uiso 1 1 calc R U . . .
H26B H 1.078043 0.543137 0.848646 0.033 Uiso 1 1 calc R U . . .
H26C H 1.020642 0.497572 0.792429 0.033 Uiso 1 1 calc R U . . .
C27 C 1.2015(3) 0.55405(10) 0.69675(16) 0.0268(6) Uani 1 1 d . . . . .
H27A H 1.220380 0.518872 0.688951 0.040 Uiso 1 1 calc R U . . .
H27B H 1.271155 0.566927 0.740681 0.040 Uiso 1 1 calc R U . . .
H27C H 1.217870 0.571426 0.643559 0.040 Uiso 1 1 calc R U . . .
C28 C 0.6769(3) 0.71165(8) 0.80788(14) 0.0164(4) Uani 1 1 d . . . . .
C29 C 0.7589(3) 0.72034(8) 0.88353(14) 0.0201(5) Uani 1 1 d . . . . .
C30 C 0.6838(3) 0.74666(9) 0.94541(15) 0.0282(6) Uani 1 1 d . . . . .
H30 H 0.734402 0.753055 0.997997 0.034 Uiso 1 1 calc R U . . .
C31 C 0.5380(3) 0.76358(9) 0.93200(17) 0.0319(6) Uani 1 1 d . . . . .
H31 H 0.490069 0.781587 0.975179 0.038 Uiso 1 1 calc R U . . .
C32 C 0.4611(3) 0.75472(8) 0.85680(16) 0.0277(6) Uani 1 1 d . . . . .
H32 H 0.360644 0.766705 0.848446 0.033 Uiso 1 1 calc R U . . .
C33 C 0.5296(3) 0.72821(8) 0.79260(15) 0.0207(5) Uani 1 1 d . . . . .
C34 C 0.4433(3) 0.71935(9) 0.70984(16) 0.0266(5) Uani 1 1 d . . . . .
H34 H 0.508615 0.698580 0.673547 0.032 Uiso 1 1 calc R U . . .
C35 C 0.4131(3) 0.76738(10) 0.66326(18) 0.0393(7) Uani 1 1 d . . . . .
H35A H 0.361014 0.760544 0.609069 0.059 Uiso 1 1 calc R U . . .
H35B H 0.509555 0.783955 0.653194 0.059 Uiso 1 1 calc R U . . .
H35C H 0.349343 0.788584 0.697493 0.059 Uiso 1 1 calc R U . . .
C36 C 0.2968(3) 0.69104(11) 0.72397(19) 0.0395(7) Uani 1 1 d . . . . .
H36A H 0.246919 0.683788 0.669306 0.059 Uiso 1 1 calc R U . . .
H36B H 0.229082 0.710958 0.758114 0.059 Uiso 1 1 calc R U . . .
H36C H 0.320205 0.660217 0.753546 0.059 Uiso 1 1 calc R U . . .
C37 C 0.9174(3) 0.70077(8) 0.89781(15) 0.0256(5) Uani 1 1 d . . . . .
H37 H 0.966513 0.699085 0.841717 0.031 Uiso 1 1 calc R U . . .
C38 C 0.9105(4) 0.64853(9) 0.9333(2) 0.0444(8) Uani 1 1 d . . . . .
H38A H 0.841888 0.628586 0.897648 0.067 Uiso 1 1 calc R U . . .
H38B H 0.873021 0.649564 0.990941 0.067 Uiso 1 1 calc R U . . .
H38C H 1.012132 0.633995 0.933971 0.067 Uiso 1 1 calc R U . . .
C39 C 1.0176(3) 0.73277(9) 0.95637(17) 0.0333(6) Uani 1 1 d . . . . .
H39A H 1.123318 0.722032 0.953217 0.050 Uiso 1 1 calc R U . . .
H39B H 0.984093 0.729516 1.014592 0.050 Uiso 1 1 calc R U . . .
H39C H 1.009425 0.767210 0.938696 0.050 Uiso 1 1 calc R U . . .
Sb1 Sb 0.01291(4) 0.35323(2) 0.73431(4) 0.02510(8) Uani 0.929(2) 1 d D . P B 1
F1 F 0.2028(2) 0.32402(7) 0.74614(14) 0.0474(6) Uani 0.929(2) 1 d D . P B 1
F2 F -0.1763(2) 0.38274(10) 0.7277(2) 0.0850(9) Uani 0.929(2) 1 d D . P B 1
F3 F -0.0063(3) 0.34763(11) 0.85051(13) 0.0841(9) Uani 0.929(2) 1 d D . P B 1
F4 F 0.0315(3) 0.35885(8) 0.61878(12) 0.0664(7) Uani 0.929(2) 1 d D . P B 1
F5 F -0.0750(2) 0.29115(7) 0.72125(14) 0.0515(6) Uani 0.929(2) 1 d D . P B 1
F6 F 0.1051(2) 0.41465(6) 0.74708(16) 0.0580(7) Uani 0.929(2) 1 d D . P B 1
Sb1' Sb -0.0033(6) 0.35107(17) 0.7584(4) 0.02510(8) Uani 0.071(2) 1 d D . P B 2
F1' F 0.1900(16) 0.3259(9) 0.7776(16) 0.0474(6) Uani 0.071(2) 1 d D . P B 2
F2' F -0.1994(15) 0.3748(10) 0.7427(19) 0.0850(9) Uani 0.071(2) 1 d D . P B 2
F3' F -0.064(3) 0.3168(8) 0.8526(10) 0.0841(9) Uani 0.071(2) 1 d D . P B 2
F4' F 0.057(3) 0.3847(8) 0.6628(10) 0.0664(7) Uani 0.071(2) 1 d D . P B 2
F5' F -0.054(3) 0.2967(6) 0.6916(12) 0.0515(6) Uani 0.071(2) 1 d D . P B 2
F6' F 0.048(3) 0.4060(5) 0.8220(13) 0.0580(7) Uani 0.071(2) 1 d D . P B 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
Au1 C13 1.976(2) . ?
Au1 N1 2.1050(17) . ?
Au1' C13 1.957(16) . ?
Au1' N2 2.28(2) . ?
Au1' N1 2.48(2) . ?
N1 C3 1.338(3) . ?
N1 C1 1.366(3) . ?
N2 C12 1.331(3) . ?
N2 C2 1.347(3) . ?
N3 C13 1.354(3) . ?
N3 C14 1.382(3) . ?
N3 C16 1.450(3) . ?
N4 C13 1.355(3) . ?
N4 C15 1.385(3) . ?
N4 C28 1.448(3) . ?
C1 C6 1.402(3) . ?
C1 C2 1.447(3) . ?
C2 C9 1.411(3) . ?
C3 C4 1.393(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.371(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.435(3) . ?
C7 C8 1.339(4) . ?
C7 H7 0.9500 . ?
C8 C9 1.430(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.402(4) . ?
C10 C11 1.359(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.398(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C14 C15 1.344(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.395(3) . ?
C16 C21 1.396(3) . ?
C17 C18 1.395(3) . ?
C17 C25 1.515(3) . ?
C18 C19 1.379(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.376(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.396(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.518(3) . ?
C22 C24 1.527(3) . ?
C22 C23 1.534(3) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.524(3) . ?
C25 C27 1.529(3) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C33 1.391(3) . ?
C28 C29 1.402(3) . ?
C29 C30 1.396(3) . ?
C29 C37 1.508(3) . ?
C30 C31 1.377(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.376(4) . ?
C31 H31 0.9500 . ?
C32 C33 1.397(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.517(3) . ?
C34 C35 1.520(4) . ?
C34 C36 1.527(4) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.530(3) . ?
C37 C39 1.535(3) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
Sb1 F4 1.8476(19) . ?
Sb1 F2 1.8532(19) . ?
Sb1 F3 1.859(2) . ?
Sb1 F1 1.8595(16) . ?
Sb1 F6 1.8671(17) . ?
Sb1 F5 1.8676(17) . ?
Sb1' F6' 1.853(8) . ?
Sb1' F3' 1.853(9) . ?
Sb1' F1' 1.855(8) . ?
Sb1' F4' 1.857(8) . ?
Sb1' F2' 1.857(8) . ?
Sb1' F5' 1.865(8) . ?

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
C13 Au1 N1 164.39(8) . . ?
C13 Au1' N2 158.9(15) . . ?
C13 Au1' N1 130.8(14) . . ?
N2 Au1' N1 70.3(4) . . ?
C3 N1 C1 118.65(19) . . ?
C3 N1 Au1 115.55(14) . . ?
C1 N1 Au1 125.59(15) . . ?
C3 N1 Au1' 129.5(6) . . ?
C1 N1 Au1' 111.7(6) . . ?
C12 N2 C2 117.7(2) . . ?
C12 N2 Au1' 122.1(7) . . ?
C2 N2 Au1' 119.7(7) . . ?
C13 N3 C14 110.91(17) . . ?
C13 N3 C16 122.55(17) . . ?
C14 N3 C16 126.52(17) . . ?
C13 N4 C15 110.40(17) . . ?
C13 N4 C28 124.92(17) . . ?
C15 N4 C28 124.52(17) . . ?
N1 C1 C6 121.1(2) . . ?
N1 C1 C2 119.09(19) . . ?
C6 C1 C2 119.77(19) . . ?
N2 C2 C9 122.8(2) . . ?
N2 C2 C1 118.26(19) . . ?
C9 C2 C1 118.9(2) . . ?
N1 C3 C4 122.8(2) . . ?
N1 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
C5 C4 C3 118.7(2) . . ?
C5 C4 H4 120.6 . . ?
C3 C4 H4 120.6 . . ?
C4 C5 C6 119.9(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 118.7(2) . . ?
C5 C6 C7 122.1(2) . . ?
C1 C6 C7 119.2(2) . . ?
C8 C7 C6 121.4(2) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C7 C8 C9 121.2(2) . . ?
C7 C8 H8 119.4 . . ?
C9 C8 H8 119.4 . . ?
C10 C9 C2 117.6(2) . . ?
C10 C9 C8 122.8(2) . . ?
C2 C9 C8 119.6(2) . . ?
C11 C10 C9 119.4(2) . . ?
C11 C10 H10 120.3 . . ?
C9 C10 H10 120.3 . . ?
C10 C11 C12 119.3(2) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
N2 C12 C11 123.2(2) . . ?
N2 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
N3 C13 N4 104.92(17) . . ?
N3 C13 Au1' 142.5(9) . . ?
N4 C13 Au1' 112.5(9) . . ?
N3 C13 Au1 122.94(15) . . ?
N4 C13 Au1 132.12(15) . . ?
C15 C14 N3 106.60(18) . . ?
C15 C14 H14 126.7 . . ?
N3 C14 H14 126.7 . . ?
C14 C15 N4 107.17(18) . . ?
C14 C15 H15 126.4 . . ?
N4 C15 H15 126.4 . . ?
C17 C16 C21 123.70(19) . . ?
C17 C16 N3 117.95(19) . . ?
C21 C16 N3 118.27(19) . . ?
C16 C17 C18 116.9(2) . . ?
C16 C17 C25 122.87(19) . . ?
C18 C17 C25 120.2(2) . . ?
C19 C18 C17 120.8(2) . . ?
C19 C18 H18 119.6 . . ?
C17 C18 H18 119.6 . . ?
C20 C19 C18 120.7(2) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C19 C20 C21 121.1(2) . . ?
C19 C20 H20 119.4 . . ?
C21 C20 H20 119.4 . . ?
C16 C21 C20 116.6(2) . . ?
C16 C21 C22 122.03(19) . . ?
C20 C21 C22 121.3(2) . . ?
C21 C22 C24 112.83(19) . . ?
C21 C22 C23 110.48(18) . . ?
C24 C22 C23 109.4(2) . . ?
C21 C22 H22 108.0 . . ?
C24 C22 H22 108.0 . . ?
C23 C22 H22 108.0 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C17 C25 C26 111.36(18) . . ?
C17 C25 C27 110.37(18) . . ?
C26 C25 C27 110.47(19) . . ?
C17 C25 H25 108.2 . . ?
C26 C25 H25 108.2 . . ?
C27 C25 H25 108.2 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C33 C28 C29 123.5(2) . . ?
C33 C28 N4 117.89(19) . . ?
C29 C28 N4 118.6(2) . . ?
C30 C29 C28 116.3(2) . . ?
C30 C29 C37 122.2(2) . . ?
C28 C29 C37 121.5(2) . . ?
C31 C30 C29 121.5(2) . . ?
C31 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C32 C31 C30 120.8(2) . . ?
C32 C31 H31 119.6 . . ?
C30 C31 H31 119.6 . . ?
C31 C32 C33 120.5(2) . . ?
C31 C32 H32 119.8 . . ?
C33 C32 H32 119.8 . . ?
C28 C33 C32 117.5(2) . . ?
C28 C33 C34 122.9(2) . . ?
C32 C33 C34 119.6(2) . . ?
C33 C34 C35 111.1(2) . . ?
C33 C34 C36 111.1(2) . . ?
C35 C34 C36 111.5(2) . . ?
C33 C34 H34 107.6 . . ?
C35 C34 H34 107.6 . . ?
C36 C34 H34 107.6 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C29 C37 C38 109.7(2) . . ?
C29 C37 C39 114.0(2) . . ?
C38 C37 C39 109.5(2) . . ?
C29 C37 H37 107.8 . . ?
C38 C37 H37 107.8 . . ?
C39 C37 H37 107.8 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
F4 Sb1 F2 90.76(13) . . ?
F4 Sb1 F3 179.87(13) . . ?
F2 Sb1 F3 89.11(13) . . ?
F4 Sb1 F1 91.75(10) . . ?
F2 Sb1 F1 177.42(12) . . ?
F3 Sb1 F1 88.38(10) . . ?
F4 Sb1 F6 89.01(10) . . ?
F2 Sb1 F6 90.41(10) . . ?
F3 Sb1 F6 91.00(12) . . ?
F1 Sb1 F6 89.04(9) . . ?
F4 Sb1 F5 90.76(9) . . ?
F2 Sb1 F5 90.86(10) . . ?
F3 Sb1 F5 89.23(11) . . ?
F1 Sb1 F5 89.69(9) . . ?
F6 Sb1 F5 178.70(9) . . ?
F6' Sb1' F3' 92.4(8) . . ?
F6' Sb1' F1' 89.8(7) . . ?
F3' Sb1' F1' 88.2(7) . . ?
F6' Sb1' F4' 88.5(7) . . ?
F3' Sb1' F4' 179.1(9) . . ?
F1' Sb1' F4' 92.0(7) . . ?
F6' Sb1' F2' 90.4(8) . . ?
F3' Sb1' F2' 89.5(8) . . ?
F1' Sb1' F2' 177.7(9) . . ?
F4' Sb1' F2' 90.3(8) . . ?
F6' Sb1' F5' 178.4(8) . . ?
F3' Sb1' F5' 89.2(7) . . ?
F1' Sb1' F5' 90.3(7) . . ?
F4' Sb1' F5' 89.9(7) . . ?
F2' Sb1' F5' 89.6(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
C3 N1 C1 C6 -2.9(3) . . . . ?
Au1 N1 C1 C6 171.60(16) . . . . ?
Au1' N1 C1 C6 173.1(4) . . . . ?
C3 N1 C1 C2 177.26(19) . . . . ?
Au1 N1 C1 C2 -8.3(3) . . . . ?
Au1' N1 C1 C2 -6.8(5) . . . . ?
C12 N2 C2 C9 0.1(3) . . . . ?
Au1' N2 C2 C9 -171.7(5) . . . . ?
C12 N2 C2 C1 -179.8(2) . . . . ?
Au1' N2 C2 C1 8.4(6) . . . . ?
N1 C1 C2 N2 -0.3(3) . . . . ?
C6 C1 C2 N2 179.8(2) . . . . ?
N1 C1 C2 C9 179.8(2) . . . . ?
C6 C1 C2 C9 -0.1(3) . . . . ?
C1 N1 C3 C4 1.5(3) . . . . ?
Au1 N1 C3 C4 -173.54(18) . . . . ?
Au1' N1 C3 C4 -173.6(5) . . . . ?
N1 C3 C4 C5 1.1(4) . . . . ?
C3 C4 C5 C6 -2.2(3) . . . . ?
C4 C5 C6 C1 0.9(3) . . . . ?
C4 C5 C6 C7 -178.6(2) . . . . ?
N1 C1 C6 C5 1.7(3) . . . . ?
C2 C1 C6 C5 -178.4(2) . . . . ?
N1 C1 C6 C7 -178.8(2) . . . . ?
C2 C1 C6 C7 1.1(3) . . . . ?
C5 C6 C7 C8 178.2(2) . . . . ?
C1 C6 C7 C8 -1.4(3) . . . . ?
C6 C7 C8 C9 0.5(4) . . . . ?
N2 C2 C9 C10 0.1(3) . . . . ?
C1 C2 C9 C10 -179.9(2) . . . . ?
N2 C2 C9 C8 179.3(2) . . . . ?
C1 C2 C9 C8 -0.7(3) . . . . ?
C7 C8 C9 C10 179.7(2) . . . . ?
C7 C8 C9 C2 0.5(4) . . . . ?
C2 C9 C10 C11 -0.2(3) . . . . ?
C8 C9 C10 C11 -179.4(2) . . . . ?
C9 C10 C11 C12 0.0(4) . . . . ?
C2 N2 C12 C11 -0.4(3) . . . . ?
Au1' N2 C12 C11 171.3(5) . . . . ?
C10 C11 C12 N2 0.3(4) . . . . ?
C14 N3 C13 N4 -0.1(2) . . . . ?
C16 N3 C13 N4 178.53(18) . . . . ?
C14 N3 C13 Au1' 178.2(8) . . . . ?
C16 N3 C13 Au1' -3.2(9) . . . . ?
C14 N3 C13 Au1 -178.96(15) . . . . ?
C16 N3 C13 Au1 -0.4(3) . . . . ?
C15 N4 C13 N3 0.1(2) . . . . ?
C28 N4 C13 N3 175.72(18) . . . . ?
C15 N4 C13 Au1' -178.8(5) . . . . ?
C28 N4 C13 Au1' -3.2(6) . . . . ?
C15 N4 C13 Au1 178.84(16) . . . . ?
C28 N4 C13 Au1 -5.5(3) . . . . ?
C13 N3 C14 C15 0.0(2) . . . . ?
C16 N3 C14 C15 -178.5(2) . . . . ?
N3 C14 C15 N4 0.0(2) . . . . ?
C13 N4 C15 C14 -0.1(2) . . . . ?
C28 N4 C15 C14 -175.73(19) . . . . ?
C13 N3 C16 C17 -78.2(3) . . . . ?
C14 N3 C16 C17 100.2(2) . . . . ?
C13 N3 C16 C21 98.8(2) . . . . ?
C14 N3 C16 C21 -82.9(3) . . . . ?
C21 C16 C17 C18 -3.4(3) . . . . ?
N3 C16 C17 C18 173.38(18) . . . . ?
C21 C16 C17 C25 175.85(19) . . . . ?
N3 C16 C17 C25 -7.4(3) . . . . ?
C16 C17 C18 C19 0.8(3) . . . . ?
C25 C17 C18 C19 -178.4(2) . . . . ?
C17 C18 C19 C20 1.7(3) . . . . ?
C18 C19 C20 C21 -1.8(3) . . . . ?
C17 C16 C21 C20 3.2(3) . . . . ?
N3 C16 C21 C20 -173.53(18) . . . . ?
C17 C16 C21 C22 -179.42(19) . . . . ?
N3 C16 C21 C22 3.8(3) . . . . ?
C19 C20 C21 C16 -0.5(3) . . . . ?
C19 C20 C21 C22 -177.9(2) . . . . ?
C16 C21 C22 C24 149.5(2) . . . . ?
C20 C21 C22 C24 -33.2(3) . . . . ?
C16 C21 C22 C23 -87.7(2) . . . . ?
C20 C21 C22 C23 89.5(3) . . . . ?
C16 C17 C25 C26 117.3(2) . . . . ?
C18 C17 C25 C26 -63.5(3) . . . . ?
C16 C17 C25 C27 -119.6(2) . . . . ?
C18 C17 C25 C27 59.6(3) . . . . ?
C13 N4 C28 C33 -83.1(3) . . . . ?
C15 N4 C28 C33 91.9(3) . . . . ?
C13 N4 C28 C29 98.9(2) . . . . ?
C15 N4 C28 C29 -86.1(3) . . . . ?
C33 C28 C29 C30 0.7(3) . . . . ?
N4 C28 C29 C30 178.60(19) . . . . ?
C33 C28 C29 C37 178.8(2) . . . . ?
N4 C28 C29 C37 -3.3(3) . . . . ?
C28 C29 C30 C31 -0.8(3) . . . . ?
C37 C29 C30 C31 -178.9(2) . . . . ?
C29 C30 C31 C32 0.4(4) . . . . ?
C30 C31 C32 C33 0.2(4) . . . . ?
C29 C28 C33 C32 -0.2(3) . . . . ?
N4 C28 C33 C32 -178.10(19) . . . . ?
C29 C28 C33 C34 178.8(2) . . . . ?
N4 C28 C33 C34 0.9(3) . . . . ?
C31 C32 C33 C28 -0.2(3) . . . . ?
C31 C32 C33 C34 -179.3(2) . . . . ?
C28 C33 C34 C35 -113.9(2) . . . . ?
C32 C33 C34 C35 65.1(3) . . . . ?
C28 C33 C34 C36 121.3(2) . . . . ?
C32 C33 C34 C36 -59.7(3) . . . . ?
C30 C29 C37 C38 91.1(3) . . . . ?
C28 C29 C37 C38 -86.9(3) . . . . ?
C30 C29 C37 C39 -32.1(3) . . . . ?
C28 C29 C37 C39 150.0(2) . . . . ?

_refine_diff_density_max         0.701
_refine_diff_density_min         -0.486
_refine_diff_density_rms         0.082

####################################################################### 
# 
# 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_m21266
_database_code_depnum_ccdc_archive 'CCDC 2253713'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2023-04-03 deposited with the CCDC.	2023-05-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3

_shelx_SHELXL_version_number     2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C41 H48 Au N4, F6 Sb'
_chemical_formula_sum            'C41 H48 Au F6 N4 Sb'
_chemical_formula_weight         1029.55

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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'

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

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   8.8257(3)
_cell_length_b                   14.2836(4)
_cell_length_c                   15.9439(4)
_cell_angle_alpha                96.561(1)
_cell_angle_beta                 90.466(1)
_cell_angle_gamma                94.096(1)
_cell_volume                     1991.4(1)
_cell_formula_units_Z            2
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9076
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      27.57

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.717
_exptl_crystal_F_000             1012
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.090
_exptl_absorpt_coefficient_mu    4.420
_shelx_estimated_absorpt_T_min   0.619
_shelx_estimated_absorpt_T_max   0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.663
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            57122
_diffrn_reflns_av_unetI/netI     0.0245
_diffrn_reflns_av_R_equivalents  0.0355
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.037
_diffrn_reflns_theta_max         27.628
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.992
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_point_group_measured_fraction_full 0.999

_reflns_number_total             9205
_reflns_number_gt                8539
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2009) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0078P)²+2.0263P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         9205
_refine_ls_number_parameters     492
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0225
_refine_ls_R_factor_gt           0.0186
_refine_ls_wR_factor_ref         0.0379
_refine_ls_wR_factor_gt          0.0367
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_restrained_S_all      1.056
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.61527(2) 0.33204(2) 0.75996(2) 0.01358(4) Uani 0.9916(7) 1 d . . P A 1
Au1' Au 0.5930(16) 0.2964(16) 0.7736(9) 0.01358(4) Uani 0.0084(7) 1 d . . P A 2
N1 N 0.5304(2) 0.46003(13) 0.81186(11) 0.0158(4) Uani 1 1 d . . . . .
N2 N 0.4464(2) 0.30778(13) 0.89404(12) 0.0190(4) Uani 1 1 d . . . . .
N3 N 0.80560(19) 0.25109(12) 0.62316(10) 0.0129(3) Uani 1 1 d . . . . .
N4 N 0.7298(2) 0.14066(12) 0.69658(11) 0.0137(4) Uani 1 1 d . . . . .
C1 C 0.4296(2) 0.47104(15) 0.87622(13) 0.0145(4) Uani 1 1 d . . . . .
C2 C 0.3837(2) 0.38992(15) 0.91933(13) 0.0155(4) Uani 1 1 d . . . . .
C3 C 0.5742(2) 0.53559(16) 0.77358(14) 0.0187(5) Uani 1 1 d . . . . .
H3 H 0.646124 0.528616 0.729683 0.022 Uiso 1 1 calc R U . . .
C4 C 0.5198(3) 0.62394(16) 0.79482(14) 0.0197(5) Uani 1 1 d . . . . .
H4 H 0.555723 0.675663 0.766091 0.024 Uiso 1 1 calc R U . . .
C5 C 0.4141(2) 0.63690(16) 0.85725(14) 0.0182(5) Uani 1 1 d . . . . .
C6 C 0.3687(2) 0.55859(15) 0.90071(13) 0.0163(4) Uani 1 1 d . . . . .
C7 C 0.2640(2) 0.56478(16) 0.96843(13) 0.0188(5) Uani 1 1 d . . . . .
H7 H 0.224568 0.623909 0.986060 0.023 Uiso 1 1 calc R U . . .
C8 C 0.2190(2) 0.48933(16) 1.00828(13) 0.0188(5) Uani 1 1 d . . . . .
H8 H 0.147834 0.496199 1.052532 0.023 Uiso 1 1 calc R U . . .
C9 C 0.2772(2) 0.39895(16) 0.98484(13) 0.0159(4) Uani 1 1 d . . . . .
C10 C 0.2334(2) 0.31787(16) 1.02538(13) 0.0185(5) Uani 1 1 d . . . . .
C11 C 0.3006(3) 0.23615(17) 0.99932(14) 0.0216(5) Uani 1 1 d . . . . .
H11 H 0.275912 0.180924 1.025874 0.026 Uiso 1 1 calc R U . . .
C12 C 0.4056(3) 0.23354(17) 0.93379(14) 0.0217(5) Uani 1 1 d . . . . .
H12 H 0.449632 0.175706 0.916984 0.026 Uiso 1 1 calc R U . . .
C13 C 0.3481(3) 0.73101(16) 0.87649(16) 0.0247(5) Uani 1 1 d . . . . .
H13A H 0.404135 0.777915 0.846020 0.037 Uiso 1 1 calc R U . . .
H13B H 0.356099 0.751034 0.937329 0.037 Uiso 1 1 calc R U . . .
H13C H 0.240990 0.725414 0.858646 0.037 Uiso 1 1 calc R U . . .
C14 C 0.1164(3) 0.32140(18) 1.09347(14) 0.0245(5) Uani 1 1 d . . . . .
H14A H 0.025822 0.348696 1.073614 0.037 Uiso 1 1 calc R U . . .
H14B H 0.158251 0.360527 1.143999 0.037 Uiso 1 1 calc R U . . .
H14C H 0.088968 0.257274 1.107183 0.037 Uiso 1 1 calc R U . . .
C15 C 0.7201(2) 0.23356(15) 0.69050(13) 0.0139(4) Uani 1 1 d . . . . .
C16 C 0.8684(2) 0.17032(15) 0.58766(13) 0.0155(4) Uani 1 1 d . . . . .
H16 H 0.932853 0.164982 0.540200 0.019 Uiso 1 1 calc R U . . .
C17 C 0.8203(2) 0.10039(16) 0.63346(13) 0.0169(4) Uani 1 1 d . . . . .
H17 H 0.843823 0.036185 0.624294 0.020 Uiso 1 1 calc R U . . .
C18 C 0.8243(2) 0.34387(15) 0.59502(13) 0.0142(4) Uani 1 1 d . . . . .
C19 C 0.9270(2) 0.41144(15) 0.63922(13) 0.0155(4) Uani 1 1 d . . . . .
C20 C 0.9312(3) 0.50292(16) 0.61675(14) 0.0202(5) Uani 1 1 d . . . . .
H20 H 0.999405 0.550729 0.645402 0.024 Uiso 1 1 calc R U . . .
C21 C 0.8371(3) 0.52496(16) 0.55307(15) 0.0218(5) Uani 1 1 d . . . . .
H21 H 0.839728 0.588032 0.539309 0.026 Uiso 1 1 calc R U . . .
C22 C 0.7394(3) 0.45621(16) 0.50937(14) 0.0200(5) Uani 1 1 d . . . . .
H22 H 0.676808 0.472514 0.465293 0.024 Uiso 1 1 calc R U . . .
C23 C 0.7309(2) 0.36336(16) 0.52879(13) 0.0162(4) Uani 1 1 d . . . . .
C24 C 0.6197(2) 0.28822(16) 0.48271(13) 0.0182(5) Uani 1 1 d . . . . .
H24 H 0.654511 0.225002 0.491856 0.022 Uiso 1 1 calc R U . . .
C25 C 0.6148(3) 0.2940(2) 0.38779(15) 0.0304(6) Uani 1 1 d . . . . .
H25A H 0.718046 0.292635 0.365687 0.046 Uiso 1 1 calc R U . . .
H25B H 0.572071 0.352960 0.376800 0.046 Uiso 1 1 calc R U . . .
H25C H 0.551295 0.240135 0.359902 0.046 Uiso 1 1 calc R U . . .
C26 C 0.4616(3) 0.29524(19) 0.51963(16) 0.0281(5) Uani 1 1 d . . . . .
H26A H 0.422907 0.355618 0.509337 0.042 Uiso 1 1 calc R U . . .
H26B H 0.466913 0.291475 0.580558 0.042 Uiso 1 1 calc R U . . .
H26C H 0.393188 0.243150 0.492725 0.042 Uiso 1 1 calc R U . . .
C27 C 1.0329(2) 0.38675(16) 0.70747(13) 0.0178(4) Uani 1 1 d . . . . .
H27 H 1.004947 0.319927 0.717566 0.021 Uiso 1 1 calc R U . . .
C28 C 1.1978(3) 0.3927(2) 0.67864(16) 0.0291(6) Uani 1 1 d . . . . .
H28A H 1.205876 0.353231 0.624635 0.044 Uiso 1 1 calc R U . . .
H28B H 1.262959 0.370327 0.721060 0.044 Uiso 1 1 calc R U . . .
H28C H 1.230099 0.458432 0.671728 0.044 Uiso 1 1 calc R U . . .
C29 C 1.0154(3) 0.44936(19) 0.79037(15) 0.0273(5) Uani 1 1 d . . . . .
H29A H 1.045941 0.515122 0.782728 0.041 Uiso 1 1 calc R U . . .
H29B H 1.079956 0.428762 0.834057 0.041 Uiso 1 1 calc R U . . .
H29C H 0.909093 0.444436 0.807635 0.041 Uiso 1 1 calc R U . . .
C30 C 0.6516(3) 0.08920(15) 0.75842(13) 0.0169(4) Uani 1 1 d . . . . .
C31 C 0.7318(3) 0.07587(16) 0.83179(14) 0.0201(5) Uani 1 1 d . . . . .
C32 C 0.6550(3) 0.02449(17) 0.88912(15) 0.0259(5) Uani 1 1 d . . . . .
H32 H 0.704705 0.014782 0.940164 0.031 Uiso 1 1 calc R U . . .
C33 C 0.5074(3) -0.01280(17) 0.87315(16) 0.0300(6) Uani 1 1 d . . . . .
H33 H 0.457224 -0.048098 0.913123 0.036 Uiso 1 1 calc R U . . .
C34 C 0.4319(3) 0.00071(17) 0.79964(16) 0.0293(6) Uani 1 1 d . . . . .
H34 H 0.330610 -0.025711 0.789539 0.035 Uiso 1 1 calc R U . . .
C35 C 0.5029(3) 0.05281(16) 0.74002(14) 0.0211(5) Uani 1 1 d . . . . .
C36 C 0.4196(3) 0.06810(18) 0.65944(16) 0.0266(5) Uani 1 1 d . . . . .
H36 H 0.488755 0.108872 0.627153 0.032 Uiso 1 1 calc R U . . .
C37 C 0.3830(3) -0.0257(2) 0.60386(18) 0.0384(7) Uani 1 1 d . . . . .
H37A H 0.337108 -0.013520 0.550371 0.058 Uiso 1 1 calc R U . . .
H37B H 0.311818 -0.066168 0.633065 0.058 Uiso 1 1 calc R U . . .
H37C H 0.476850 -0.057422 0.592598 0.058 Uiso 1 1 calc R U . . .
C38 C 0.2766(3) 0.1200(2) 0.6791(2) 0.0385(7) Uani 1 1 d . . . . .
H38A H 0.229626 0.133551 0.626292 0.058 Uiso 1 1 calc R U . . .
H38B H 0.303528 0.179470 0.714840 0.058 Uiso 1 1 calc R U . . .
H38C H 0.204704 0.080464 0.708763 0.058 Uiso 1 1 calc R U . . .
C39 C 0.8931(3) 0.11863(17) 0.84857(14) 0.0228(5) Uani 1 1 d . . . . .
H39 H 0.940276 0.126323 0.792715 0.027 Uiso 1 1 calc R U . . .
C40 C 0.8925(3) 0.21698(18) 0.89821(17) 0.0328(6) Uani 1 1 d . . . . .
H40A H 0.996519 0.246170 0.903756 0.049 Uiso 1 1 calc R U . . .
H40B H 0.851328 0.211319 0.954461 0.049 Uiso 1 1 calc R U . . .
H40C H 0.829150 0.256375 0.868175 0.049 Uiso 1 1 calc R U . . .
C41 C 0.9928(3) 0.05703(19) 0.89488(18) 0.0377(7) Uani 1 1 d . . . . .
H41A H 0.985610 -0.007420 0.865770 0.057 Uiso 1 1 calc R U . . .
H41B H 0.958036 0.055899 0.953001 0.057 Uiso 1 1 calc R U . . .
H41C H 1.098608 0.083148 0.895539 0.057 Uiso 1 1 calc R U . . .
Sb1 Sb 0.90099(2) 0.81030(2) 0.68802(2) 0.02204(4) Uani 1 1 d . . . . .
F1 F 0.81659(19) 0.84749(11) 0.79288(10) 0.0387(4) Uani 1 1 d . . . . .
F2 F 0.9834(2) 0.77169(13) 0.5830(1) 0.0455(4) Uani 1 1 d . . . . .
F3 F 1.04643(18) 0.74750(14) 0.74078(10) 0.0461(4) Uani 1 1 d . . . . .
F4 F 0.7560(2) 0.87336(11) 0.63394(11) 0.0447(4) Uani 1 1 d . . . . .
F5 F 1.0282(2) 0.92144(13) 0.69862(12) 0.0558(5) Uani 1 1 d . . . . .
F6 F 0.76992(17) 0.70099(10) 0.67836(10) 0.0342(4) 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 C15 1.977(2) . ?
Au1 N1 2.1089(18) . ?
Au1' C15 1.928(11) . ?
Au1' N2 2.320(16) . ?
Au1' N1 2.450(19) . ?
N1 C3 1.335(3) . ?
N1 C1 1.366(3) . ?
N2 C12 1.326(3) . ?
N2 C2 1.354(3) . ?
N3 C15 1.354(3) . ?
N3 C16 1.380(3) . ?
N3 C18 1.446(3) . ?
N4 C15 1.350(3) . ?
N4 C17 1.388(3) . ?
N4 C30 1.447(3) . ?
C1 C6 1.412(3) . ?
C1 C2 1.449(3) . ?
C2 C9 1.412(3) . ?
C3 C4 1.389(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.376(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.418(3) . ?
C5 C13 1.504(3) . ?
C6 C7 1.426(3) . ?
C7 C8 1.350(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.434(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.421(3) . ?
C10 C11 1.371(3) . ?
C10 C14 1.503(3) . ?
C11 C12 1.401(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C16 C17 1.350(3) . ?
C16 H16 0.9500 . ?
C17 H17 0.9500 . ?
C18 C23 1.399(3) . ?
C18 C19 1.399(3) . ?
C19 C20 1.392(3) . ?
C19 C27 1.517(3) . ?
C20 C21 1.385(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.381(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.393(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.521(3) . ?
C24 C26 1.525(3) . ?
C24 C25 1.525(3) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C29 1.524(3) . ?
C27 C28 1.529(3) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C35 1.393(3) . ?
C30 C31 1.401(3) . ?
C31 C32 1.388(3) . ?
C31 C39 1.518(3) . ?
C32 C33 1.382(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.383(4) . ?
C33 H33 0.9500 . ?
C34 C35 1.398(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.520(3) . ?
C36 C38 1.526(4) . ?
C36 C37 1.532(4) . ?
C36 H36 1.0000 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 C41 1.530(3) . ?
C39 C40 1.532(3) . ?
C39 H39 1.0000 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
Sb1 F3 1.8653(15) . ?
Sb1 F6 1.8664(14) . ?
Sb1 F5 1.8680(16) . ?
Sb1 F2 1.8718(15) . ?
Sb1 F1 1.8724(15) . ?
Sb1 F4 1.8754(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
C15 Au1 N1 164.93(8) . . ?
C15 Au1' N2 154.8(13) . . ?
C15 Au1' N1 135.1(12) . . ?
N2 Au1' N1 69.6(3) . . ?
C3 N1 C1 118.12(19) . . ?
C3 N1 Au1 115.34(14) . . ?
C1 N1 Au1 126.41(14) . . ?
C3 N1 Au1' 127.7(5) . . ?
C1 N1 Au1' 114.0(5) . . ?
C12 N2 C2 117.62(19) . . ?
C12 N2 Au1' 122.4(6) . . ?
C2 N2 Au1' 119.4(6) . . ?
C15 N3 C16 111.08(17) . . ?
C15 N3 C18 122.21(17) . . ?
C16 N3 C18 126.71(17) . . ?
C15 N4 C17 110.86(17) . . ?
C15 N4 C30 124.54(17) . . ?
C17 N4 C30 124.55(18) . . ?
N1 C1 C6 121.73(19) . . ?
N1 C1 C2 118.56(19) . . ?
C6 C1 C2 119.71(19) . . ?
N2 C2 C9 122.9(2) . . ?
N2 C2 C1 117.46(19) . . ?
C9 C2 C1 119.65(19) . . ?
N1 C3 C4 123.2(2) . . ?
N1 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
C5 C4 C3 120.3(2) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 C6 117.8(2) . . ?
C4 C5 C13 120.3(2) . . ?
C6 C5 C13 122.0(2) . . ?
C1 C6 C5 118.8(2) . . ?
C1 C6 C7 118.6(2) . . ?
C5 C6 C7 122.6(2) . . ?
C8 C7 C6 122.1(2) . . ?
C8 C7 H7 118.9 . . ?
C6 C7 H7 118.9 . . ?
C7 C8 C9 121.0(2) . . ?
C7 C8 H8 119.5 . . ?
C9 C8 H8 119.5 . . ?
C2 C9 C10 118.3(2) . . ?
C2 C9 C8 118.9(2) . . ?
C10 C9 C8 122.8(2) . . ?
C11 C10 C9 117.4(2) . . ?
C11 C10 C14 121.4(2) . . ?
C9 C10 C14 121.2(2) . . ?
C10 C11 C12 120.4(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
N2 C12 C11 123.3(2) . . ?
N2 C12 H12 118.4 . . ?
C11 C12 H12 118.4 . . ?
C5 C13 H13A 109.5 . . ?
C5 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C5 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 H14A 109.5 . . ?
C10 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C10 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
N4 C15 N3 104.79(17) . . ?
N4 C15 Au1' 114.5(8) . . ?
N3 C15 Au1' 140.7(8) . . ?
N4 C15 Au1 131.92(15) . . ?
N3 C15 Au1 123.28(15) . . ?
C17 C16 N3 106.70(18) . . ?
C17 C16 H16 126.7 . . ?
N3 C16 H16 126.7 . . ?
C16 C17 N4 106.57(19) . . ?
C16 C17 H17 126.7 . . ?
N4 C17 H17 126.7 . . ?
C23 C18 C19 123.4(2) . . ?
C23 C18 N3 118.12(19) . . ?
C19 C18 N3 118.35(18) . . ?
C20 C19 C18 117.3(2) . . ?
C20 C19 C27 120.7(2) . . ?
C18 C19 C27 122.06(19) . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C22 C21 C20 120.7(2) . . ?
C22 C21 H21 119.7 . . ?
C20 C21 H21 119.7 . . ?
C21 C22 C23 121.1(2) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C22 C23 C18 116.8(2) . . ?
C22 C23 C24 121.2(2) . . ?
C18 C23 C24 121.86(19) . . ?
C23 C24 C26 110.36(18) . . ?
C23 C24 C25 112.21(19) . . ?
C26 C24 C25 110.63(19) . . ?
C23 C24 H24 107.8 . . ?
C26 C24 H24 107.8 . . ?
C25 C24 H24 107.8 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C19 C27 C29 111.53(19) . . ?
C19 C27 C28 110.76(18) . . ?
C29 C27 C28 110.87(19) . . ?
C19 C27 H27 107.8 . . ?
C29 C27 H27 107.8 . . ?
C28 C27 H27 107.8 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C35 C30 C31 123.9(2) . . ?
C35 C30 N4 118.05(19) . . ?
C31 C30 N4 118.0(2) . . ?
C32 C31 C30 116.8(2) . . ?
C32 C31 C39 122.0(2) . . ?
C30 C31 C39 121.2(2) . . ?
C33 C32 C31 121.1(2) . . ?
C33 C32 H32 119.5 . . ?
C31 C32 H32 119.5 . . ?
C32 C33 C34 120.7(2) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
C33 C34 C35 120.7(2) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 H34 119.6 . . ?
C30 C35 C34 116.8(2) . . ?
C30 C35 C36 122.5(2) . . ?
C34 C35 C36 120.7(2) . . ?
C35 C36 C38 111.1(2) . . ?
C35 C36 C37 111.0(2) . . ?
C38 C36 C37 111.4(2) . . ?
C35 C36 H36 107.7 . . ?
C38 C36 H36 107.7 . . ?
C37 C36 H36 107.7 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C31 C39 C41 113.6(2) . . ?
C31 C39 C40 110.4(2) . . ?
C41 C39 C40 109.7(2) . . ?
C31 C39 H39 107.6 . . ?
C41 C39 H39 107.6 . . ?
C40 C39 H39 107.6 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
F3 Sb1 F6 90.02(8) . . ?
F3 Sb1 F5 90.97(9) . . ?
F6 Sb1 F5 178.58(8) . . ?
F3 Sb1 F2 89.81(7) . . ?
F6 Sb1 F2 90.17(7) . . ?
F5 Sb1 F2 90.84(8) . . ?
F3 Sb1 F1 90.24(7) . . ?
F6 Sb1 F1 89.05(7) . . ?
F5 Sb1 F1 89.93(8) . . ?
F2 Sb1 F1 179.22(8) . . ?
F3 Sb1 F4 179.40(8) . . ?
F6 Sb1 F4 90.15(7) . . ?
F5 Sb1 F4 88.87(8) . . ?
F2 Sb1 F4 89.61(8) . . ?
F1 Sb1 F4 90.34(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
C3 N1 C1 C6 1.9(3) . . . . ?
Au1 N1 C1 C6 -173.69(15) . . . . ?
Au1' N1 C1 C6 -173.3(3) . . . . ?
C3 N1 C1 C2 -178.75(19) . . . . ?
Au1 N1 C1 C2 5.6(3) . . . . ?
Au1' N1 C1 C2 6.0(4) . . . . ?
C12 N2 C2 C9 -0.6(3) . . . . ?
Au1' N2 C2 C9 171.3(4) . . . . ?
C12 N2 C2 C1 179.51(19) . . . . ?
Au1' N2 C2 C1 -8.6(4) . . . . ?
N1 C1 C2 N2 1.3(3) . . . . ?
C6 C1 C2 N2 -179.4(2) . . . . ?
N1 C1 C2 C9 -178.63(19) . . . . ?
C6 C1 C2 C9 0.7(3) . . . . ?
C1 N1 C3 C4 -1.5(3) . . . . ?
Au1 N1 C3 C4 174.64(17) . . . . ?
Au1' N1 C3 C4 173.1(4) . . . . ?
N1 C3 C4 C5 -0.8(3) . . . . ?
C3 C4 C5 C6 2.6(3) . . . . ?
C3 C4 C5 C13 -176.2(2) . . . . ?
N1 C1 C6 C5 -0.2(3) . . . . ?
C2 C1 C6 C5 -179.49(19) . . . . ?
N1 C1 C6 C7 179.96(19) . . . . ?
C2 C1 C6 C7 0.6(3) . . . . ?
C4 C5 C6 C1 -2.1(3) . . . . ?
C13 C5 C6 C1 176.7(2) . . . . ?
C4 C5 C6 C7 177.8(2) . . . . ?
C13 C5 C6 C7 -3.5(3) . . . . ?
C1 C6 C7 C8 -1.5(3) . . . . ?
C5 C6 C7 C8 178.6(2) . . . . ?
C6 C7 C8 C9 1.0(3) . . . . ?
N2 C2 C9 C10 -0.4(3) . . . . ?
C1 C2 C9 C10 179.43(19) . . . . ?
N2 C2 C9 C8 178.9(2) . . . . ?
C1 C2 C9 C8 -1.3(3) . . . . ?
C7 C8 C9 C2 0.4(3) . . . . ?
C7 C8 C9 C10 179.7(2) . . . . ?
C2 C9 C10 C11 1.4(3) . . . . ?
C8 C9 C10 C11 -177.8(2) . . . . ?
C2 C9 C10 C14 -177.8(2) . . . . ?
C8 C9 C10 C14 2.9(3) . . . . ?
C9 C10 C11 C12 -1.4(3) . . . . ?
C14 C10 C11 C12 177.8(2) . . . . ?
C2 N2 C12 C11 0.7(3) . . . . ?
Au1' N2 C12 C11 -171.0(4) . . . . ?
C10 C11 C12 N2 0.4(4) . . . . ?
C17 N4 C15 N3 -0.2(2) . . . . ?
C30 N4 C15 N3 -177.83(18) . . . . ?
C17 N4 C15 Au1' 178.6(4) . . . . ?
C30 N4 C15 Au1' 1.0(5) . . . . ?
C17 N4 C15 Au1 -178.62(16) . . . . ?
C30 N4 C15 Au1 3.7(3) . . . . ?
C16 N3 C15 N4 -0.1(2) . . . . ?
C18 N3 C15 N4 179.80(17) . . . . ?
C16 N3 C15 Au1' -178.4(6) . . . . ?
C18 N3 C15 Au1' 1.5(7) . . . . ?
C16 N3 C15 Au1 178.48(14) . . . . ?
C18 N3 C15 Au1 -1.6(3) . . . . ?
C15 N3 C16 C17 0.4(2) . . . . ?
C18 N3 C16 C17 -179.54(19) . . . . ?
N3 C16 C17 N4 -0.5(2) . . . . ?
C15 N4 C17 C16 0.4(2) . . . . ?
C30 N4 C17 C16 178.07(19) . . . . ?
C15 N3 C18 C23 -96.9(2) . . . . ?
C16 N3 C18 C23 83.1(3) . . . . ?
C15 N3 C18 C19 78.7(3) . . . . ?
C16 N3 C18 C19 -101.4(2) . . . . ?
C23 C18 C19 C20 2.0(3) . . . . ?
N3 C18 C19 C20 -173.30(18) . . . . ?
C23 C18 C19 C27 -176.54(19) . . . . ?
N3 C18 C19 C27 8.2(3) . . . . ?
C18 C19 C20 C21 -0.1(3) . . . . ?
C27 C19 C20 C21 178.5(2) . . . . ?
C19 C20 C21 C22 -1.4(3) . . . . ?
C20 C21 C22 C23 1.0(3) . . . . ?
C21 C22 C23 C18 0.8(3) . . . . ?
C21 C22 C23 C24 178.0(2) . . . . ?
C19 C18 C23 C22 -2.3(3) . . . . ?
N3 C18 C23 C22 172.95(18) . . . . ?
C19 C18 C23 C24 -179.48(19) . . . . ?
N3 C18 C23 C24 -4.2(3) . . . . ?
C22 C23 C24 C26 -80.8(3) . . . . ?
C18 C23 C24 C26 96.2(2) . . . . ?
C22 C23 C24 C25 43.1(3) . . . . ?
C18 C23 C24 C25 -139.9(2) . . . . ?
C20 C19 C27 C29 56.5(3) . . . . ?
C18 C19 C27 C29 -125.0(2) . . . . ?
C20 C19 C27 C28 -67.5(3) . . . . ?
C18 C19 C27 C28 111.0(2) . . . . ?
C15 N4 C30 C35 85.3(3) . . . . ?
C17 N4 C30 C35 -92.0(3) . . . . ?
C15 N4 C30 C31 -97.1(3) . . . . ?
C17 N4 C30 C31 85.6(3) . . . . ?
C35 C30 C31 C32 -1.1(3) . . . . ?
N4 C30 C31 C32 -178.62(19) . . . . ?
C35 C30 C31 C39 -179.2(2) . . . . ?
N4 C30 C31 C39 3.4(3) . . . . ?
C30 C31 C32 C33 1.1(3) . . . . ?
C39 C31 C32 C33 179.1(2) . . . . ?
C31 C32 C33 C34 -0.4(4) . . . . ?
C32 C33 C34 C35 -0.3(4) . . . . ?
C31 C30 C35 C34 0.4(3) . . . . ?
N4 C30 C35 C34 177.91(19) . . . . ?
C31 C30 C35 C36 -179.6(2) . . . . ?
N4 C30 C35 C36 -2.1(3) . . . . ?
C33 C34 C35 C30 0.3(3) . . . . ?
C33 C34 C35 C36 -179.7(2) . . . . ?
C30 C35 C36 C38 -119.9(2) . . . . ?
C34 C35 C36 C38 60.1(3) . . . . ?
C30 C35 C36 C37 115.5(3) . . . . ?
C34 C35 C36 C37 -64.5(3) . . . . ?
C32 C31 C39 C41 36.4(3) . . . . ?
C30 C31 C39 C41 -145.6(2) . . . . ?
C32 C31 C39 C40 -87.3(3) . . . . ?
C30 C31 C39 C40 90.7(3) . . . . ?

_refine_diff_density_max         0.721
_refine_diff_density_min         -0.868
_refine_diff_density_rms         0.082

####################################################################### 
# 
# 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_m22125
_database_code_depnum_ccdc_archive 'CCDC 2253715'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2022). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2023-04-03 deposited with the CCDC.	2023-05-22 downloaded from the CCDC.
;

_audit_creation_method           'SHELXL-2019/2 and CIFFIX'

_shelx_SHELXL_version_number     2019/2

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C39 H43 Au N5 O2, F6 Sb'
_chemical_formula_sum            'C39 H43 Au F6 N5 O2 Sb'
_chemical_formula_weight         1046.50

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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/c'
_space_group_name_Hall           '-P 2ybc'

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   8.7865(2)
_cell_length_b                   21.4256(5)
_cell_length_c                   21.0050(5)
_cell_angle_alpha                90
_cell_angle_beta                 97.974(1)
_cell_angle_gamma                90
_cell_volume                     3916.08(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9524
_cell_measurement_theta_min      2.18
_cell_measurement_theta_max      27.54

_exptl_crystal_description       'cut block'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.775
_exptl_crystal_F_000             2048
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    4.501
_shelx_estimated_absorpt_T_min   0.592
_shelx_estimated_absorpt_T_max   0.743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.621
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            63280
_diffrn_reflns_av_unetI/netI     0.0302
_diffrn_reflns_av_R_equivalents  0.0372
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_theta_min         1.958
_diffrn_reflns_theta_max         27.557
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998

_reflns_number_total             9020
_reflns_number_gt                8041
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2020) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0036P)²+2.3160P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00048(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         9020
_refine_ls_number_parameters     521
_refine_ls_number_restraints     21
_refine_ls_R_factor_all          0.0244
_refine_ls_R_factor_gt           0.0191
_refine_ls_wR_factor_ref         0.0387
_refine_ls_wR_factor_gt          0.0375
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.006
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.11645(19) 0.54443(9) 0.58209(8) 0.0307(4) Uani 1 1 d . . . . .
O2 O 0.34996(19) 0.57779(9) 0.61023(8) 0.0301(4) Uani 1 1 d . . . . .
N1 N 0.3790(2) 0.48772(9) 0.32611(9) 0.0164(4) Uani 1 1 d . . . . .
N2 N 0.5095(2) 0.59406(9) 0.38150(9) 0.0189(4) Uani 1 1 d . . . . .
N3 N 0.2472(2) 0.55591(10) 0.57114(9) 0.0225(5) Uani 1 1 d . . . . .
N4 N 0.6217(2) 0.54336(9) 0.14312(8) 0.0153(4) Uani 1 1 d . . . . .
N5 N 0.6916(2) 0.62790(9) 0.19287(8) 0.0154(4) Uani 1 1 d . . . . .
C1 C 0.3513(2) 0.50366(11) 0.38618(10) 0.0151(5) Uani 1 1 d . . . . .
C2 C 0.4157(2) 0.56112(11) 0.41465(10) 0.0160(5) Uani 1 1 d . . . . .
C3 C 0.5670(3) 0.64696(12) 0.40609(11) 0.0245(5) Uani 1 1 d . . . . .
H3 H 0.635152 0.669616 0.383332 0.029 Uiso 1 1 calc R U . . .
C4 C 0.5323(3) 0.67139(12) 0.46416(11) 0.0259(6) Uani 1 1 d . . . . .
H4 H 0.573288 0.710475 0.479477 0.031 Uiso 1 1 calc R U . . .
C5 C 0.4388(3) 0.63834(12) 0.49848(11) 0.0231(5) Uani 1 1 d . . . . .
H5 H 0.413487 0.654316 0.537871 0.028 Uiso 1 1 calc R U . . .
C6 C 0.3804(2) 0.58045(11) 0.47508(10) 0.0178(5) Uani 1 1 d . . . . .
C7 C 0.2835(2) 0.53996(12) 0.50679(10) 0.0194(5) Uani 1 1 d . . . . .
C8 C 0.2276(2) 0.48581(12) 0.48169(11) 0.0202(5) Uani 1 1 d . . . . .
H8 H 0.165203 0.460599 0.504835 0.024 Uiso 1 1 calc R U . . .
C9 C 0.2613(2) 0.46573(11) 0.42024(11) 0.0178(5) Uani 1 1 d . . . . .
C10 C 0.2030(3) 0.40963(11) 0.39269(12) 0.0222(5) Uani 1 1 d . . . . .
H10 H 0.142596 0.383021 0.415332 0.027 Uiso 1 1 calc R U . . .
C11 C 0.2339(3) 0.39362(11) 0.33284(12) 0.0230(5) Uani 1 1 d . . . . .
H11 H 0.196757 0.355531 0.313388 0.028 Uiso 1 1 calc R U . . .
C12 C 0.3212(3) 0.43437(11) 0.30095(11) 0.0202(5) Uani 1 1 d . . . . .
H12 H 0.340522 0.423463 0.258963 0.024 Uiso 1 1 calc R U . . .
C13 C 0.6142(2) 0.57421(10) 0.19871(10) 0.0146(4) Uani 1 1 d . . . . .
C14 C 0.7025(3) 0.57753(11) 0.10301(11) 0.0208(5) Uani 1 1 d . . . . .
H14 H 0.722122 0.565905 0.061266 0.025 Uiso 1 1 calc R U . . .
C15 C 0.7478(3) 0.63017(11) 0.13449(11) 0.0203(5) Uani 1 1 d . . . . .
H15 H 0.807099 0.662787 0.119618 0.024 Uiso 1 1 calc R U . . .
C16 C 0.5532(3) 0.48308(11) 0.12691(10) 0.0166(5) Uani 1 1 d . . . . .
C17 C 0.3982(3) 0.48088(11) 0.10117(10) 0.0186(5) Uani 1 1 d . . . . .
C18 C 0.3393(3) 0.42224(11) 0.08173(11) 0.0217(5) Uani 1 1 d . . . . .
H18 H 0.234177 0.418510 0.063980 0.026 Uiso 1 1 calc R U . . .
C19 C 0.4307(3) 0.36976(12) 0.08781(11) 0.0238(5) Uani 1 1 d . . . . .
H19 H 0.388708 0.330664 0.073030 0.029 Uiso 1 1 calc R U . . .
C20 C 0.5835(3) 0.37331(11) 0.11527(11) 0.0232(5) Uani 1 1 d . . . . .
H20 H 0.644163 0.336463 0.120151 0.028 Uiso 1 1 calc R U . . .
C21 C 0.6490(3) 0.43039(11) 0.13576(11) 0.0195(5) Uani 1 1 d . . . . .
C22 C 0.8152(3) 0.43539(12) 0.16769(12) 0.0243(5) Uani 1 1 d . . . . .
H22 H 0.854479 0.477282 0.156720 0.029 Uiso 1 1 calc R U . . .
C23 C 0.8259(3) 0.43176(13) 0.24098(12) 0.0323(6) Uani 1 1 d . . . . .
H23A H 0.756737 0.462717 0.255929 0.048 Uiso 1 1 calc R U . . .
H23B H 0.931687 0.440342 0.260498 0.048 Uiso 1 1 calc R U . . .
H23C H 0.796056 0.389902 0.253434 0.048 Uiso 1 1 calc R U . . .
C24 C 0.9200(3) 0.38638(13) 0.14452(14) 0.0358(7) Uani 1 1 d . . . . .
H24A H 0.909900 0.387367 0.097479 0.054 Uiso 1 1 calc R U . . .
H24B H 0.890974 0.344986 0.158626 0.054 Uiso 1 1 calc R U . . .
H24C H 1.026801 0.395194 0.162535 0.054 Uiso 1 1 calc R U . . .
C25 C 0.2982(3) 0.53881(11) 0.09279(11) 0.0203(5) Uani 1 1 d . . . . .
H25 H 0.358377 0.574039 0.115101 0.024 Uiso 1 1 calc R U . . .
C26 C 0.1526(3) 0.53137(14) 0.12333(16) 0.0412(7) Uani 1 1 d . . . . .
H26A H 0.096522 0.571035 0.120855 0.062 Uiso 1 1 calc R U . . .
H26B H 0.179367 0.519213 0.168472 0.062 Uiso 1 1 calc R U . . .
H26C H 0.087710 0.499039 0.100388 0.062 Uiso 1 1 calc R U . . .
C27 C 0.2596(4) 0.55623(15) 0.02241(14) 0.0520(9) Uani 1 1 d . . . . .
H27A H 0.354801 0.561520 0.003603 0.078 Uiso 1 1 calc R U . . .
H27B H 0.201395 0.595389 0.018629 0.078 Uiso 1 1 calc R U . . .
H27C H 0.197641 0.523042 -0.000467 0.078 Uiso 1 1 calc R U . . .
C28 C 0.7240(2) 0.67551(11) 0.24145(10) 0.0164(5) Uani 1 1 d . . . . .
C29 C 0.8620(2) 0.67133(11) 0.28309(11) 0.0202(5) Uani 1 1 d . . . . .
C30 C 0.8962(3) 0.71951(12) 0.32686(11) 0.0237(5) Uani 1 1 d . . . . .
H30 H 0.989692 0.718359 0.355618 0.028 Uiso 1 1 calc R U . . .
C31 C 0.7971(3) 0.76898(11) 0.32937(11) 0.0225(5) Uani 1 1 d . . . . .
H31 H 0.823018 0.801605 0.359561 0.027 Uiso 1 1 calc R U . . .
C32 C 0.6596(3) 0.77141(11) 0.28805(11) 0.0212(5) Uani 1 1 d . . . . .
H32 H 0.591719 0.805521 0.290714 0.025 Uiso 1 1 calc R U . . .
C33 C 0.6194(2) 0.72461(11) 0.24266(10) 0.0168(5) Uani 1 1 d . . . . .
C34 C 0.4703(3) 0.72737(11) 0.19648(11) 0.0214(5) Uani 1 1 d . . . . .
H34 H 0.430343 0.683801 0.189975 0.026 Uiso 1 1 calc R U . . .
C35 C 0.4984(3) 0.75280(14) 0.13091(12) 0.0345(7) Uani 1 1 d . . . . .
H35A H 0.577269 0.727569 0.114329 0.052 Uiso 1 1 calc R U . . .
H35B H 0.533261 0.796213 0.135643 0.052 Uiso 1 1 calc R U . . .
H35C H 0.402722 0.750870 0.100843 0.052 Uiso 1 1 calc R U . . .
C36 C 0.3470(3) 0.76636(14) 0.22220(14) 0.0345(7) Uani 1 1 d . . . . .
H36A H 0.377389 0.810397 0.223567 0.052 Uiso 1 1 calc R U . . .
H36B H 0.335109 0.752262 0.265627 0.052 Uiso 1 1 calc R U . . .
H36C H 0.249157 0.761470 0.193941 0.052 Uiso 1 1 calc R U . . .
C37 C 0.9677(3) 0.61534(12) 0.28338(13) 0.0283(6) Uani 1 1 d . . . . .
H37 H 0.927899 0.588243 0.245985 0.034 Uiso 1 1 calc R U . . .
C38 C 0.9644(3) 0.57753(14) 0.34462(15) 0.0429(8) Uani 1 1 d . . . . .
H38A H 0.857914 0.566815 0.348962 0.064 Uiso 1 1 calc R U . . .
H38B H 1.008952 0.602286 0.381824 0.064 Uiso 1 1 calc R U . . .
H38C H 1.024262 0.539184 0.342445 0.064 Uiso 1 1 calc R U . . .
C39 C 1.1310(3) 0.63478(15) 0.27585(16) 0.0441(8) Uani 1 1 d . . . . .
H39A H 1.195146 0.597498 0.274641 0.066 Uiso 1 1 calc R U . . .
H39B H 1.172901 0.661061 0.312287 0.066 Uiso 1 1 calc R U . . .
H39C H 1.129978 0.658284 0.235767 0.066 Uiso 1 1 calc R U . . .
Au1 Au 0.50770(2) 0.54114(2) 0.26822(2) 0.01377(4) Uani 0.9658(2) 1 d . . P A 1
Au1' Au 0.5580(3) 0.57422(14) 0.28477(12) 0.01377(4) Uani 0.0342(2) 1 d . . P A
2
Sb1 Sb 0.01168(3) 0.74851(2) 0.53041(2) 0.01935(5) Uani 0.9658(2) 1 d D . P A 1
F1 F 0.1418(2) 0.68485(8) 0.56520(9) 0.0387(5) Uani 0.9658(2) 1 d D . P A 1
F2 F -0.1211(2) 0.81178(10) 0.49669(10) 0.0616(7) Uani 0.9658(2) 1 d D . P A 1
F3 F -0.1115(2) 0.73568(10) 0.59533(9) 0.0388(4) Uani 0.9658(2) 1 d D . P A 1
F4 F 0.1330(2) 0.76129(9) 0.46558(9) 0.0458(5) Uani 0.9658(2) 1 d D . P A 1
F5 F 0.1253(2) 0.80688(9) 0.58299(9) 0.0428(5) Uani 0.9658(2) 1 d D . P A 1
F6 F -0.1047(2) 0.68857(11) 0.48065(9) 0.0497(6) Uani 0.9658(2) 1 d D . P A 1
Sb1' Sb 0.0303(10) 0.7394(4) 0.5169(4) 0.01935(5) Uani 0.0342(2) 1 d D . P A 2
F1' F 0.143(6) 0.6722(19) 0.554(2) 0.0387(5) Uani 0.0342(2) 1 d D . P A 2
F2' F -0.087(6) 0.806(2) 0.480(2) 0.0616(7) Uani 0.0342(2) 1 d D . P A 2
F3' F -0.101(5) 0.734(3) 0.580(2) 0.0388(4) Uani 0.0342(2) 1 d D . P A 2
F4' F 0.158(5) 0.745(2) 0.4535(19) 0.0458(5) Uani 0.0342(2) 1 d D . P A 2
F5' F 0.153(5) 0.795(2) 0.569(2) 0.0428(5) Uani 0.0342(2) 1 d D . P A 2
F6' F -0.097(5) 0.683(2) 0.467(2) 0.0497(6) Uani 0.0342(2) 1 d D . P 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
O1 N3 1.227(2) . ?
O2 N3 1.226(3) . ?
N1 C12 1.330(3) . ?
N1 C1 1.361(3) . ?
N1 Au1 2.1092(18) . ?
N2 C3 1.317(3) . ?
N2 C2 1.350(3) . ?
N2 Au1' 2.175(3) . ?
N2 Au1 2.6337(19) . ?
N3 C7 1.472(3) . ?
N4 C13 1.351(3) . ?
N4 C14 1.384(3) . ?
N4 C16 1.445(3) . ?
N5 C13 1.350(3) . ?
N5 C15 1.385(3) . ?
N5 C28 1.443(3) . ?
C1 C9 1.398(3) . ?
C1 C2 1.449(3) . ?
C2 C6 1.410(3) . ?
C3 C4 1.399(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.364(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.405(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.441(3) . ?
C7 C8 1.339(3) . ?
C8 C9 1.430(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.400(3) . ?
C10 C11 1.367(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 Au1' 1.939(3) . ?
C13 Au1 1.972(2) . ?
C14 C15 1.339(3) . ?
C14 H14 0.9500 . ?
C15 H15 0.9500 . ?
C16 C17 1.395(3) . ?
C16 C21 1.405(3) . ?
C17 C18 1.398(3) . ?
C17 C25 1.517(3) . ?
C18 C19 1.378(3) . ?
C18 H18 0.9500 . ?
C19 C20 1.388(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.394(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.524(3) . ?
C22 C24 1.521(3) . ?
C22 C23 1.531(4) . ?
C22 H22 1.0000 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C27 1.517(4) . ?
C25 C26 1.517(3) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 C29 1.396(3) . ?
C28 C33 1.400(3) . ?
C29 C30 1.387(3) . ?
C29 C37 1.517(3) . ?
C30 C31 1.378(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.387(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.395(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.519(3) . ?
C34 C36 1.525(3) . ?
C34 C35 1.533(3) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C39 1.523(4) . ?
C37 C38 1.524(4) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
Sb1 F4 1.8622(16) . ?
Sb1 F1 1.8627(15) . ?
Sb1 F2 1.8630(16) . ?
Sb1 F5 1.8642(16) . ?
Sb1 F6 1.8686(16) . ?
Sb1 F3 1.8752(15) . ?
Sb1' F1' 1.860(9) . ?
Sb1' F4' 1.861(9) . ?
Sb1' F5' 1.863(9) . ?
Sb1' F2' 1.865(9) . ?
Sb1' F6' 1.870(9) . ?
Sb1' F3' 1.875(9) . ?

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
C12 N1 C1 118.5(2) . . ?
C12 N1 Au1 116.28(15) . . ?
C1 N1 Au1 125.26(15) . . ?
C3 N2 C2 118.4(2) . . ?
C3 N2 Au1' 114.87(17) . . ?
C2 N2 Au1' 126.34(17) . . ?
C3 N2 Au1 132.76(16) . . ?
C2 N2 Au1 108.26(14) . . ?
O2 N3 O1 124.9(2) . . ?
O2 N3 C7 118.03(19) . . ?
O1 N3 C7 117.0(2) . . ?
C13 N4 C14 110.97(19) . . ?
C13 N4 C16 124.88(18) . . ?
C14 N4 C16 124.15(18) . . ?
C13 N5 C15 110.86(18) . . ?
C13 N5 C28 126.21(18) . . ?
C15 N5 C28 122.78(19) . . ?
N1 C1 C9 121.0(2) . . ?
N1 C1 C2 119.05(19) . . ?
C9 C1 C2 119.9(2) . . ?
N2 C2 C6 122.5(2) . . ?
N2 C2 C1 117.59(19) . . ?
C6 C2 C1 119.9(2) . . ?
N2 C3 C4 123.1(2) . . ?
N2 C3 H3 118.5 . . ?
C4 C3 H3 118.5 . . ?
C5 C4 C3 119.1(2) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 119.4(2) . . ?
C4 C5 H5 120.3 . . ?
C6 C5 H5 120.3 . . ?
C5 C6 C2 117.3(2) . . ?
C5 C6 C7 125.5(2) . . ?
C2 C6 C7 117.2(2) . . ?
C8 C7 C6 123.2(2) . . ?
C8 C7 N3 116.6(2) . . ?
C6 C7 N3 120.1(2) . . ?
C7 C8 C9 120.3(2) . . ?
C7 C8 H8 119.8 . . ?
C9 C8 H8 119.8 . . ?
C1 C9 C10 119.2(2) . . ?
C1 C9 C8 119.3(2) . . ?
C10 C9 C8 121.4(2) . . ?
C11 C10 C9 119.2(2) . . ?
C11 C10 H10 120.4 . . ?
C9 C10 H10 120.4 . . ?
C10 C11 C12 118.6(2) . . ?
C10 C11 H11 120.7 . . ?
C12 C11 H11 120.7 . . ?
N1 C12 C11 123.5(2) . . ?
N1 C12 H12 118.2 . . ?
C11 C12 H12 118.2 . . ?
N5 C13 N4 104.64(18) . . ?
N5 C13 Au1' 106.32(17) . . ?
N4 C13 Au1' 148.76(19) . . ?
N5 C13 Au1 132.05(16) . . ?
N4 C13 Au1 123.31(16) . . ?
C15 C14 N4 106.7(2) . . ?
C15 C14 H14 126.7 . . ?
N4 C14 H14 126.7 . . ?
C14 C15 N5 106.8(2) . . ?
C14 C15 H15 126.6 . . ?
N5 C15 H15 126.6 . . ?
C17 C16 C21 124.0(2) . . ?
C17 C16 N4 118.3(2) . . ?
C21 C16 N4 117.70(19) . . ?
C16 C17 C18 116.5(2) . . ?
C16 C17 C25 122.4(2) . . ?
C18 C17 C25 121.1(2) . . ?
C19 C18 C17 121.3(2) . . ?
C19 C18 H18 119.4 . . ?
C17 C18 H18 119.4 . . ?
C18 C19 C20 120.8(2) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C19 C20 C21 120.7(2) . . ?
C19 C20 H20 119.7 . . ?
C21 C20 H20 119.7 . . ?
C20 C21 C16 116.8(2) . . ?
C20 C21 C22 121.8(2) . . ?
C16 C21 C22 121.4(2) . . ?
C24 C22 C21 113.4(2) . . ?
C24 C22 C23 109.3(2) . . ?
C21 C22 C23 111.12(19) . . ?
C24 C22 H22 107.6 . . ?
C21 C22 H22 107.6 . . ?
C23 C22 H22 107.6 . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C17 C25 C27 111.2(2) . . ?
C17 C25 C26 111.9(2) . . ?
C27 C25 C26 110.5(2) . . ?
C17 C25 H25 107.7 . . ?
C27 C25 H25 107.7 . . ?
C26 C25 H25 107.7 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C29 C28 C33 123.5(2) . . ?
C29 C28 N5 117.8(2) . . ?
C33 C28 N5 118.56(19) . . ?
C30 C29 C28 117.2(2) . . ?
C30 C29 C37 120.6(2) . . ?
C28 C29 C37 122.1(2) . . ?
C31 C30 C29 121.2(2) . . ?
C31 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
C30 C31 C32 120.3(2) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C33 121.1(2) . . ?
C31 C32 H32 119.4 . . ?
C33 C32 H32 119.4 . . ?
C32 C33 C28 116.6(2) . . ?
C32 C33 C34 121.5(2) . . ?
C28 C33 C34 121.9(2) . . ?
C33 C34 C36 112.8(2) . . ?
C33 C34 C35 110.82(19) . . ?
C36 C34 C35 109.5(2) . . ?
C33 C34 H34 107.8 . . ?
C36 C34 H34 107.8 . . ?
C35 C34 H34 107.8 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C29 C37 C39 111.6(2) . . ?
C29 C37 C38 109.9(2) . . ?
C39 C37 C38 111.2(2) . . ?
C29 C37 H37 108.0 . . ?
C39 C37 H37 108.0 . . ?
C38 C37 H37 108.0 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C13 Au1 N1 165.76(8) . . ?
C13 Au1 N2 124.76(8) . . ?
N1 Au1 N2 69.48(6) . . ?
C13 Au1' N2 168.30(19) . . ?
F4 Sb1 F1 90.70(8) . . ?
F4 Sb1 F2 90.37(9) . . ?
F1 Sb1 F2 178.92(9) . . ?
F4 Sb1 F5 91.19(8) . . ?
F1 Sb1 F5 90.55(8) . . ?
F2 Sb1 F5 89.58(9) . . ?
F4 Sb1 F6 90.95(8) . . ?
F1 Sb1 F6 88.56(8) . . ?
F2 Sb1 F6 91.27(10) . . ?
F5 Sb1 F6 177.70(8) . . ?
F4 Sb1 F3 179.66(8) . . ?
F1 Sb1 F3 89.56(8) . . ?
F2 Sb1 F3 89.37(9) . . ?
F5 Sb1 F3 89.04(8) . . ?
F6 Sb1 F3 88.83(8) . . ?
F1' Sb1' F4' 90.9(8) . . ?
F1' Sb1' F5' 90.9(8) . . ?
F4' Sb1' F5' 91.3(8) . . ?
F1' Sb1' F2' 178.6(10) . . ?
F4' Sb1' F2' 90.4(8) . . ?
F5' Sb1' F2' 89.7(8) . . ?
F1' Sb1' F6' 88.5(8) . . ?
F4' Sb1' F6' 90.8(8) . . ?
F5' Sb1' F6' 177.8(10) . . ?
F2' Sb1' F6' 90.8(8) . . ?
F1' Sb1' F3' 89.7(8) . . ?
F4' Sb1' F3' 179.2(10) . . ?
F5' Sb1' F3' 89.2(8) . . ?
F2' Sb1' F3' 89.1(8) . . ?
F6' Sb1' F3' 88.7(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
C12 N1 C1 C9 -1.5(3) . . . . ?
Au1 N1 C1 C9 178.48(15) . . . . ?
C12 N1 C1 C2 178.94(19) . . . . ?
Au1 N1 C1 C2 -1.1(3) . . . . ?
C3 N2 C2 C6 -1.6(3) . . . . ?
Au1' N2 C2 C6 -174.30(17) . . . . ?
Au1 N2 C2 C6 -174.16(17) . . . . ?
C3 N2 C2 C1 178.8(2) . . . . ?
Au1' N2 C2 C1 6.1(3) . . . . ?
Au1 N2 C2 C1 6.3(2) . . . . ?
N1 C1 C2 N2 -4.4(3) . . . . ?
C9 C1 C2 N2 175.96(19) . . . . ?
N1 C1 C2 C6 175.98(19) . . . . ?
C9 C1 C2 C6 -3.6(3) . . . . ?
C2 N2 C3 C4 -1.6(4) . . . . ?
Au1' N2 C3 C4 171.8(2) . . . . ?
Au1 N2 C3 C4 168.68(17) . . . . ?
N2 C3 C4 C5 2.3(4) . . . . ?
C3 C4 C5 C6 0.4(4) . . . . ?
C4 C5 C6 C2 -3.4(3) . . . . ?
C4 C5 C6 C7 178.5(2) . . . . ?
N2 C2 C6 C5 4.1(3) . . . . ?
C1 C2 C6 C5 -176.32(19) . . . . ?
N2 C2 C6 C7 -177.6(2) . . . . ?
C1 C2 C6 C7 1.9(3) . . . . ?
C5 C6 C7 C8 178.3(2) . . . . ?
C2 C6 C7 C8 0.2(3) . . . . ?
C5 C6 C7 N3 -4.4(3) . . . . ?
C2 C6 C7 N3 177.48(19) . . . . ?
O2 N3 C7 C8 137.3(2) . . . . ?
O1 N3 C7 C8 -40.6(3) . . . . ?
O2 N3 C7 C6 -40.1(3) . . . . ?
O1 N3 C7 C6 142.0(2) . . . . ?
C6 C7 C8 C9 -0.7(3) . . . . ?
N3 C7 C8 C9 -178.08(19) . . . . ?
N1 C1 C9 C10 1.9(3) . . . . ?
C2 C1 C9 C10 -178.47(19) . . . . ?
N1 C1 C9 C8 -176.48(19) . . . . ?
C2 C1 C9 C8 3.1(3) . . . . ?
C7 C8 C9 C1 -1.0(3) . . . . ?
C7 C8 C9 C10 -179.4(2) . . . . ?
C1 C9 C10 C11 -0.7(3) . . . . ?
C8 C9 C10 C11 177.6(2) . . . . ?
C9 C10 C11 C12 -0.8(3) . . . . ?
C1 N1 C12 C11 -0.2(3) . . . . ?
Au1 N1 C12 C11 179.85(18) . . . . ?
C10 C11 C12 N1 1.4(4) . . . . ?
C15 N5 C13 N4 -0.6(2) . . . . ?
C28 N5 C13 N4 -176.11(19) . . . . ?
C15 N5 C13 Au1' 175.22(16) . . . . ?
C28 N5 C13 Au1' -0.3(3) . . . . ?
C15 N5 C13 Au1 179.68(17) . . . . ?
C28 N5 C13 Au1 4.1(3) . . . . ?
C14 N4 C13 N5 -0.1(2) . . . . ?
C16 N4 C13 N5 -179.42(18) . . . . ?
C14 N4 C13 Au1' -172.3(3) . . . . ?
C16 N4 C13 Au1' 8.4(5) . . . . ?
C14 N4 C13 Au1 179.66(15) . . . . ?
C16 N4 C13 Au1 0.4(3) . . . . ?
C13 N4 C14 C15 0.8(3) . . . . ?
C16 N4 C14 C15 -179.9(2) . . . . ?
N4 C14 C15 N5 -1.1(3) . . . . ?
C13 N5 C15 C14 1.0(3) . . . . ?
C28 N5 C15 C14 176.79(19) . . . . ?
C13 N4 C16 C17 83.5(3) . . . . ?
C14 N4 C16 C17 -95.7(3) . . . . ?
C13 N4 C16 C21 -98.9(3) . . . . ?
C14 N4 C16 C21 81.9(3) . . . . ?
C21 C16 C17 C18 -2.0(3) . . . . ?
N4 C16 C17 C18 175.39(19) . . . . ?
C21 C16 C17 C25 179.6(2) . . . . ?
N4 C16 C17 C25 -3.1(3) . . . . ?
C16 C17 C18 C19 -0.1(3) . . . . ?
C25 C17 C18 C19 178.4(2) . . . . ?
C17 C18 C19 C20 1.9(4) . . . . ?
C18 C19 C20 C21 -1.7(4) . . . . ?
C19 C20 C21 C16 -0.2(3) . . . . ?
C19 C20 C21 C22 178.3(2) . . . . ?
C17 C16 C21 C20 2.1(3) . . . . ?
N4 C16 C21 C20 -175.2(2) . . . . ?
C17 C16 C21 C22 -176.4(2) . . . . ?
N4 C16 C21 C22 6.2(3) . . . . ?
C20 C21 C22 C24 30.6(3) . . . . ?
C16 C21 C22 C24 -150.8(2) . . . . ?
C20 C21 C22 C23 -93.0(3) . . . . ?
C16 C21 C22 C23 85.5(3) . . . . ?
C16 C17 C25 C27 108.5(3) . . . . ?
C18 C17 C25 C27 -69.9(3) . . . . ?
C16 C17 C25 C26 -127.3(2) . . . . ?
C18 C17 C25 C26 54.3(3) . . . . ?
C13 N5 C28 C29 91.3(3) . . . . ?
C15 N5 C28 C29 -83.7(3) . . . . ?
C13 N5 C28 C33 -91.3(3) . . . . ?
C15 N5 C28 C33 93.6(3) . . . . ?
C33 C28 C29 C30 -1.2(3) . . . . ?
N5 C28 C29 C30 176.0(2) . . . . ?
C33 C28 C29 C37 175.9(2) . . . . ?
N5 C28 C29 C37 -6.9(3) . . . . ?
C28 C29 C30 C31 0.6(4) . . . . ?
C37 C29 C30 C31 -176.5(2) . . . . ?
C29 C30 C31 C32 0.3(4) . . . . ?
C30 C31 C32 C33 -0.8(4) . . . . ?
C31 C32 C33 C28 0.3(3) . . . . ?
C31 C32 C33 C34 -179.0(2) . . . . ?
C29 C28 C33 C32 0.7(3) . . . . ?
N5 C28 C33 C32 -176.47(19) . . . . ?
C29 C28 C33 C34 -179.9(2) . . . . ?
N5 C28 C33 C34 2.8(3) . . . . ?
C32 C33 C34 C36 -24.9(3) . . . . ?
C28 C33 C34 C36 155.8(2) . . . . ?
C32 C33 C34 C35 98.3(3) . . . . ?
C28 C33 C34 C35 -80.9(3) . . . . ?
C30 C29 C37 C39 -56.4(3) . . . . ?
C28 C29 C37 C39 126.7(3) . . . . ?
C30 C29 C37 C38 67.5(3) . . . . ?
C28 C29 C37 C38 -109.5(3) . . . . ?

_refine_diff_density_max         0.512
_refine_diff_density_min         -0.505
_refine_diff_density_rms         0.078

####################################################################### 
# 
# 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_m22126
_database_code_depnum_ccdc_archive 'CCDC 2253714'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2022). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2023-04-03 deposited with the CCDC.	2023-05-22 downloaded from the CCDC.
;

_audit_creation_method           'SHELXL-2019/2 and CIFFIX'

_shelx_SHELXL_version_number     2019/2

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C40 H46 Au N4, F6 Sb'
_chemical_formula_sum            'C40 H46 Au F6 N4 Sb'
_chemical_formula_weight         1015.52

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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'

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

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   8.6432(2)
_cell_length_b                   14.4671(4)
_cell_length_c                   15.6498(3)
_cell_angle_alpha                86.968(1)
_cell_angle_beta                 89.402(1)
_cell_angle_gamma                87.477(1)
_cell_volume                     1952.19(8)
_cell_formula_units_Z            2
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9458
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      27.50

_exptl_crystal_description       'cut block'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.728
_exptl_crystal_F_000             996
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.130
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    4.507
_shelx_estimated_absorpt_T_min   0.592
_shelx_estimated_absorpt_T_max   0.714
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.582
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            64534
_diffrn_reflns_av_unetI/netI     0.0195
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         1.970
_diffrn_reflns_theta_max         27.532
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998

_reflns_number_total             8958
_reflns_number_gt                8586
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2020) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0044P)²+2.1691P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     'SHELXL-2019/2 (Sheldrick 2019)'
_refine_ls_extinction_coef       0.00081(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         8958
_refine_ls_number_parameters     540
_refine_ls_number_restraints     19
_refine_ls_R_factor_all          0.0188
_refine_ls_R_factor_gt           0.0171
_refine_ls_wR_factor_ref         0.0374
_refine_ls_wR_factor_gt          0.0368
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_restrained_S_all      1.120
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.61081(2) 0.18244(2) 0.26137(2) 0.01504(4) Uani 0.9790(5) 1 d . . P A 1
Au1' Au 0.5910(5) 0.2165(5) 0.2821(4) 0.01504(4) Uani 0.0210(5) 1 d . . P A 2
N1 N 0.5277(2) 0.05748(12) 0.31605(11) 0.0191(4) Uani 1 1 d . . . . .
N2 N 0.4312(2) 0.21235(13) 0.39844(12) 0.0227(4) Uani 1 1 d . . . . .
N3 N 0.80741(19) 0.25022(11) 0.11956(10) 0.0140(3) Uani 1 1 d . . . . .
N4 N 0.73325(19) 0.36641(11) 0.19140(11) 0.0155(3) Uani 1 1 d . . . . .
C1 C 0.4231(2) 0.04860(15) 0.38178(13) 0.0181(4) Uani 1 1 d . . . . .
C2 C 0.3735(2) 0.13023(15) 0.42535(13) 0.0194(4) Uani 1 1 d . . . . .
C3 C 0.3872(3) 0.28664(16) 0.43961(15) 0.0265(5) Uani 1 1 d . . . . .
H3 H 0.426341 0.344519 0.420363 0.032 Uiso 1 1 calc R U . . .
C4 C 0.2859(3) 0.28462(17) 0.51013(15) 0.0275(5) Uani 1 1 d . . . . .
H4 H 0.259426 0.339661 0.538476 0.033 Uiso 1 1 calc R U . . .
C5 C 0.2258(3) 0.20233(17) 0.53752(14) 0.0260(5) Uani 1 1 d . . . . .
H5 H 0.156340 0.199428 0.584931 0.031 Uiso 1 1 calc R U . . .
C6 C 0.2682(2) 0.12212(16) 0.49462(13) 0.0220(4) Uani 1 1 d . . . . .
C7 C 0.2095(3) 0.03323(17) 0.51862(14) 0.0257(5) Uani 1 1 d . . . . .
H7 H 0.137750 0.027698 0.564795 0.031 Uiso 1 1 calc R U . . .
C8 C 0.2543(3) -0.04244(17) 0.47693(14) 0.0256(5) Uani 1 1 d . . . . .
H8 H 0.212809 -0.100319 0.494070 0.031 Uiso 1 1 calc R U . . .
C9 C 0.3630(2) -0.03799(15) 0.40740(13) 0.0208(4) Uani 1 1 d . . . . .
C10 C 0.4145(3) -0.11713(15) 0.36390(14) 0.0236(5) Uani 1 1 d . . . . .
C11 C 0.5249(3) -0.10626(16) 0.30103(14) 0.0244(5) Uani 1 1 d . . . . .
H11 H 0.565386 -0.158717 0.272804 0.029 Uiso 1 1 calc R U . . .
C12 C 0.5779(3) -0.01864(16) 0.27831(13) 0.0224(4) Uani 1 1 d . . . . .
H12 H 0.653295 -0.013023 0.233932 0.027 Uiso 1 1 calc R U . . .
C13 C 0.3492(3) -0.20953(18) 0.38519(18) 0.0367(6) Uani 1 1 d . . . . .
H13A H 0.238478 -0.206864 0.372014 0.055 Uiso 1 1 calc R U . . .
H13B H 0.363605 -0.225972 0.446232 0.055 Uiso 1 1 calc R U . . .
H13C H 0.402815 -0.256375 0.351299 0.055 Uiso 1 1 calc R U . . .
C14 C 0.7193(2) 0.27414(14) 0.18749(12) 0.0154(4) Uani 1 1 d . . . . .
C15 C 0.8767(2) 0.32677(14) 0.08158(13) 0.0172(4) Uani 1 1 d . . . . .
H15 H 0.944192 0.327560 0.033245 0.021 Uiso 1 1 calc R U . . .
C16 C 0.8297(2) 0.39990(14) 0.12668(13) 0.0189(4) Uani 1 1 d . . . . .
H16 H 0.857326 0.462338 0.116130 0.023 Uiso 1 1 calc R U . . .
C17 C 0.8255(2) 0.15552(13) 0.09478(12) 0.0148(4) Uani 1 1 d . . . . .
C18 C 0.7352(2) 0.12834(14) 0.02775(12) 0.0157(4) Uani 1 1 d . . . . .
C19 C 0.7425(2) 0.03447(15) 0.01185(13) 0.0207(4) Uani 1 1 d . . . . .
H19 H 0.681239 0.012914 -0.032427 0.025 Uiso 1 1 calc R U . . .
C20 C 0.8371(3) -0.02805(15) 0.05930(14) 0.0224(4) Uani 1 1 d . . . . .
H20 H 0.838983 -0.091909 0.047782 0.027 Uiso 1 1 calc R U . . .
C21 C 0.9288(2) 0.00166(15) 0.12324(14) 0.0208(4) Uani 1 1 d . . . . .
H21 H 0.995272 -0.041767 0.154279 0.025 Uiso 1 1 calc R U . . .
C22 C 0.9250(2) 0.09471(14) 0.14278(12) 0.0165(4) Uani 1 1 d . . . . .
C23 C 1.0279(2) 0.12715(15) 0.21226(13) 0.0184(4) Uani 1 1 d . . . . .
H23 H 0.997846 0.193515 0.221178 0.022 Uiso 1 1 calc R U . . .
C24 C 1.1975(3) 0.12255(19) 0.18377(15) 0.0304(5) Uani 1 1 d . . . . .
H24A H 1.232190 0.057717 0.178278 0.046 Uiso 1 1 calc R U . . .
H24B H 1.260827 0.150303 0.226351 0.046 Uiso 1 1 calc R U . . .
H24C H 1.208217 0.156679 0.128398 0.046 Uiso 1 1 calc R U . . .
C25 C 1.0057(3) 0.07255(18) 0.29745(14) 0.0284(5) Uani 1 1 d . . . . .
H25A H 0.897068 0.078987 0.315647 0.043 Uiso 1 1 calc R U . . .
H25B H 1.071914 0.096647 0.340798 0.043 Uiso 1 1 calc R U . . .
H25C H 1.033782 0.006987 0.290529 0.043 Uiso 1 1 calc R U . . .
C26 C 0.6300(2) 0.19729(15) -0.02294(13) 0.0188(4) Uani 1 1 d . . . . .
H26 H 0.677646 0.259056 -0.023296 0.023 Uiso 1 1 calc R U . . .
C27 C 0.6123(3) 0.17232(18) -0.11590(14) 0.0285(5) Uani 1 1 d . . . . .
H27A H 0.558892 0.223898 -0.148227 0.043 Uiso 1 1 calc R U . . .
H27B H 0.551771 0.116775 -0.117874 0.043 Uiso 1 1 calc R U . . .
H27C H 0.714920 0.160272 -0.141227 0.043 Uiso 1 1 calc R U . . .
C28 C 0.4708(3) 0.20680(16) 0.01970(15) 0.0249(5) Uani 1 1 d . . . . .
H28A H 0.406697 0.253892 -0.012462 0.037 Uiso 1 1 calc R U . . .
H28B H 0.482567 0.225377 0.078520 0.037 Uiso 1 1 calc R U . . .
H28C H 0.420835 0.147242 0.020422 0.037 Uiso 1 1 calc R U . . .
C29 C 0.6584(2) 0.42170(14) 0.25499(13) 0.0181(4) Uani 1 1 d . . . . .
C30 C 0.7348(3) 0.42924(15) 0.33254(13) 0.0209(4) Uani 1 1 d . . . . .
C31 C 0.6606(3) 0.48299(16) 0.39299(14) 0.0258(5) Uani 1 1 d . . . . .
H31 H 0.707993 0.488880 0.446807 0.031 Uiso 1 1 calc R U . . .
C32 C 0.5191(3) 0.52797(16) 0.37617(15) 0.0267(5) Uani 1 1 d . . . . .
H32 H 0.470983 0.564886 0.418184 0.032 Uiso 1 1 calc R U . . .
C33 C 0.4469(3) 0.51974(15) 0.29869(15) 0.0251(5) Uani 1 1 d . . . . .
H33 H 0.349642 0.551142 0.288016 0.030 Uiso 1 1 calc R U . . .
C34 C 0.5153(3) 0.46582(14) 0.23594(14) 0.0206(4) Uani 1 1 d . . . . .
C35 C 0.4352(3) 0.45602(17) 0.15117(14) 0.0254(5) Uani 1 1 d . . . . .
H35 H 0.503006 0.414771 0.116002 0.030 Uiso 1 1 calc R U . . .
C36 C 0.2800(3) 0.4105(2) 0.16442(19) 0.0440(7) Uani 1 1 d . . . . .
H36A H 0.235069 0.400127 0.108674 0.066 Uiso 1 1 calc R U . . .
H36B H 0.209362 0.451129 0.196311 0.066 Uiso 1 1 calc R U . . .
H36C H 0.295992 0.351038 0.196770 0.066 Uiso 1 1 calc R U . . .
C37 C 0.4155(4) 0.5498(2) 0.10223(17) 0.0421(7) Uani 1 1 d . . . . .
H37A H 0.517079 0.576487 0.093293 0.063 Uiso 1 1 calc R U . . .
H37B H 0.348841 0.591565 0.135279 0.063 Uiso 1 1 calc R U . . .
H37C H 0.368019 0.541664 0.046695 0.063 Uiso 1 1 calc R U . . .
C38 C 0.8902(3) 0.37984(16) 0.35152(15) 0.0268(5) Uani 1 1 d . . . . .
H38 H 0.926926 0.350611 0.298035 0.032 Uiso 1 1 calc R U . . .
C39 C 0.8731(3) 0.30259(19) 0.4204(2) 0.0438(7) Uani 1 1 d . . . . .
H39A H 0.791878 0.261928 0.404065 0.066 Uiso 1 1 calc R U . . .
H39B H 0.844912 0.329529 0.474922 0.066 Uiso 1 1 calc R U . . .
H39C H 0.971398 0.266590 0.426723 0.066 Uiso 1 1 calc R U . . .
C40 C 1.0122(3) 0.44697(18) 0.37595(17) 0.0334(6) Uani 1 1 d . . . . .
H40A H 1.112893 0.413562 0.382119 0.050 Uiso 1 1 calc R U . . .
H40B H 0.982593 0.473812 0.430261 0.050 Uiso 1 1 calc R U . . .
H40C H 1.019214 0.496559 0.331111 0.050 Uiso 1 1 calc R U . . .
Sb1 Sb -0.06132(6) 0.71092(4) 0.20811(5) 0.02226(13) Uani 0.836(2) 1 d . U P B
1
F1 F 0.1330(3) 0.6562(2) 0.23736(19) 0.0739(9) Uani 0.836(2) 1 d . . P B 1
F2 F -0.2526(3) 0.7715(3) 0.1789(2) 0.0637(8) Uani 0.836(2) 1 d . . P B 1
F3 F -0.1488(4) 0.66128(17) 0.30873(17) 0.0616(8) Uani 0.836(2) 1 d . . P B 1
F4 F 0.0214(3) 0.76139(15) 0.10663(13) 0.0366(5) Uani 0.836(2) 1 d . . P B 1
F5 F -0.0109(3) 0.81568(16) 0.26628(15) 0.0462(6) Uani 0.836(2) 1 d . . P B 1
F6 F -0.1050(5) 0.6062(2) 0.1515(2) 0.0920(14) Uani 0.836(2) 1 d . . P B 1
Sb1' Sb -0.0890(4) 0.6953(3) 0.1784(3) 0.0278(7) Uani 0.1006(17) 1 d . U P C 2
F1' F 0.054(3) 0.5967(16) 0.1751(14) 0.0739(9) Uani 0.1006(17) 1 d . . P C 2
F2' F -0.211(3) 0.787(3) 0.198(2) 0.0637(8) Uani 0.1006(17) 1 d . . P C 2
F3' F -0.152(4) 0.6391(17) 0.2798(16) 0.0616(8) Uani 0.1006(17) 1 d . . P C 2
F4' F -0.015(3) 0.7481(16) 0.0805(13) 0.0366(5) Uani 0.1006(17) 1 d . . P C 2
F5' F 0.052(2) 0.7556(12) 0.2367(10) 0.0462(6) Uani 0.1006(17) 1 d . . P C 2
F6' F -0.227(4) 0.6324(16) 0.1267(18) 0.0920(14) Uani 0.1006(17) 1 d . . P C 2
Sb1" Sb -0.0529(10) 0.7051(6) 0.2374(5) 0.0443(18) Uani 0.0632(17) 1 d . U P D
3
F1" F 0.126(5) 0.698(3) 0.228(3) 0.0739(9) Uani 0.0632(17) 1 d . . P D 3
F2" F -0.263(3) 0.720(3) 0.217(2) 0.0637(8) Uani 0.0632(17) 1 d . . P D 3
F3" F -0.032(5) 0.666(2) 0.338(2) 0.0616(8) Uani 0.0632(17) 1 d . . P D 3
F4" F -0.190(3) 0.7494(18) 0.1466(16) 0.0366(5) Uani 0.0632(17) 1 d . . P D 3
F5" F -0.077(5) 0.822(3) 0.255(2) 0.0462(6) Uani 0.0632(17) 1 d . . P D 3
F6" F -0.080(8) 0.584(3) 0.195(3) 0.0920(14) Uani 0.0632(17) 1 d . . P D 3


_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 C14 1.975(2) . ?
Au1 N1 2.1106(17) . ?
Au1' C14 2.008(5) . ?
Au1' N2 2.275(6) . ?
Au1' N1 2.419(7) . ?
N1 C12 1.331(3) . ?
N1 C1 1.367(3) . ?
N2 C3 1.322(3) . ?
N2 C2 1.353(3) . ?
N3 C14 1.352(3) . ?
N3 C15 1.386(3) . ?
N3 C17 1.445(2) . ?
N4 C14 1.350(3) . ?
N4 C16 1.386(3) . ?
N4 C29 1.440(3) . ?
C1 C9 1.414(3) . ?
C1 C2 1.441(3) . ?
C2 C6 1.412(3) . ?
C3 C4 1.401(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.366(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.404(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.433(3) . ?
C7 C8 1.344(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.431(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.415(3) . ?
C10 C11 1.371(3) . ?
C10 C13 1.494(3) . ?
C11 C12 1.394(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C15 C16 1.348(3) . ?
C15 H15 0.9500 . ?
C16 H16 0.9500 . ?
C17 C18 1.397(3) . ?
C17 C22 1.398(3) . ?
C18 C19 1.392(3) . ?
C18 C26 1.518(3) . ?
C19 C20 1.384(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.381(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.395(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.518(3) . ?
C23 C24 1.527(3) . ?
C23 C25 1.528(3) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 C28 1.527(3) . ?
C26 C27 1.528(3) . ?
C26 H26 1.0000 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C34 1.394(3) . ?
C29 C30 1.399(3) . ?
C30 C31 1.390(3) . ?
C30 C38 1.518(3) . ?
C31 C32 1.381(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.382(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.397(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.519(3) . ?
C35 C37 1.526(3) . ?
C35 C36 1.527(4) . ?
C35 H35 1.0000 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 C39 1.523(3) . ?
C38 C40 1.529(3) . ?
C38 H38 1.0000 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
Sb1 F6 1.849(3) . ?
Sb1 F4 1.862(2) . ?
Sb1 F3 1.863(2) . ?
Sb1 F1 1.876(2) . ?
Sb1 F5 1.878(2) . ?
Sb1 F2 1.885(3) . ?
Sb1' F2' 1.70(3) . ?
Sb1' F6' 1.76(3) . ?
Sb1' F4' 1.80(2) . ?
Sb1' F5' 1.809(17) . ?
Sb1' F3' 1.83(2) . ?
Sb1' F1' 1.847(18) . ?
Sb1" F1" 1.55(5) . ?
Sb1" F3" 1.66(3) . ?
Sb1" F5" 1.73(4) . ?
Sb1" F2" 1.84(3) . ?
Sb1" F4" 1.92(3) . ?
Sb1" F6" 1.93(4) . ?
F2" F4" 1.33(4) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 Au1 N1 163.19(8) . . ?
C14 Au1' N2 157.0(5) . . ?
C14 Au1' N1 131.6(4) . . ?
N2 Au1' N1 71.31(13) . . ?
C12 N1 C1 118.31(18) . . ?
C12 N1 Au1 115.04(14) . . ?
C1 N1 Au1 126.55(14) . . ?
C12 N1 Au1' 128.7(2) . . ?
C1 N1 Au1' 113.0(2) . . ?
C3 N2 C2 118.1(2) . . ?
C3 N2 Au1' 123.4(3) . . ?
C2 N2 Au1' 118.5(2) . . ?
C14 N3 C15 110.96(17) . . ?
C14 N3 C17 122.02(16) . . ?
C15 N3 C17 126.99(17) . . ?
C14 N4 C16 110.84(17) . . ?
C14 N4 C29 124.12(17) . . ?
C16 N4 C29 125.04(17) . . ?
N1 C1 C9 121.7(2) . . ?
N1 C1 C2 118.52(18) . . ?
C9 C1 C2 119.80(19) . . ?
N2 C2 C6 122.2(2) . . ?
N2 C2 C1 118.41(19) . . ?
C6 C2 C1 119.35(19) . . ?
N2 C3 C4 123.5(2) . . ?
N2 C3 H3 118.2 . . ?
C4 C3 H3 118.2 . . ?
C5 C4 C3 119.0(2) . . ?
C5 C4 H4 120.5 . . ?
C3 C4 H4 120.5 . . ?
C4 C5 C6 119.1(2) . . ?
C4 C5 H5 120.5 . . ?
C6 C5 H5 120.5 . . ?
C5 C6 C2 118.1(2) . . ?
C5 C6 C7 122.7(2) . . ?
C2 C6 C7 119.2(2) . . ?
C8 C7 C6 121.2(2) . . ?
C8 C7 H7 119.4 . . ?
C6 C7 H7 119.4 . . ?
C7 C8 C9 121.6(2) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C1 C9 C10 118.6(2) . . ?
C1 C9 C8 118.8(2) . . ?
C10 C9 C8 122.6(2) . . ?
C11 C10 C9 118.0(2) . . ?
C11 C10 C13 121.0(2) . . ?
C9 C10 C13 121.0(2) . . ?
C10 C11 C12 120.3(2) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
N1 C12 C11 122.9(2) . . ?
N1 C12 H12 118.5 . . ?
C11 C12 H12 118.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N4 C14 N3 104.90(17) . . ?
N4 C14 Au1 132.36(15) . . ?
N3 C14 Au1 122.66(14) . . ?
N4 C14 Au1' 114.5(3) . . ?
N3 C14 Au1' 140.5(3) . . ?
C16 C15 N3 106.53(18) . . ?
C16 C15 H15 126.7 . . ?
N3 C15 H15 126.7 . . ?
C15 C16 N4 106.77(18) . . ?
C15 C16 H16 126.6 . . ?
N4 C16 H16 126.6 . . ?
C18 C17 C22 123.57(18) . . ?
C18 C17 N3 118.20(17) . . ?
C22 C17 N3 118.10(17) . . ?
C19 C18 C17 116.70(18) . . ?
C19 C18 C26 121.73(18) . . ?
C17 C18 C26 121.53(18) . . ?
C20 C19 C18 121.3(2) . . ?
C20 C19 H19 119.4 . . ?
C18 C19 H19 119.4 . . ?
C21 C20 C19 120.5(2) . . ?
C21 C20 H20 119.7 . . ?
C19 C20 H20 119.7 . . ?
C20 C21 C22 120.8(2) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C21 C22 C17 117.12(18) . . ?
C21 C22 C23 120.48(18) . . ?
C17 C22 C23 122.39(18) . . ?
C22 C23 C24 110.52(18) . . ?
C22 C23 C25 112.06(17) . . ?
C24 C23 C25 111.05(18) . . ?
C22 C23 H23 107.7 . . ?
C24 C23 H23 107.7 . . ?
C25 C23 H23 107.7 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C18 C26 C28 110.94(17) . . ?
C18 C26 C27 112.67(18) . . ?
C28 C26 C27 109.86(18) . . ?
C18 C26 H26 107.7 . . ?
C28 C26 H26 107.7 . . ?
C27 C26 H26 107.7 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C34 C29 C30 123.45(19) . . ?
C34 C29 N4 118.65(18) . . ?
C30 C29 N4 117.90(18) . . ?
C31 C30 C29 117.0(2) . . ?
C31 C30 C38 120.87(19) . . ?
C29 C30 C38 122.16(19) . . ?
C32 C31 C30 121.1(2) . . ?
C32 C31 H31 119.4 . . ?
C30 C31 H31 119.4 . . ?
C31 C32 C33 120.6(2) . . ?
C31 C32 H32 119.7 . . ?
C33 C32 H32 119.7 . . ?
C32 C33 C34 120.8(2) . . ?
C32 C33 H33 119.6 . . ?
C34 C33 H33 119.6 . . ?
C29 C34 C33 117.1(2) . . ?
C29 C34 C35 122.13(19) . . ?
C33 C34 C35 120.8(2) . . ?
C34 C35 C37 110.7(2) . . ?
C34 C35 C36 111.1(2) . . ?
C37 C35 C36 111.3(2) . . ?
C34 C35 H35 107.8 . . ?
C37 C35 H35 107.8 . . ?
C36 C35 H35 107.8 . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C30 C38 C39 110.6(2) . . ?
C30 C38 C40 111.98(19) . . ?
C39 C38 C40 111.2(2) . . ?
C30 C38 H38 107.6 . . ?
C39 C38 H38 107.6 . . ?
C40 C38 H38 107.6 . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
F6 Sb1 F4 88.93(12) . . ?
F6 Sb1 F3 90.85(13) . . ?
F4 Sb1 F3 178.62(14) . . ?
F6 Sb1 F1 89.26(19) . . ?
F4 Sb1 F1 90.27(11) . . ?
F3 Sb1 F1 91.09(14) . . ?
F6 Sb1 F5 178.25(17) . . ?
F4 Sb1 F5 90.95(10) . . ?
F3 Sb1 F5 89.30(11) . . ?
F1 Sb1 F5 89.00(14) . . ?
F6 Sb1 F2 93.11(19) . . ?
F4 Sb1 F2 88.50(13) . . ?
F3 Sb1 F2 90.15(16) . . ?
F1 Sb1 F2 177.31(16) . . ?
F5 Sb1 F2 88.63(13) . . ?
F2' Sb1' F6' 95.7(14) . . ?
F2' Sb1' F4' 93.9(14) . . ?
F6' Sb1' F4' 94.1(11) . . ?
F2' Sb1' F5' 85.0(12) . . ?
F6' Sb1' F5' 176.9(11) . . ?
F4' Sb1' F5' 88.9(9) . . ?
F2' Sb1' F3' 88.7(14) . . ?
F6' Sb1' F3' 88.0(14) . . ?
F4' Sb1' F3' 176.5(14) . . ?
F5' Sb1' F3' 89.0(12) . . ?
F2' Sb1' F1' 170.5(13) . . ?
F6' Sb1' F1' 91.0(14) . . ?
F4' Sb1' F1' 92.2(10) . . ?
F5' Sb1' F1' 88.0(11) . . ?
F3' Sb1' F1' 84.9(11) . . ?
F1" Sb1" F3" 88(2) . . ?
F1" Sb1" F5" 100(2) . . ?
F3" Sb1" F5" 98.2(16) . . ?
F1" Sb1" F2" 165(2) . . ?
F3" Sb1" F2" 107.0(19) . . ?
F5" Sb1" F2" 81.2(18) . . ?
F1" Sb1" F4" 123.8(19) . . ?
F3" Sb1" F4" 148.2(18) . . ?
F5" Sb1" F4" 77.5(14) . . ?
F2" Sb1" F4" 41.3(14) . . ?
F1" Sb1" F6" 94(3) . . ?
F3" Sb1" F6" 94.2(19) . . ?
F5" Sb1" F6" 162(2) . . ?
F2" Sb1" F6" 83(3) . . ?
F4" Sb1" F6" 85(2) . . ?
F4" F2" Sb1" 72.5(17) . . ?
F2" F4" Sb1" 66.1(16) . . ?

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
C12 N1 C1 C9 -2.8(3) . . . . ?
Au1 N1 C1 C9 173.15(14) . . . . ?
Au1' N1 C1 C9 175.56(18) . . . . ?
C12 N1 C1 C2 177.29(18) . . . . ?
Au1 N1 C1 C2 -6.7(3) . . . . ?
Au1' N1 C1 C2 -4.3(2) . . . . ?
C3 N2 C2 C6 0.6(3) . . . . ?
Au1' N2 C2 C6 -177.14(19) . . . . ?
C3 N2 C2 C1 -178.89(19) . . . . ?
Au1' N2 C2 C1 3.4(3) . . . . ?
N1 C1 C2 N2 0.9(3) . . . . ?
C9 C1 C2 N2 -178.94(18) . . . . ?
N1 C1 C2 C6 -178.59(18) . . . . ?
C9 C1 C2 C6 1.5(3) . . . . ?
C2 N2 C3 C4 0.9(3) . . . . ?
Au1' N2 C3 C4 178.5(2) . . . . ?
N2 C3 C4 C5 -1.4(4) . . . . ?
C3 C4 C5 C6 0.5(3) . . . . ?
C4 C5 C6 C2 0.9(3) . . . . ?
C4 C5 C6 C7 -179.4(2) . . . . ?
N2 C2 C6 C5 -1.5(3) . . . . ?
C1 C2 C6 C5 178.02(18) . . . . ?
N2 C2 C6 C7 178.82(19) . . . . ?
C1 C2 C6 C7 -1.7(3) . . . . ?
C5 C6 C7 C8 -179.0(2) . . . . ?
C2 C6 C7 C8 0.7(3) . . . . ?
C6 C7 C8 C9 0.5(3) . . . . ?
N1 C1 C9 C10 0.6(3) . . . . ?
C2 C1 C9 C10 -179.57(18) . . . . ?
N1 C1 C9 C8 179.74(18) . . . . ?
C2 C1 C9 C8 -0.4(3) . . . . ?
C7 C8 C9 C1 -0.6(3) . . . . ?
C7 C8 C9 C10 178.5(2) . . . . ?
C1 C9 C10 C11 2.5(3) . . . . ?
C8 C9 C10 C11 -176.68(19) . . . . ?
C1 C9 C10 C13 -176.9(2) . . . . ?
C8 C9 C10 C13 4.0(3) . . . . ?
C9 C10 C11 C12 -3.2(3) . . . . ?
C13 C10 C11 C12 176.1(2) . . . . ?
C1 N1 C12 C11 2.1(3) . . . . ?
Au1 N1 C12 C11 -174.33(16) . . . . ?
Au1' N1 C12 C11 -176.00(19) . . . . ?
C10 C11 C12 N1 1.0(3) . . . . ?
C16 N4 C14 N3 -0.2(2) . . . . ?
C29 N4 C14 N3 -179.78(17) . . . . ?
C16 N4 C14 Au1 176.59(15) . . . . ?
C29 N4 C14 Au1 -3.0(3) . . . . ?
C16 N4 C14 Au1' 176.92(18) . . . . ?
C29 N4 C14 Au1' -2.6(3) . . . . ?
C15 N3 C14 N4 0.4(2) . . . . ?
C17 N3 C14 N4 178.76(16) . . . . ?
C15 N3 C14 Au1 -176.82(13) . . . . ?
C17 N3 C14 Au1 1.5(2) . . . . ?
C15 N3 C14 Au1' -175.5(3) . . . . ?
C17 N3 C14 Au1' 2.8(4) . . . . ?
C14 N3 C15 C16 -0.4(2) . . . . ?
C17 N3 C15 C16 -178.67(18) . . . . ?
N3 C15 C16 N4 0.3(2) . . . . ?
C14 N4 C16 C15 0.0(2) . . . . ?
C29 N4 C16 C15 179.53(18) . . . . ?
C14 N3 C17 C18 99.2(2) . . . . ?
C15 N3 C17 C18 -82.7(2) . . . . ?
C14 N3 C17 C22 -76.8(2) . . . . ?
C15 N3 C17 C22 101.3(2) . . . . ?
C22 C17 C18 C19 2.8(3) . . . . ?
N3 C17 C18 C19 -172.96(17) . . . . ?
C22 C17 C18 C26 -179.46(18) . . . . ?
N3 C17 C18 C26 4.8(3) . . . . ?
C17 C18 C19 C20 -1.3(3) . . . . ?
C26 C18 C19 C20 -179.0(2) . . . . ?
C18 C19 C20 C21 -0.9(3) . . . . ?
C19 C20 C21 C22 1.7(3) . . . . ?
C20 C21 C22 C17 -0.2(3) . . . . ?
C20 C21 C22 C23 -179.09(19) . . . . ?
C18 C17 C22 C21 -2.1(3) . . . . ?
N3 C17 C22 C21 173.71(17) . . . . ?
C18 C17 C22 C23 176.76(19) . . . . ?
N3 C17 C22 C23 -7.5(3) . . . . ?
C21 C22 C23 C24 69.8(2) . . . . ?
C17 C22 C23 C24 -109.0(2) . . . . ?
C21 C22 C23 C25 -54.7(3) . . . . ?
C17 C22 C23 C25 126.6(2) . . . . ?
C19 C18 C26 C28 90.1(2) . . . . ?
C17 C18 C26 C28 -87.6(2) . . . . ?
C19 C18 C26 C27 -33.6(3) . . . . ?
C17 C18 C26 C27 148.8(2) . . . . ?
C14 N4 C29 C34 -93.7(2) . . . . ?
C16 N4 C29 C34 86.8(3) . . . . ?
C14 N4 C29 C30 87.1(2) . . . . ?
C16 N4 C29 C30 -92.3(2) . . . . ?
C34 C29 C30 C31 0.9(3) . . . . ?
N4 C29 C30 C31 179.95(19) . . . . ?
C34 C29 C30 C38 179.6(2) . . . . ?
N4 C29 C30 C38 -1.3(3) . . . . ?
C29 C30 C31 C32 -1.1(3) . . . . ?
C38 C30 C31 C32 -179.9(2) . . . . ?
C30 C31 C32 C33 0.7(4) . . . . ?
C31 C32 C33 C34 0.1(3) . . . . ?
C30 C29 C34 C33 -0.2(3) . . . . ?
N4 C29 C34 C33 -179.25(19) . . . . ?
C30 C29 C34 C35 -179.9(2) . . . . ?
N4 C29 C34 C35 1.1(3) . . . . ?
C32 C33 C34 C29 -0.3(3) . . . . ?
C32 C33 C34 C35 179.4(2) . . . . ?
C29 C34 C35 C37 -117.9(2) . . . . ?
C33 C34 C35 C37 62.4(3) . . . . ?
C29 C34 C35 C36 117.8(2) . . . . ?
C33 C34 C35 C36 -61.8(3) . . . . ?
C31 C30 C38 C39 68.0(3) . . . . ?
C29 C30 C38 C39 -110.7(2) . . . . ?
C31 C30 C38 C40 -56.7(3) . . . . ?
C29 C30 C38 C40 124.6(2) . . . . ?
F1" Sb1" F2" F4" -13(10) . . . . ?
F3" Sb1" F2" F4" 177(2) . . . . ?
F5" Sb1" F2" F4" 81(2) . . . . ?
F6" Sb1" F2" F4" -91(2) . . . . ?

_refine_diff_density_max         0.745
_refine_diff_density_min         -0.553
_refine_diff_density_rms         0.067

####################################################################### 
# 
# 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_m21267
_database_code_depnum_ccdc_archive 'CCDC 2253716'
loop_
_audit_author_name
_audit_author_address
'Sean Parkin'
;UKy
United States of America
;
# CIF edited on-the-fly by script CIFFIX (S. Parkin, 2000-2017). 
# CIFFIX: https://xray.uky.edu/Resources/scripts/ciffix 
_audit_update_record             
;
2023-04-03 deposited with the CCDC.	2023-05-22 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3

_shelx_SHELXL_version_number     2018/3

_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '2(C51 H52 Au N4), 2(F6 Sb), C4 H10 O'
_chemical_formula_sum            'C106 H114 Au2 F12 N8 O Sb2'
_chemical_formula_weight         2381.48

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'
Au Au -2.0133 8.8022 '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'
N N 0.0061 0.0033 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

_shelx_space_group_comment       
; 
The symmetry employed for this shelxl refinement is uniquely defined 
by the following loop, which should always be used as a source of 
symmetry information in preference to the above space-group names. 
They are only intended as comments. 
;

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

_cell_length_a                   10.4178(4)
_cell_length_b                   16.1533(4)
_cell_length_c                   16.1847(5)
_cell_angle_alpha                106.482(1)
_cell_angle_beta                 101.039(1)
_cell_angle_gamma                102.444(1)
_cell_volume                     2455.76(14)
_cell_formula_units_Z            1
_cell_measurement_temperature    90.0(2)
_cell_measurement_reflns_used    9307
_cell_measurement_theta_min      2.24
_cell_measurement_theta_max      27.47

_exptl_crystal_description       'irregular block'
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_F_000             1182
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_exptl_absorpt_coefficient_mu    3.597
_shelx_estimated_absorpt_T_min   0.533
_shelx_estimated_absorpt_T_max   0.715
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.636
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_process_details   'SADABS (Krause et al., 2015)'
_exptl_absorpt_special_details   
; 
In addition to absorption, multi-scan techniques also correct other slowly 
varying changes in scale factor over reciprocal space, such as those caused 
by X-ray beam inhomogeneity, goniometer imperfection, crystal decomposition, 
crystal longer than the X-ray beam cross section, absorption by the crystal 
mount etc.  These account, by and large, for much of the difference between 
estimated values of Tmin and Tmax and the _exptl_absorpt_correction_ values. 
;

_exptl_special_details           
; 
The crystal was mounted using polyisobutene oil on the tip of a fine glass 
fibre, which was fastened in a copper mounting pin with electrical solder. 
It was placed directly into the cold gas stream of a liquid-nitrogen based 
cryostat (Hope, 1994; Parkin & Hope, 1998). 
 
Diffraction data were collected with the crystal at 90K, which is standard 
practice in this laboratory for the majority of flash-cooled crystals. 
;

_diffrn_ambient_temperature      90.0(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   microsource
_diffrn_measurement_device_type  'Bruker D8 Venture dual source'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean 7.41
_diffrn_reflns_number            81762
_diffrn_reflns_av_unetI/netI     0.0211
_diffrn_reflns_av_R_equivalents  0.0346
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.079
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 1.000

_reflns_number_total             11245
_reflns_number_gt                10642
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .
_reflns_special_details          
; 
Reflections were merged by SHELXL according to the crystal 
class for the calculation of statistics and refinement. 
 
_reflns_Friedel_fraction is defined as the number of unique 
Friedel pairs measured divided by the number that would be 
possible theoretically, ignoring centric projections and 
systematic absences. 
;

_computing_data_collection       'APEX3 (Bruker-AXS, 2016)'
_computing_cell_refinement       'APEX3 (Bruker-AXS, 2016)'
_computing_data_reduction        'APEX3 (Bruker-AXS, 2016)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  
'SHELX (Sheldrick, 2008) and CIFFIX (Parkin, 2013)'

_refine_special_details          
; 
Refinement progress was checked using Platon (Spek, 2009) and by 
an R-tensor (Parkin, 2000). The final model was further checked 
with the IUCr utility checkCIF. 
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0099P)²+2.1547P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   difmap
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         11245
_refine_ls_number_parameters     623
_refine_ls_number_restraints     29
_refine_ls_R_factor_all          0.0189
_refine_ls_R_factor_gt           0.0165
_refine_ls_wR_factor_ref         0.0366
_refine_ls_wR_factor_gt          0.0356
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_restrained_S_all      1.038
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.57820(2) 0.69962(2) 0.21360(2) 0.01259(2) Uani 1 1 d . . . . .
N1 N 0.50116(15) 0.6786(1) 0.07723(10) 0.0148(3) Uani 1 1 d . . . . .
N2 N 0.45329(16) 0.52732(10) 0.12249(10) 0.0154(3) Uani 1 1 d . . . . .
N3 N 0.71125(15) 0.83336(10) 0.39533(10) 0.0124(3) Uani 1 1 d . . . . .
N4 N 0.61563(15) 0.70669(10) 0.40585(10) 0.0137(3) Uani 1 1 d . . . . .
C1 C 0.39413(18) 0.60617(12) 0.02282(12) 0.0132(3) Uani 1 1 d . . . . .
C2 C 0.36379(18) 0.52733(12) 0.04982(12) 0.0135(3) Uani 1 1 d . . . . .
C3 C 0.5355(2) 0.74821(13) 0.04926(13) 0.0196(4) Uani 1 1 d . . . . .
H3 H 0.612342 0.797562 0.085846 0.023 Uiso 1 1 calc R U . . .
C4 C 0.4644(2) 0.75217(13) -0.03087(13) 0.0199(4) Uani 1 1 d . . . . .
H4 H 0.495851 0.801849 -0.049432 0.024 Uiso 1 1 calc R U . . .
C5 C 0.34841(19) 0.68393(12) -0.08329(12) 0.0155(4) Uani 1 1 d . . . . .
C6 C 0.31272(18) 0.60737(12) -0.05671(12) 0.0137(3) Uani 1 1 d . . . . .
C7 C 0.19965(19) 0.52983(12) -0.10857(12) 0.0154(4) Uani 1 1 d . . . . .
H7 H 0.145507 0.529088 -0.163291 0.019 Uiso 1 1 calc R U . . .
C8 C 0.16766(19) 0.45775(12) -0.08204(12) 0.0165(4) Uani 1 1 d . . . . .
H8 H 0.091456 0.407829 -0.118347 0.020 Uiso 1 1 calc R U . . .
C9 C 0.24588(19) 0.45476(12) -0.00045(12) 0.0143(3) Uani 1 1 d . . . . .
C10 C 0.21505(19) 0.38187(12) 0.03206(12) 0.0167(4) Uani 1 1 d . . . . .
C11 C 0.3072(2) 0.38411(12) 0.10694(13) 0.0197(4) Uani 1 1 d . . . . .
H11 H 0.290374 0.336194 0.130149 0.024 Uiso 1 1 calc R U . . .
C12 C 0.4250(2) 0.45668(12) 0.14865(12) 0.0182(4) Uani 1 1 d . . . . .
H12 H 0.488286 0.455170 0.198577 0.022 Uiso 1 1 calc R U . . .
C13 C 0.2645(2) 0.69346(12) -0.16330(12) 0.0166(4) Uani 1 1 d . . . . .
C14 C 0.3262(2) 0.71514(13) -0.22665(13) 0.0201(4) Uani 1 1 d . . . . .
H14 H 0.420327 0.720122 -0.220403 0.024 Uiso 1 1 calc R U . . .
C15 C 0.2496(2) 0.72945(14) -0.29903(14) 0.0272(5) Uani 1 1 d . . . . .
H15 H 0.291219 0.743292 -0.342682 0.033 Uiso 1 1 calc R U . . .
C16 C 0.1133(2) 0.72357(15) -0.30749(15) 0.0310(5) Uani 1 1 d . . . . .
H16 H 0.061639 0.734139 -0.356582 0.037 Uiso 1 1 calc R U . . .
C17 C 0.0515(2) 0.70238(15) -0.24489(15) 0.0302(5) Uani 1 1 d . . . . .
H17 H -0.042398 0.698361 -0.251070 0.036 Uiso 1 1 calc R U . . .
C18 C 0.1263(2) 0.68698(13) -0.17313(14) 0.0226(4) Uani 1 1 d . . . . .
H18 H 0.083374 0.671947 -0.130459 0.027 Uiso 1 1 calc R U . . .
C19 C 0.0895(2) 0.30430(12) -0.01098(12) 0.0186(4) Uani 1 1 d . . . . .
C20 C -0.0384(2) 0.31591(13) -0.03964(13) 0.0207(4) Uani 1 1 d . . . . .
H20 H -0.046740 0.374697 -0.033134 0.025 Uiso 1 1 calc R U . . .
C21 C -0.1540(2) 0.24180(14) -0.07771(13) 0.0245(4) Uani 1 1 d . . . . .
H21 H -0.240723 0.250181 -0.097344 0.029 Uiso 1 1 calc R U . . .
C22 C -0.1429(2) 0.15573(14) -0.08708(14) 0.0283(5) Uani 1 1 d . . . . .
H22 H -0.221777 0.105210 -0.113585 0.034 Uiso 1 1 calc R U . . .
C23 C -0.0174(2) 0.14362(14) -0.05788(15) 0.0301(5) Uani 1 1 d . . . . .
H23 H -0.009923 0.084748 -0.063817 0.036 Uiso 1 1 calc R U . . .
C24 C 0.0982(2) 0.21715(13) -0.01984(14) 0.0242(4) Uani 1 1 d . . . . .
H24 H 0.184273 0.208195 0.000426 0.029 Uiso 1 1 calc R U . . .
C25 C 0.64090(18) 0.74702(12) 0.34543(12) 0.0129(3) Uani 1 1 d . . . . .
C26 C 0.73084(19) 0.84667(12) 0.48555(12) 0.0165(4) Uani 1 1 d . . . . .
H26 H 0.778109 0.901252 0.533649 0.020 Uiso 1 1 calc R U . . .
C27 C 0.6700(2) 0.76730(12) 0.49201(12) 0.0181(4) Uani 1 1 d . . . . .
H27 H 0.665244 0.755210 0.545646 0.022 Uiso 1 1 calc R U . . .
C28 C 0.76360(18) 0.90153(11) 0.35871(11) 0.0133(3) Uani 1 1 d . . . . .
C29 C 0.68605(19) 0.95924(12) 0.34434(12) 0.0165(4) Uani 1 1 d . . . . .
C30 C 0.7401(2) 1.02367(14) 0.30840(14) 0.0247(4) Uani 1 1 d . . . . .
H30 H 0.690160 1.063800 0.296910 0.030 Uiso 1 1 calc R U . . .
C31 C 0.8644(2) 1.03005(14) 0.28936(15) 0.0266(5) Uani 1 1 d . . . . .
H31 H 0.899669 1.074857 0.265659 0.032 Uiso 1 1 calc R U . . .
C32 C 0.9385(2) 0.97163(13) 0.30449(14) 0.0236(4) Uani 1 1 d . . . . .
H32 H 1.023912 0.976574 0.290751 0.028 Uiso 1 1 calc R U . . .
C33 C 0.88927(19) 0.90575(12) 0.33960(12) 0.0164(4) Uani 1 1 d . . . . .
C34 C 0.97025(19) 0.84089(13) 0.35421(13) 0.0195(4) Uani 1 1 d . . . . .
H34 H 0.922536 0.802890 0.384635 0.023 Uiso 1 1 calc R U . . .
C35 C 1.1143(2) 0.89101(15) 0.41430(18) 0.0366(6) Uani 1 1 d . . . . .
H35A H 1.164289 0.847461 0.421374 0.055 Uiso 1 1 calc R U . . .
H35B H 1.109465 0.926872 0.473050 0.055 Uiso 1 1 calc R U . . .
H35C H 1.161664 0.930937 0.387104 0.055 Uiso 1 1 calc R U . . .
C36 C 0.9733(2) 0.77869(15) 0.26450(16) 0.0325(5) Uani 1 1 d . . . . .
H36A H 0.879681 0.747670 0.227065 0.049 Uiso 1 1 calc R U . . .
H36B H 1.019508 0.734130 0.274364 0.049 Uiso 1 1 calc R U . . .
H36C H 1.022707 0.814287 0.234394 0.049 Uiso 1 1 calc R U . . .
C37 C 0.54774(19) 0.95118(13) 0.36271(13) 0.0204(4) Uani 1 1 d . . . . .
H37 H 0.538225 0.912488 0.400962 0.024 Uiso 1 1 calc R U . . .
C38 C 0.5327(2) 1.04290(14) 0.41357(15) 0.0266(5) Uani 1 1 d . . . . .
H38A H 0.539933 1.081815 0.376949 0.040 Uiso 1 1 calc R U . . .
H38B H 0.605017 1.071115 0.469919 0.040 Uiso 1 1 calc R U . . .
H38C H 0.443422 1.034330 0.426326 0.040 Uiso 1 1 calc R U . . .
C39 C 0.4347(2) 0.90451(15) 0.27536(15) 0.0289(5) Uani 1 1 d . . . . .
H39A H 0.443253 0.940387 0.235923 0.043 Uiso 1 1 calc R U . . .
H39B H 0.345614 0.898636 0.288149 0.043 Uiso 1 1 calc R U . . .
H39C H 0.442719 0.844551 0.245898 0.043 Uiso 1 1 calc R U . . .
C40 C 0.54756(19) 0.61238(11) 0.38654(12) 0.0141(3) Uani 1 1 d . . . . .
C41 C 0.62920(19) 0.55621(12) 0.39853(12) 0.0159(4) Uani 1 1 d . . . . .
C42 C 0.5626(2) 0.46716(13) 0.38614(13) 0.0201(4) Uani 1 1 d . . . . .
H42 H 0.614836 0.427203 0.394242 0.024 Uiso 1 1 calc R U . . .
C43 C 0.4221(2) 0.43615(13) 0.36234(13) 0.0234(4) Uani 1 1 d . . . . .
H43 H 0.378588 0.375338 0.354580 0.028 Uiso 1 1 calc R U . . .
C44 C 0.3442(2) 0.49302(14) 0.34971(14) 0.0232(4) Uani 1 1 d . . . . .
H44 H 0.247490 0.470508 0.332310 0.028 Uiso 1 1 calc R U . . .
C45 C 0.40556(19) 0.58311(13) 0.36212(13) 0.0182(4) Uani 1 1 d . . . . .
C46 C 0.3169(2) 0.64478(14) 0.35015(15) 0.0253(4) Uani 1 1 d . . . . .
H46 H 0.378217 0.703652 0.354579 0.030 Uiso 1 1 calc R U . . .
C47 C 0.2476(3) 0.66287(17) 0.42566(18) 0.0381(6) Uani 1 1 d . . . . .
H47A H 0.192315 0.703546 0.418158 0.057 Uiso 1 1 calc R U . . .
H47B H 0.317272 0.690790 0.483270 0.057 Uiso 1 1 calc R U . . .
H47C H 0.188856 0.605898 0.424078 0.057 Uiso 1 1 calc R U . . .
C48 C 0.2142(3) 0.6066(2) 0.25846(18) 0.0459(7) Uani 1 1 d . . . . .
H48A H 0.262045 0.592665 0.212007 0.069 Uiso 1 1 calc R U . . .
H48B H 0.166920 0.651156 0.250058 0.069 Uiso 1 1 calc R U . . .
H48C H 0.147496 0.551552 0.254250 0.069 Uiso 1 1 calc R U . . .
C49 C 0.78375(19) 0.58869(13) 0.41822(13) 0.0197(4) Uani 1 1 d . . . . .
H49 H 0.812913 0.655923 0.445028 0.024 Uiso 1 1 calc R U . . .
C50 C 0.8231(2) 0.56313(17) 0.33036(15) 0.0325(5) Uani 1 1 d . . . . .
H50A H 0.796631 0.497351 0.303253 0.049 Uiso 1 1 calc R U . . .
H50B H 0.922034 0.587258 0.341920 0.049 Uiso 1 1 calc R U . . .
H50C H 0.776018 0.588350 0.289434 0.049 Uiso 1 1 calc R U . . .
C51 C 0.8581(2) 0.5520(2) 0.48354(17) 0.0414(6) Uani 1 1 d . . . . .
H51A H 0.833393 0.486200 0.457743 0.062 Uiso 1 1 calc R U . . .
H51B H 0.832078 0.569138 0.539702 0.062 Uiso 1 1 calc R U . . .
H51C H 0.956880 0.577119 0.495317 0.062 Uiso 1 1 calc R U . . .
Sb1 Sb 0.28401(2) 0.14218(2) 0.24003(2) 0.01840(3) Uani 1 1 d . . . . .
F1 F 0.44627(12) 0.21335(8) 0.32843(8) 0.0254(3) Uani 1 1 d . . . . .
F2 F 0.11961(15) 0.07486(9) 0.15410(9) 0.0427(4) Uani 1 1 d . . . . .
F3 F 0.24897(12) 0.06947(8) 0.30978(8) 0.0269(3) Uani 1 1 d . . . . .
F4 F 0.32147(15) 0.21631(9) 0.17178(9) 0.0388(3) Uani 1 1 d . . . . .
F5 F 0.37788(16) 0.06742(9) 0.18395(9) 0.0401(3) Uani 1 1 d . . . . .
F6 F 0.19512(13) 0.21938(9) 0.30044(9) 0.0365(3) Uani 1 1 d . . . . .
C1S C 0.7456(5) 0.9937(3) 0.0563(3) 0.0439(13) Uani 0.5 1 d D U P A -1
H1SA H 0.727033 0.959620 0.096140 0.066 Uiso 0.5 1 calc R U P A -1
H1SB H 0.833146 1.040604 0.084664 0.066 Uiso 0.5 1 calc R U P A -1
H1SC H 0.749686 0.952883 -0.000330 0.066 Uiso 0.5 1 calc R U P A -1
C2S C 0.6339(6) 1.0367(4) 0.0385(4) 0.0375(15) Uani 0.5 1 d D U P A -1
H2SA H 0.625162 1.074881 0.095754 0.045 Uiso 0.5 1 calc R U P A -1
H2SB H 0.655815 1.075254 0.002352 0.045 Uiso 0.5 1 calc R U P A -1
O1S O 0.5096(4) 0.9678(2) -0.0083(2) 0.0350(8) Uani 0.5 1 d D U P A -1
C3S C 0.4002(7) 1.0028(4) -0.0294(4) 0.0362(14) Uani 0.5 1 d D U P A -1
H3SA H 0.419835 1.039837 -0.067387 0.043 Uiso 0.5 1 calc R U P A -1
H3SB H 0.387659 1.041763 0.026100 0.043 Uiso 0.5 1 calc R U P A -1
C4S C 0.2721(6) 0.9262(3) -0.0785(3) 0.0403(12) Uani 0.5 1 d D U P A -1
H4SA H 0.195170 0.950342 -0.092200 0.061 Uiso 0.5 1 calc R U P A -1
H4SB H 0.253852 0.889337 -0.040982 0.061 Uiso 0.5 1 calc R U P A -1
H4SC H 0.284094 0.888955 -0.134357 0.061 Uiso 0.5 1 calc R U P A -1


_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 C25 1.9720(18) . ?
Au1 N1 2.1000(15) . ?
N1 C3 1.332(2) . ?
N1 C1 1.366(2) . ?
N2 C12 1.321(2) . ?
N2 C2 1.354(2) . ?
N3 C25 1.352(2) . ?
N3 C26 1.382(2) . ?
N3 C28 1.448(2) . ?
N4 C25 1.355(2) . ?
N4 C27 1.381(2) . ?
N4 C40 1.449(2) . ?
C1 C6 1.407(2) . ?
C1 C2 1.452(2) . ?
C2 C9 1.414(2) . ?
C3 C4 1.391(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.420(2) . ?
C5 C13 1.484(3) . ?
C6 C7 1.432(2) . ?
C7 C8 1.350(3) . ?
C7 H7 0.9500 . ?
C8 C9 1.432(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.421(2) . ?
C10 C11 1.381(3) . ?
C10 C19 1.488(3) . ?
C11 C12 1.396(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.395(3) . ?
C13 C18 1.395(3) . ?
C14 C15 1.392(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.380(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.382(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.396(3) . ?
C19 C24 1.398(3) . ?
C20 C21 1.392(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.378(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C26 C27 1.344(3) . ?
C26 H26 0.9500 . ?
C27 H27 0.9500 . ?
C28 C33 1.394(3) . ?
C28 C29 1.397(3) . ?
C29 C30 1.398(3) . ?
C29 C37 1.512(3) . ?
C30 C31 1.377(3) . ?
C30 H30 0.9500 . ?
C31 C32 1.385(3) . ?
C31 H31 0.9500 . ?
C32 C33 1.392(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.520(3) . ?
C34 C36 1.524(3) . ?
C34 C35 1.524(3) . ?
C34 H34 1.0000 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C39 1.526(3) . ?
C37 C38 1.535(3) . ?
C37 H37 1.0000 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 C45 1.392(3) . ?
C40 C41 1.398(3) . ?
C41 C42 1.394(3) . ?
C41 C49 1.521(3) . ?
C42 C43 1.378(3) . ?
C42 H42 0.9500 . ?
C43 C44 1.381(3) . ?
C43 H43 0.9500 . ?
C44 C45 1.397(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.524(3) . ?
C46 C48 1.522(3) . ?
C46 C47 1.524(3) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 C51 1.519(3) . ?
C49 C50 1.524(3) . ?
C49 H49 1.0000 . ?
C50 H50A 0.9800 . ?
C50 H50B 0.9800 . ?
C50 H50C 0.9800 . ?
C51 H51A 0.9800 . ?
C51 H51B 0.9800 . ?
C51 H51C 0.9800 . ?
Sb1 F5 1.8616(13) . ?
Sb1 F2 1.8647(13) . ?
Sb1 F3 1.8741(11) . ?
Sb1 F4 1.8763(12) . ?
Sb1 F6 1.8764(13) . ?
Sb1 F1 1.8786(11) . ?
C1S C2S 1.500(7) . ?
C1S H1SA 0.9800 . ?
C1S H1SB 0.9800 . ?
C1S H1SC 0.9800 . ?
C2S O1S 1.419(6) . ?
C2S H2SA 0.9900 . ?
C2S H2SB 0.9900 . ?
O1S C3S 1.405(6) . ?
C3S C4S 1.506(6) . ?
C3S H3SA 0.9900 . ?
C3S H3SB 0.9900 . ?
C4S H4SA 0.9800 . ?
C4S H4SB 0.9800 . ?
C4S H4SC 0.9800 . ?

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
C25 Au1 N1 166.35(6) . . ?
C3 N1 C1 118.25(16) . . ?
C3 N1 Au1 117.53(12) . . ?
C1 N1 Au1 122.20(12) . . ?
C12 N2 C2 117.44(16) . . ?
C25 N3 C26 111.01(15) . . ?
C25 N3 C28 124.19(15) . . ?
C26 N3 C28 124.76(15) . . ?
C25 N4 C27 110.72(15) . . ?
C25 N4 C40 126.54(15) . . ?
C27 N4 C40 122.67(15) . . ?
N1 C1 C6 121.61(16) . . ?
N1 C1 C2 118.26(16) . . ?
C6 C1 C2 120.12(16) . . ?
N2 C2 C9 123.38(16) . . ?
N2 C2 C1 117.04(15) . . ?
C9 C2 C1 119.58(16) . . ?
N1 C3 C4 123.23(17) . . ?
N1 C3 H3 118.4 . . ?
C4 C3 H3 118.4 . . ?
C5 C4 C3 119.89(17) . . ?
C5 C4 H4 120.1 . . ?
C3 C4 H4 120.1 . . ?
C4 C5 C6 117.81(17) . . ?
C4 C5 C13 119.56(16) . . ?
C6 C5 C13 122.62(16) . . ?
C1 C6 C5 118.80(16) . . ?
C1 C6 C7 118.19(16) . . ?
C5 C6 C7 122.98(16) . . ?
C8 C7 C6 121.98(17) . . ?
C8 C7 H7 119.0 . . ?
C6 C7 H7 119.0 . . ?
C7 C8 C9 121.57(17) . . ?
C7 C8 H8 119.2 . . ?
C9 C8 H8 119.2 . . ?
C2 C9 C10 117.59(16) . . ?
C2 C9 C8 118.29(16) . . ?
C10 C9 C8 124.09(16) . . ?
C11 C10 C9 117.64(17) . . ?
C11 C10 C19 119.31(17) . . ?
C9 C10 C19 123.05(17) . . ?
C10 C11 C12 120.13(17) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
N2 C12 C11 123.61(17) . . ?
N2 C12 H12 118.2 . . ?
C11 C12 H12 118.2 . . ?
C14 C13 C18 119.32(18) . . ?
C14 C13 C5 119.69(17) . . ?
C18 C13 C5 120.84(17) . . ?
C15 C14 C13 119.93(19) . . ?
C15 C14 H14 120.0 . . ?
C13 C14 H14 120.0 . . ?
C16 C15 C14 120.1(2) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C15 C16 C17 120.3(2) . . ?
C15 C16 H16 119.8 . . ?
C17 C16 H16 119.8 . . ?
C16 C17 C18 120.1(2) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 120.23(19) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C20 C19 C24 118.53(18) . . ?
C20 C19 C10 122.05(17) . . ?
C24 C19 C10 119.36(18) . . ?
C21 C20 C19 120.36(19) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C22 C21 C20 120.2(2) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C23 C22 C21 119.92(19) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.2(2) . . ?
C22 C23 H23 119.9 . . ?
C24 C23 H23 119.9 . . ?
C23 C24 C19 120.8(2) . . ?
C23 C24 H24 119.6 . . ?
C19 C24 H24 119.6 . . ?
N3 C25 N4 104.67(15) . . ?
N3 C25 Au1 125.08(13) . . ?
N4 C25 Au1 130.01(13) . . ?
C27 C26 N3 106.62(16) . . ?
C27 C26 H26 126.7 . . ?
N3 C26 H26 126.7 . . ?
C26 C27 N4 106.97(16) . . ?
C26 C27 H27 126.5 . . ?
N4 C27 H27 126.5 . . ?
C33 C28 C29 123.57(16) . . ?
C33 C28 N3 117.84(16) . . ?
C29 C28 N3 118.59(16) . . ?
C28 C29 C30 116.64(18) . . ?
C28 C29 C37 122.50(16) . . ?
C30 C29 C37 120.82(17) . . ?
C31 C30 C29 121.25(19) . . ?
C31 C30 H30 119.4 . . ?
C29 C30 H30 119.4 . . ?
C30 C31 C32 120.49(18) . . ?
C30 C31 H31 119.8 . . ?
C32 C31 H31 119.8 . . ?
C31 C32 C33 120.76(19) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
C32 C33 C28 117.28(17) . . ?
C32 C33 C34 120.25(17) . . ?
C28 C33 C34 122.47(16) . . ?
C33 C34 C36 110.07(17) . . ?
C33 C34 C35 111.49(16) . . ?
C36 C34 C35 111.11(18) . . ?
C33 C34 H34 108.0 . . ?
C36 C34 H34 108.0 . . ?
C35 C34 H34 108.0 . . ?
C34 C35 H35A 109.5 . . ?
C34 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C34 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C34 C36 H36A 109.5 . . ?
C34 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C34 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C29 C37 C39 110.16(17) . . ?
C29 C37 C38 112.15(16) . . ?
C39 C37 C38 110.81(16) . . ?
C29 C37 H37 107.8 . . ?
C39 C37 H37 107.8 . . ?
C38 C37 H37 107.8 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C45 C40 C41 123.19(16) . . ?
C45 C40 N4 119.07(16) . . ?
C41 C40 N4 117.64(16) . . ?
C42 C41 C40 117.16(17) . . ?
C42 C41 C49 121.08(17) . . ?
C40 C41 C49 121.64(16) . . ?
C43 C42 C41 121.08(18) . . ?
C43 C42 H42 119.5 . . ?
C41 C42 H42 119.5 . . ?
C42 C43 C44 120.36(18) . . ?
C42 C43 H43 119.8 . . ?
C44 C43 H43 119.8 . . ?
C43 C44 C45 121.00(19) . . ?
C43 C44 H44 119.5 . . ?
C45 C44 H44 119.5 . . ?
C40 C45 C44 117.19(17) . . ?
C40 C45 C46 123.07(17) . . ?
C44 C45 C46 119.73(18) . . ?
C48 C46 C45 111.57(18) . . ?
C48 C46 C47 112.00(19) . . ?
C45 C46 C47 109.98(18) . . ?
C48 C46 H46 107.7 . . ?
C45 C46 H46 107.7 . . ?
C47 C46 H46 107.7 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C51 C49 C41 113.32(17) . . ?
C51 C49 C50 110.39(19) . . ?
C41 C49 C50 108.86(16) . . ?
C51 C49 H49 108.0 . . ?
C41 C49 H49 108.0 . . ?
C50 C49 H49 108.0 . . ?
C49 C50 H50A 109.5 . . ?
C49 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C49 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C49 C51 H51A 109.5 . . ?
C49 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C49 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
F5 Sb1 F2 91.81(7) . . ?
F5 Sb1 F3 90.02(6) . . ?
F2 Sb1 F3 90.47(6) . . ?
F5 Sb1 F4 90.13(6) . . ?
F2 Sb1 F4 90.45(6) . . ?
F3 Sb1 F4 179.07(6) . . ?
F5 Sb1 F6 177.82(6) . . ?
F2 Sb1 F6 90.31(6) . . ?
F3 Sb1 F6 89.41(6) . . ?
F4 Sb1 F6 90.40(7) . . ?
F5 Sb1 F1 90.40(6) . . ?
F2 Sb1 F1 177.77(6) . . ?
F3 Sb1 F1 89.85(5) . . ?
F4 Sb1 F1 89.22(5) . . ?
F6 Sb1 F1 87.49(6) . . ?
C2S C1S H1SA 109.5 . . ?
C2S C1S H1SB 109.5 . . ?
H1SA C1S H1SB 109.5 . . ?
C2S C1S H1SC 109.5 . . ?
H1SA C1S H1SC 109.5 . . ?
H1SB C1S H1SC 109.5 . . ?
O1S C2S C1S 108.8(4) . . ?
O1S C2S H2SA 109.9 . . ?
C1S C2S H2SA 109.9 . . ?
O1S C2S H2SB 109.9 . . ?
C1S C2S H2SB 109.9 . . ?
H2SA C2S H2SB 108.3 . . ?
C3S O1S C2S 112.2(4) . . ?
O1S C3S C4S 109.2(5) . . ?
O1S C3S H3SA 109.8 . . ?
C4S C3S H3SA 109.8 . . ?
O1S C3S H3SB 109.8 . . ?
C4S C3S H3SB 109.8 . . ?
H3SA C3S H3SB 108.3 . . ?
C3S C4S H4SA 109.5 . . ?
C3S C4S H4SB 109.5 . . ?
H4SA C4S H4SB 109.5 . . ?
C3S C4S H4SC 109.5 . . ?
H4SA C4S H4SC 109.5 . . ?
H4SB C4S H4SC 109.5 . . ?

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
C3 N1 C1 C6 -6.2(3) . . . . ?
Au1 N1 C1 C6 157.21(13) . . . . ?
C3 N1 C1 C2 174.98(17) . . . . ?
Au1 N1 C1 C2 -21.6(2) . . . . ?
C12 N2 C2 C9 -2.4(3) . . . . ?
C12 N2 C2 C1 178.61(16) . . . . ?
N1 C1 C2 N2 -7.1(2) . . . . ?
C6 C1 C2 N2 174.09(16) . . . . ?
N1 C1 C2 C9 173.90(16) . . . . ?
C6 C1 C2 C9 -4.9(3) . . . . ?
C1 N1 C3 C4 2.6(3) . . . . ?
Au1 N1 C3 C4 -161.56(16) . . . . ?
N1 C3 C4 C5 3.4(3) . . . . ?
C3 C4 C5 C6 -5.6(3) . . . . ?
C3 C4 C5 C13 173.12(18) . . . . ?
N1 C1 C6 C5 3.8(3) . . . . ?
C2 C1 C6 C5 -177.36(16) . . . . ?
N1 C1 C6 C7 -177.98(16) . . . . ?
C2 C1 C6 C7 0.8(3) . . . . ?
C4 C5 C6 C1 2.1(3) . . . . ?
C13 C5 C6 C1 -176.53(17) . . . . ?
C4 C5 C6 C7 -175.95(18) . . . . ?
C13 C5 C6 C7 5.4(3) . . . . ?
C1 C6 C7 C8 1.8(3) . . . . ?
C5 C6 C7 C8 179.93(18) . . . . ?
C6 C7 C8 C9 -0.3(3) . . . . ?
N2 C2 C9 C10 5.4(3) . . . . ?
C1 C2 C9 C10 -175.61(16) . . . . ?
N2 C2 C9 C8 -172.63(17) . . . . ?
C1 C2 C9 C8 6.3(3) . . . . ?
C7 C8 C9 C2 -3.8(3) . . . . ?
C7 C8 C9 C10 178.27(18) . . . . ?
C2 C9 C10 C11 -4.3(3) . . . . ?
C8 C9 C10 C11 173.59(18) . . . . ?
C2 C9 C10 C19 175.89(17) . . . . ?
C8 C9 C10 C19 -6.2(3) . . . . ?
C9 C10 C11 C12 0.7(3) . . . . ?
C19 C10 C11 C12 -179.51(18) . . . . ?
C2 N2 C12 C11 -1.7(3) . . . . ?
C10 C11 C12 N2 2.5(3) . . . . ?
C4 C5 C13 C14 52.3(3) . . . . ?
C6 C5 C13 C14 -129.04(19) . . . . ?
C4 C5 C13 C18 -123.4(2) . . . . ?
C6 C5 C13 C18 55.3(3) . . . . ?
C18 C13 C14 C15 -0.4(3) . . . . ?
C5 C13 C14 C15 -176.16(18) . . . . ?
C13 C14 C15 C16 1.0(3) . . . . ?
C14 C15 C16 C17 -0.8(3) . . . . ?
C15 C16 C17 C18 0.1(3) . . . . ?
C16 C17 C18 C13 0.5(3) . . . . ?
C14 C13 C18 C17 -0.3(3) . . . . ?
C5 C13 C18 C17 175.38(19) . . . . ?
C11 C10 C19 C20 136.2(2) . . . . ?
C9 C10 C19 C20 -44.0(3) . . . . ?
C11 C10 C19 C24 -41.0(3) . . . . ?
C9 C10 C19 C24 138.7(2) . . . . ?
C24 C19 C20 C21 -1.2(3) . . . . ?
C10 C19 C20 C21 -178.47(18) . . . . ?
C19 C20 C21 C22 0.3(3) . . . . ?
C20 C21 C22 C23 0.6(3) . . . . ?
C21 C22 C23 C24 -0.6(3) . . . . ?
C22 C23 C24 C19 -0.4(3) . . . . ?
C20 C19 C24 C23 1.3(3) . . . . ?
C10 C19 C24 C23 178.59(19) . . . . ?
C26 N3 C25 N4 0.6(2) . . . . ?
C28 N3 C25 N4 178.23(15) . . . . ?
C26 N3 C25 Au1 175.36(13) . . . . ?
C28 N3 C25 Au1 -7.0(2) . . . . ?
C27 N4 C25 N3 -0.1(2) . . . . ?
C40 N4 C25 N3 -177.25(16) . . . . ?
C27 N4 C25 Au1 -174.59(14) . . . . ?
C40 N4 C25 Au1 8.3(3) . . . . ?
C25 N3 C26 C27 -0.8(2) . . . . ?
C28 N3 C26 C27 -178.43(17) . . . . ?
N3 C26 C27 N4 0.7(2) . . . . ?
C25 N4 C27 C26 -0.3(2) . . . . ?
C40 N4 C27 C26 176.91(16) . . . . ?
C25 N3 C28 C33 -83.9(2) . . . . ?
C26 N3 C28 C33 93.4(2) . . . . ?
C25 N3 C28 C29 96.0(2) . . . . ?
C26 N3 C28 C29 -86.6(2) . . . . ?
C33 C28 C29 C30 0.3(3) . . . . ?
N3 C28 C29 C30 -179.63(16) . . . . ?
C33 C28 C29 C37 177.86(17) . . . . ?
N3 C28 C29 C37 -2.1(3) . . . . ?
C28 C29 C30 C31 -0.7(3) . . . . ?
C37 C29 C30 C31 -178.36(19) . . . . ?
C29 C30 C31 C32 0.8(3) . . . . ?
C30 C31 C32 C33 -0.3(3) . . . . ?
C31 C32 C33 C28 -0.1(3) . . . . ?
C31 C32 C33 C34 178.81(19) . . . . ?
C29 C28 C33 C32 0.1(3) . . . . ?
N3 C28 C33 C32 -179.95(16) . . . . ?
C29 C28 C33 C34 -178.77(17) . . . . ?
N3 C28 C33 C34 1.1(3) . . . . ?
C32 C33 C34 C36 -67.3(2) . . . . ?
C28 C33 C34 C36 111.6(2) . . . . ?
C32 C33 C34 C35 56.5(3) . . . . ?
C28 C33 C34 C35 -124.6(2) . . . . ?
C28 C29 C37 C39 -101.7(2) . . . . ?
C30 C29 C37 C39 75.8(2) . . . . ?
C28 C29 C37 C38 134.42(19) . . . . ?
C30 C29 C37 C38 -48.1(2) . . . . ?
C25 N4 C40 C45 -83.3(2) . . . . ?
C27 N4 C40 C45 99.9(2) . . . . ?
C25 N4 C40 C41 100.3(2) . . . . ?
C27 N4 C40 C41 -76.5(2) . . . . ?
C45 C40 C41 C42 -0.9(3) . . . . ?
N4 C40 C41 C42 175.40(16) . . . . ?
C45 C40 C41 C49 175.22(17) . . . . ?
N4 C40 C41 C49 -8.5(3) . . . . ?
C40 C41 C42 C43 0.5(3) . . . . ?
C49 C41 C42 C43 -175.56(18) . . . . ?
C41 C42 C43 C44 0.4(3) . . . . ?
C42 C43 C44 C45 -1.1(3) . . . . ?
C41 C40 C45 C44 0.2(3) . . . . ?
N4 C40 C45 C44 -175.99(17) . . . . ?
C41 C40 C45 C46 179.27(18) . . . . ?
N4 C40 C45 C46 3.1(3) . . . . ?
C43 C44 C45 C40 0.8(3) . . . . ?
C43 C44 C45 C46 -178.32(19) . . . . ?
C40 C45 C46 C48 125.6(2) . . . . ?
C44 C45 C46 C48 -55.4(3) . . . . ?
C40 C45 C46 C47 -109.5(2) . . . . ?
C44 C45 C46 C47 69.5(3) . . . . ?
C42 C41 C49 C51 -41.2(3) . . . . ?
C40 C41 C49 C51 142.9(2) . . . . ?
C42 C41 C49 C50 82.1(2) . . . . ?
C40 C41 C49 C50 -93.8(2) . . . . ?
C1S C2S O1S C3S -178.56(19) . . . . ?
C2S O1S C3S C4S -179.8(2) . . . . ?

_refine_diff_density_max         0.619
_refine_diff_density_min         -0.546
_refine_diff_density_rms         0.068

