# Supplementary Information (SI) for Catalysis Science & Technology.
# This journal is © The Royal Society of Chemistry 2026

####################################################################### 
# 
# 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_FRV-436
_database_code_depnum_ccdc_archive 'CCDC 2498446'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;Institut de Chimie de Toulouse CNRS
France
;
_audit_update_record             
;
2025-10-28 deposited with the CCDC.	2026-05-11 downloaded from the CCDC.
;


#----------------------------------------------------------------------------#
#                   CHEMICAL INFORMATION                                     #
#----------------------------------------------------------------------------#

_chemical_formula_moiety         'C32 H43 Au N3, F6 Sb, C H2 Cl2'
_chemical_formula_sum            'C33 H45 Au Cl2 F6 N3 Sb'
_chemical_formula_weight         987.35
_chemical_absolute_configuration ad

#----------------------------------------------------------------------------#
#                   UNIT CELL INFORMATION                                    #
#----------------------------------------------------------------------------#

_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_H-M   'P 21 21 21'
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_Int_Tables_number      19
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'

_cell_length_a                   12.5091(6)
_cell_length_b                   16.5705(8)
_cell_length_c                   18.5967(9)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3854.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9702
_cell_measurement_theta_min      5.03
_cell_measurement_theta_max      72.42

#----------------------------------------------------------------------------#
#                   CRYSTAL INFORMATION                                      #
#----------------------------------------------------------------------------#

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.701
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1928

#----------------------------------------------------------------------------#
#                   ABSORPTION CORRECTION                                    #
#----------------------------------------------------------------------------#

_exptl_absorpt_coefficient_mu    14.36
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4558
_exptl_absorpt_correction_T_max  0.7536
_exptl_absorpt_process_details   
;Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;

#----------------------------------------------------------------------------#
#                   DATA COLLECTION                                          #
#----------------------------------------------------------------------------#

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0705
_diffrn_reflns_av_unetI/netI     0.0336
_diffrn_reflns_number            88772
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         3.572
_diffrn_reflns_theta_max         72.532
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_reflns_Friedel_fraction_full    0.999
_reflns_Friedel_fraction_max     0.998
_reflns_Friedel_coverage         0.797
_reflns_number_total             7639
_reflns_number_gt                7453
_reflns_threshold_expression     'I > 2σ(I)'

#----------------------------------------------------------------------------#
#                   COMPUTER PROGRAMS USED                                   #
#----------------------------------------------------------------------------#

_computing_data_collection       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2019/3 (Sheldrick, 2015)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'


#----------------------------------------------------------------------------#
#                   STRUCTURE SOLUTION                                       #
#----------------------------------------------------------------------------#

_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap

#----------------------------------------------------------------------------#
#                   REFINEMENT INFORMATION                                   #
#----------------------------------------------------------------------------#

_shelx_SHELXL_version_number     2019/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0586P)²+4.8920P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         7639
_refine_ls_number_parameters     453
_refine_ls_number_restraints     83
_refine_ls_R_factor_all          0.0372
_refine_ls_R_factor_gt           0.0365
_refine_ls_wR_factor_ref         0.0986
_refine_ls_wR_factor_gt          0.0979
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_restrained_S_all      1.04
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_abs_structure_details 
;
 Flack x determined using 3153 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.007(7)
_refine_diff_density_max         2.46
_refine_diff_density_min         -1.097
_refine_diff_density_rms         0.1

#----------------------------------------------------------------------------#
#                   CONSTRAINTS AND RESTRAINTS                               #
#----------------------------------------------------------------------------#


#----------------------------------------------------------------------------#
#                   ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS         #
#----------------------------------------------------------------------------#

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.298 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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 0.32002(2) 0.49773(2) 0.41380(2) 0.04916(11) Uani 1 1 d . . . . .
Sb1 Sb 0.85211(5) 0.33998(4) 0.22647(3) 0.06011(16) Uani 1 1 d . . . . .
N1 N 0.5148(5) 0.3919(4) 0.4029(3) 0.0423(13) Uani 1 1 d . . . . .
N2 N 0.4434(5) 0.4115(4) 0.2996(3) 0.0418(13) Uani 1 1 d . . . . .
C1 C 0.4338(6) 0.4295(4) 0.3704(4) 0.0415(15) Uani 1 1 d . . . . .
C2 C 0.5778(6) 0.3509(5) 0.3529(4) 0.0471(16) Uani 1 1 d . . . . .
H2 H 0.640401 0.320244 0.362611 0.057 Uiso 1 1 calc R U . . .
F6 F 0.7484(7) 0.2690(5) 0.2576(8) 0.137(4) Uani 1 1 d . . . . .
F5 F 0.9557(7) 0.4107(6) 0.1950(7) 0.135(4) Uani 1 1 d . . . . .
C10 C 0.6557(9) 0.5191(6) 0.4529(6) 0.068(2) Uani 1 1 d . . . . .
H10 H 0.634206 0.504353 0.402856 0.081 Uiso 1 1 calc R U . . .
C28 C 0.1713(9) 0.6003(6) 0.4009(7) 0.075(3) Uani 1 1 d . . . . .
H28 H 0.209779 0.643928 0.380143 0.09 Uiso 1 1 calc R U . . .
C16 C 0.3723(7) 0.4411(5) 0.2452(4) 0.0509(18) Uani 1 1 d . . . . .
C3 C 0.5327(6) 0.3632(5) 0.2884(4) 0.0492(17) Uani 1 1 d . . . . .
H3 H 0.557096 0.342752 0.243559 0.059 Uiso 1 1 calc R U . . .
F1 F 0.9525(7) 0.2624(6) 0.2508(7) 0.135(4) Uani 1 1 d . . . . .
F3 F 0.7496(7) 0.4123(6) 0.1977(7) 0.141(5) Uani 1 1 d . . . . .
C8 C 0.5111(10) 0.3465(7) 0.5975(5) 0.069(3) Uani 1 1 d . . . . .
H8 H 0.476484 0.31189 0.630926 0.083 Uiso 1 1 calc R U . . .
C4 C 0.5373(7) 0.3956(5) 0.4786(4) 0.0481(17) Uani 1 1 d . . . . .
C29 C 0.1921(8) 0.5664(7) 0.4686(7) 0.073(3) Uani 1 1 d . . . . .
H29 H 0.24567 0.581876 0.502084 0.087 Uiso 1 1 calc R U . . .
C6 C 0.6284(10) 0.4573(7) 0.5765(6) 0.072(3) Uani 1 1 d . . . . .
H6 H 0.675485 0.497197 0.594997 0.087 Uiso 1 1 calc R U . . .
C13 C 0.4135(9) 0.2750(6) 0.4959(5) 0.062(2) Uani 1 1 d . . . . .
H13 H 0.409038 0.280044 0.442353 0.074 Uiso 1 1 calc R U . . .
C5 C 0.6076(8) 0.4554(6) 0.5032(5) 0.059(2) Uani 1 1 d . . . . .
C19 C 0.2292(9) 0.5018(11) 0.1492(6) 0.087(3) Uani 1 1 d . . . . .
H19 H 0.177829 0.52401 0.117168 0.104 Uiso 1 1 calc R U . . .
C9 C 0.4884(7) 0.3391(5) 0.5232(4) 0.0513(17) Uani 1 1 d . . . . .
C7 C 0.5837(11) 0.4041(7) 0.6220(6) 0.077(3) Uani 1 1 d . . . . .
H7 H 0.601765 0.405768 0.671633 0.093 Uiso 1 1 calc R U . . .
C18 C 0.3173(11) 0.5477(8) 0.1677(6) 0.081(3) Uani 1 1 d . . . . .
H18 H 0.326349 0.599839 0.147428 0.097 Uiso 1 1 calc R U . . .
C22 C 0.4894(10) 0.5657(6) 0.2347(6) 0.074(3) Uani 1 1 d . . . . .
H22 H 0.531359 0.531826 0.269069 0.089 Uiso 1 1 calc R U . . .
N3 N 0.0899(7) 0.5625(5) 0.3703(5) 0.070(2) Uani 1 1 d . . . . .
C17 C 0.3926(8) 0.5179(5) 0.2158(5) 0.059(2) Uani 1 1 d . . . . .
C11 C 0.7756(11) 0.5190(10) 0.4551(11) 0.112(5) Uani 1 1 d . . . . .
H11A H 0.803035 0.562066 0.424 0.168 Uiso 1 1 calc R U . . .
H11B H 0.802391 0.466805 0.438151 0.168 Uiso 1 1 calc R U . . .
H11C H 0.799808 0.528196 0.50456 0.168 Uiso 1 1 calc R U . . .
C30 C 0.1151(8) 0.5038(8) 0.4757(6) 0.075(3) Uani 1 1 d . . . . .
H30 H 0.107619 0.469088 0.516083 0.09 Uiso 1 1 calc R U . . .
C25 C 0.2691(8) 0.3103(7) 0.2577(6) 0.071(3) Uani 1 1 d . . . . .
H25 H 0.340292 0.290669 0.27473 0.085 Uiso 1 1 calc R U . . .
C14 C 0.4561(13) 0.1915(7) 0.5136(8) 0.090(4) Uani 1 1 d . . . . .
H14A H 0.531502 0.188009 0.499734 0.135 Uiso 1 1 calc R U . . .
H14B H 0.414927 0.150793 0.487208 0.135 Uiso 1 1 calc R U . . .
H14C H 0.449237 0.181709 0.565399 0.135 Uiso 1 1 calc R U . . .
C21 C 0.2850(7) 0.3924(6) 0.2251(5) 0.058(2) Uani 1 1 d . . . . .
C15 C 0.3004(10) 0.2843(8) 0.5267(8) 0.084(3) Uani 1 1 d . . . . .
H15A H 0.254799 0.240784 0.508386 0.126 Uiso 1 1 calc R U . . .
H15B H 0.270783 0.336517 0.51205 0.126 Uiso 1 1 calc R U . . .
H15C H 0.303348 0.281462 0.579275 0.126 Uiso 1 1 calc R U . . .
C23 C 0.4622(15) 0.6446(8) 0.2751(11) 0.118(6) Uani 1 1 d . . . . .
H23A H 0.423769 0.681206 0.242861 0.177 Uiso 1 1 calc R U . . .
H23B H 0.528479 0.6704 0.291358 0.177 Uiso 1 1 calc R U . . .
H23C H 0.417293 0.632148 0.316859 0.177 Uiso 1 1 calc R U . . .
F4 F 0.8524(15) 0.2919(9) 0.1371(6) 0.186(6) Uani 1 1 d . . . . .
F2 F 0.8460(17) 0.3832(9) 0.3162(6) 0.196(7) Uani 1 1 d . . . . .
C26 C 0.1941(11) 0.3147(9) 0.3236(7) 0.091(4) Uani 1 1 d . . . . .
H26A H 0.223038 0.353102 0.358586 0.137 Uiso 1 1 calc R U . . .
H26B H 0.188609 0.261216 0.345715 0.137 Uiso 1 1 calc R U . . .
H26C H 0.12301 0.332607 0.308141 0.137 Uiso 1 1 calc R U . . .
C31 C 0.0558(9) 0.5017(7) 0.4170(7) 0.080(3) Uani 1 1 d . . . . .
H31 H -0.000814 0.464913 0.407932 0.096 Uiso 1 1 calc R U . . .
C24 C 0.5633(17) 0.5835(16) 0.1721(10) 0.139(7) Uani 1 1 d . . . . .
H24A H 0.586369 0.532719 0.150113 0.208 Uiso 1 1 calc R U . . .
H24B H 0.625901 0.613276 0.189432 0.208 Uiso 1 1 calc R U . . .
H24C H 0.525294 0.61616 0.136337 0.208 Uiso 1 1 calc R U . . .
C12 C 0.6096(12) 0.6006(7) 0.4683(8) 0.091(4) Uani 1 1 d . . . . .
H12A H 0.64 0.621609 0.513081 0.136 Uiso 1 1 calc R U . . .
H12B H 0.531831 0.596188 0.473102 0.136 Uiso 1 1 calc R U . . .
H12C H 0.62683 0.637349 0.428641 0.136 Uiso 1 1 calc R U . . .
C20 C 0.2134(9) 0.4257(9) 0.1752(6) 0.078(3) Uani 1 1 d . . . . .
H20 H 0.153609 0.395101 0.159377 0.094 Uiso 1 1 calc R U . . .
C32 C 0.0436(13) 0.5736(11) 0.2988(8) 0.105(5) Uani 1 1 d . . . . .
H32A H 0.062038 0.627361 0.280705 0.158 Uiso 1 1 calc R U . . .
H32B H -0.034274 0.568275 0.301599 0.158 Uiso 1 1 calc R U . . .
H32C H 0.072161 0.532502 0.26605 0.158 Uiso 1 1 calc R U . . .
C27 C 0.2260(11) 0.2486(9) 0.2033(8) 0.090(4) Uani 1 1 d . . . . .
H27A H 0.15559 0.266027 0.18617 0.135 Uiso 1 1 calc R U . . .
H27B H 0.219484 0.19575 0.22663 0.135 Uiso 1 1 calc R U . . .
H27C H 0.275277 0.244554 0.162553 0.135 Uiso 1 1 calc R U . . .
Cl1 Cl 0.491(2) 0.3377(14) 0.0847(10) 0.156(9) Uani 0.57(2) 1 d D U P A 1
C33 C 0.606(2) 0.288(2) 0.0565(12) 0.110(9) Uani 0.57(2) 1 d D U P A 1
H33A H 0.66901 0.322921 0.062393 0.132 Uiso 0.57(2) 1 calc R U P A 1
H33B H 0.616789 0.238119 0.085364 0.132 Uiso 0.57(2) 1 calc R U P A 1
Cl2 Cl 0.5880(16) 0.2634(9) -0.0329(6) 0.161(8) Uani 0.57(2) 1 d D U P A 1
Cl1' Cl 0.4780(17) 0.3192(13) 0.0937(9) 0.096(4) Uani 0.43(2) 1 d D U P A 2
C33' C 0.524(2) 0.299(2) 0.0060(15) 0.090(9) Uani 0.43(2) 1 d D U P A 2
H33C H 0.468013 0.269215 -0.020697 0.108 Uiso 0.43(2) 1 calc R U P A 2
H33D H 0.536672 0.350732 -0.019297 0.108 Uiso 0.43(2) 1 calc R U P A 2
Cl2' Cl 0.6402(9) 0.2432(7) 0.0063(10) 0.116(6) Uani 0.43(2) 1 d D U P A 2



#----------------------------------------------------------------------------#
#                   MOLECULAR GEOMETRY                                       #
#----------------------------------------------------------------------------#

_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 C1 1.989(7) . ?
Au1 C29 2.212(10) . ?
Au1 C28 2.532(11) . ?
Sb1 F2 1.817(10) . ?
Sb1 F3 1.835(8) . ?
Sb1 F5 1.842(8) . ?
Sb1 F4 1.843(10) . ?
Sb1 F6 1.844(8) . ?
Sb1 F1 1.853(8) . ?
N1 C1 1.335(9) . ?
N1 C2 1.396(10) . ?
N1 C4 1.437(10) . ?
N2 C1 1.355(10) . ?
N2 C3 1.390(10) . ?
N2 C16 1.433(10) . ?
C2 C3 1.341(12) . ?
C2 H2 0.95 . ?
C10 C12 1.496(16) . ?
C10 C11 1.500(17) . ?
C10 C5 1.534(14) . ?
C10 H10 1 . ?
C28 N3 1.325(15) . ?
C28 C29 1.402(17) . ?
C28 H28 0.95 . ?
C16 C21 1.408(13) . ?
C16 C17 1.410(13) . ?
C3 H3 0.95 . ?
C8 C7 1.395(18) . ?
C8 C9 1.416(12) . ?
C8 H8 0.95 . ?
C4 C9 1.393(12) . ?
C4 C5 1.401(13) . ?
C29 C30 1.423(17) . ?
C29 H29 0.95 . ?
C6 C7 1.344(18) . ?
C6 C5 1.388(14) . ?
C6 H6 0.95 . ?
C13 C9 1.505(14) . ?
C13 C14 1.520(15) . ?
C13 C15 1.534(15) . ?
C13 H13 1 . ?
C19 C20 1.36(2) . ?
C19 C18 1.38(2) . ?
C19 H19 0.95 . ?
C7 H7 0.95 . ?
C18 C17 1.389(13) . ?
C18 H18 0.95 . ?
C22 C17 1.488(15) . ?
C22 C24 1.52(2) . ?
C22 C23 1.545(18) . ?
C22 H22 1 . ?
N3 C31 1.395(15) . ?
N3 C32 1.462(17) . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C30 C31 1.321(16) . ?
C30 H30 0.95 . ?
C25 C21 1.502(15) . ?
C25 C27 1.536(17) . ?
C25 C26 1.545(16) . ?
C25 H25 1 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C21 C20 1.403(15) . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C23 H23A 0.98 . ?
C23 H23B 0.98 . ?
C23 H23C 0.98 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C31 H31 0.95 . ?
C24 H24A 0.98 . ?
C24 H24B 0.98 . ?
C24 H24C 0.98 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C20 H20 0.95 . ?
C32 H32A 0.98 . ?
C32 H32B 0.98 . ?
C32 H32C 0.98 . ?
C27 H27A 0.98 . ?
C27 H27B 0.98 . ?
C27 H27C 0.98 . ?
Cl1 C33 1.74(3) . ?
C33 Cl2 1.73(2) . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
Cl1' C33' 1.76(3) . ?
C33' Cl2' 1.72(2) . ?
C33' H33C 0.99 . ?
C33' H33D 0.99 . ?

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
C1 Au1 C29 175.6(4) . . ?
C1 Au1 C28 150.4(3) . . ?
C29 Au1 C28 33.5(4) . . ?
F2 Sb1 F3 88.9(8) . . ?
F2 Sb1 F5 94.0(7) . . ?
F3 Sb1 F5 89.0(4) . . ?
F2 Sb1 F4 176.7(8) . . ?
F3 Sb1 F4 91.2(7) . . ?
F5 Sb1 F4 89.3(7) . . ?
F2 Sb1 F6 86.2(7) . . ?
F3 Sb1 F6 90.9(4) . . ?
F5 Sb1 F6 179.8(7) . . ?
F4 Sb1 F6 90.5(7) . . ?
F2 Sb1 F1 94.4(7) . . ?
F3 Sb1 F1 176.2(6) . . ?
F5 Sb1 F1 92.4(4) . . ?
F4 Sb1 F1 85.4(7) . . ?
F6 Sb1 F1 87.6(4) . . ?
C1 N1 C2 110.7(6) . . ?
C1 N1 C4 124.9(6) . . ?
C2 N1 C4 124.3(6) . . ?
C1 N2 C3 110.1(6) . . ?
C1 N2 C16 123.7(6) . . ?
C3 N2 C16 126.1(7) . . ?
N1 C1 N2 105.7(6) . . ?
N1 C1 Au1 128.7(6) . . ?
N2 C1 Au1 125.7(5) . . ?
C3 C2 N1 106.5(7) . . ?
C3 C2 H2 126.7 . . ?
N1 C2 H2 126.7 . . ?
C12 C10 C11 112.4(11) . . ?
C12 C10 C5 110.7(10) . . ?
C11 C10 C5 112.1(10) . . ?
C12 C10 H10 107.1 . . ?
C11 C10 H10 107.1 . . ?
C5 C10 H10 107.1 . . ?
N3 C28 C29 109.8(10) . . ?
N3 C28 Au1 106.7(6) . . ?
C29 C28 Au1 60.6(6) . . ?
N3 C28 H28 125.1 . . ?
C29 C28 H28 125.1 . . ?
Au1 C28 H28 100.2 . . ?
C21 C16 C17 123.7(8) . . ?
C21 C16 N2 118.2(8) . . ?
C17 C16 N2 118.1(8) . . ?
C2 C3 N2 106.9(7) . . ?
C2 C3 H3 126.5 . . ?
N2 C3 H3 126.5 . . ?
C7 C8 C9 120.6(10) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 H8 119.7 . . ?
C9 C4 C5 123.8(8) . . ?
C9 C4 N1 117.9(8) . . ?
C5 C4 N1 118.3(8) . . ?
C28 C29 C30 104.5(10) . . ?
C28 C29 Au1 85.8(7) . . ?
C30 C29 Au1 99.0(7) . . ?
C28 C29 H29 127.7 . . ?
C30 C29 H29 127.7 . . ?
Au1 C29 H29 86 . . ?
C7 C6 C5 121.7(11) . . ?
C7 C6 H6 119.2 . . ?
C5 C6 H6 119.2 . . ?
C9 C13 C14 110.6(10) . . ?
C9 C13 C15 112.2(9) . . ?
C14 C13 C15 109.5(10) . . ?
C9 C13 H13 108.2 . . ?
C14 C13 H13 108.2 . . ?
C15 C13 H13 108.2 . . ?
C6 C5 C4 117.0(10) . . ?
C6 C5 C10 120.6(10) . . ?
C4 C5 C10 122.3(9) . . ?
C20 C19 C18 122.4(10) . . ?
C20 C19 H19 118.8 . . ?
C18 C19 H19 118.8 . . ?
C4 C9 C8 115.8(9) . . ?
C4 C9 C13 123.2(7) . . ?
C8 C9 C13 121.0(8) . . ?
C6 C7 C8 120.9(9) . . ?
C6 C7 H7 119.5 . . ?
C8 C7 H7 119.5 . . ?
C19 C18 C17 120.4(11) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C17 C22 C24 114.7(12) . . ?
C17 C22 C23 112.8(11) . . ?
C24 C22 C23 110.1(13) . . ?
C17 C22 H22 106.2 . . ?
C24 C22 H22 106.2 . . ?
C23 C22 H22 106.2 . . ?
C28 N3 C31 108.0(10) . . ?
C28 N3 C32 129.5(12) . . ?
C31 N3 C32 122.4(12) . . ?
C18 C17 C16 116.6(10) . . ?
C18 C17 C22 121.0(10) . . ?
C16 C17 C22 122.4(8) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C31 C30 C29 108.7(11) . . ?
C31 C30 H30 125.6 . . ?
C29 C30 H30 125.6 . . ?
C21 C25 C27 112.6(10) . . ?
C21 C25 C26 110.9(10) . . ?
C27 C25 C26 109.9(9) . . ?
C21 C25 H25 107.7 . . ?
C27 C25 H25 107.7 . . ?
C26 C25 H25 107.7 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C21 C16 116.4(10) . . ?
C20 C21 C25 122.6(10) . . ?
C16 C21 C25 121.0(8) . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
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 . . ?
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 . . ?
C30 C31 N3 108.9(11) . . ?
C30 C31 H31 125.5 . . ?
N3 C31 H31 125.5 . . ?
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 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C19 C20 C21 120.4(11) . . ?
C19 C20 H20 119.8 . . ?
C21 C20 H20 119.8 . . ?
N3 C32 H32A 109.5 . . ?
N3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
N3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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 . . ?
Cl2 C33 Cl1 107.1(17) . . ?
Cl2 C33 H33A 110.3 . . ?
Cl1 C33 H33A 110.3 . . ?
Cl2 C33 H33B 110.3 . . ?
Cl1 C33 H33B 110.3 . . ?
H33A C33 H33B 108.6 . . ?
Cl2' C33' Cl1' 112.0(19) . . ?
Cl2' C33' H33C 109.2 . . ?
Cl1' C33' H33C 109.2 . . ?
Cl2' C33' H33D 109.2 . . ?
Cl1' C33' H33D 109.2 . . ?
H33C C33' H33D 107.9 . . ?

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
C2 N1 C1 N2 1.2(9) . . . . ?
C4 N1 C1 N2 178.7(7) . . . . ?
C2 N1 C1 Au1 -179.3(6) . . . . ?
C4 N1 C1 Au1 -1.8(12) . . . . ?
C3 N2 C1 N1 -1.1(9) . . . . ?
C16 N2 C1 N1 -179.2(7) . . . . ?
C3 N2 C1 Au1 179.4(5) . . . . ?
C16 N2 C1 Au1 1.3(11) . . . . ?
C1 N1 C2 C3 -0.9(9) . . . . ?
C4 N1 C2 C3 -178.4(8) . . . . ?
C1 N2 C16 C21 -94.1(10) . . . . ?
C3 N2 C16 C21 88.0(10) . . . . ?
C1 N2 C16 C17 84.6(10) . . . . ?
C3 N2 C16 C17 -93.2(10) . . . . ?
N1 C2 C3 N2 0.2(9) . . . . ?
C1 N2 C3 C2 0.5(9) . . . . ?
C16 N2 C3 C2 178.6(8) . . . . ?
C1 N1 C4 C9 88.7(10) . . . . ?
C2 N1 C4 C9 -94.2(10) . . . . ?
C1 N1 C4 C5 -91.8(10) . . . . ?
C2 N1 C4 C5 85.3(10) . . . . ?
N3 C28 C29 C30 0.2(12) . . . . ?
Au1 C28 C29 C30 -98.3(8) . . . . ?
N3 C28 C29 Au1 98.5(8) . . . . ?
C7 C6 C5 C4 0.3(16) . . . . ?
C7 C6 C5 C10 177.3(10) . . . . ?
C9 C4 C5 C6 -0.1(14) . . . . ?
N1 C4 C5 C6 -179.6(8) . . . . ?
C9 C4 C5 C10 -177.0(9) . . . . ?
N1 C4 C5 C10 3.5(13) . . . . ?
C12 C10 C5 C6 -66.9(14) . . . . ?
C11 C10 C5 C6 59.5(14) . . . . ?
C12 C10 C5 C4 109.9(11) . . . . ?
C11 C10 C5 C4 -123.7(12) . . . . ?
C5 C4 C9 C8 1.9(13) . . . . ?
N1 C4 C9 C8 -178.6(8) . . . . ?
C5 C4 C9 C13 -179.7(9) . . . . ?
N1 C4 C9 C13 -0.2(12) . . . . ?
C7 C8 C9 C4 -4.0(14) . . . . ?
C7 C8 C9 C13 177.6(10) . . . . ?
C14 C13 C9 C4 120.4(10) . . . . ?
C15 C13 C9 C4 -117.2(10) . . . . ?
C14 C13 C9 C8 -61.3(12) . . . . ?
C15 C13 C9 C8 61.2(12) . . . . ?
C5 C6 C7 C8 -2.4(17) . . . . ?
C9 C8 C7 C6 4.4(17) . . . . ?
C20 C19 C18 C17 -1.7(19) . . . . ?
C29 C28 N3 C31 -0.7(12) . . . . ?
Au1 C28 N3 C31 63.4(9) . . . . ?
C29 C28 N3 C32 -176.3(11) . . . . ?
Au1 C28 N3 C32 -112.1(12) . . . . ?
C19 C18 C17 C16 -1.8(16) . . . . ?
C19 C18 C17 C22 178.3(11) . . . . ?
C21 C16 C17 C18 4.0(13) . . . . ?
N2 C16 C17 C18 -174.7(9) . . . . ?
C21 C16 C17 C22 -176.1(9) . . . . ?
N2 C16 C17 C22 5.2(13) . . . . ?
C24 C22 C17 C18 -62.1(17) . . . . ?
C23 C22 C17 C18 64.9(15) . . . . ?
C24 C22 C17 C16 118.0(14) . . . . ?
C23 C22 C17 C16 -115.0(12) . . . . ?
C28 C29 C30 C31 0.4(12) . . . . ?
Au1 C29 C30 C31 -87.7(9) . . . . ?
C17 C16 C21 C20 -2.8(13) . . . . ?
N2 C16 C21 C20 175.9(8) . . . . ?
C17 C16 C21 C25 178.9(9) . . . . ?
N2 C16 C21 C25 -2.4(12) . . . . ?
C27 C25 C21 C20 39.0(13) . . . . ?
C26 C25 C21 C20 -84.6(12) . . . . ?
C27 C25 C21 C16 -142.8(9) . . . . ?
C26 C25 C21 C16 93.6(10) . . . . ?
C29 C30 C31 N3 -0.8(13) . . . . ?
C28 N3 C31 C30 0.9(13) . . . . ?
C32 N3 C31 C30 176.9(11) . . . . ?
C18 C19 C20 C21 3.0(18) . . . . ?
C16 C21 C20 C19 -0.8(15) . . . . ?
C25 C21 C20 C19 177.5(10) . . . . ?

