# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# 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_JRV515
_database_code_depnum_ccdc_archive 'CCDC 2069844'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;CNRS
France
;
_audit_update_record             
;
2021-03-11 deposited with the CCDC.	2021-04-22 downloaded from the CCDC.
;


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

_chemical_formula_moiety         'C36 H55 Au Cl N P, F6 Sb, C H2 Cl2'
_chemical_formula_sum            'C37 H57 Au Cl3 F6 N P Sb'
_chemical_formula_weight         1085.89

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

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1636(12)
_cell_length_b                   11.2723(15)
_cell_length_c                   20.036(5)
_cell_angle_alpha                79.592(8)
_cell_angle_beta                 86.479(7)
_cell_angle_gamma                65.966(4)
_cell_volume                     2061.8(6)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9707
_cell_measurement_theta_min      2.63
_cell_measurement_theta_max      32.49

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

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.06
_exptl_crystal_density_diffrn    1.749
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1072

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

_exptl_absorpt_coefficient_mu    4.496
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_correction_T_min  0.6267
_exptl_absorpt_correction_T_max  0.7465

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

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine focus sealed tube'
_diffrn_radiation_monochromator  triumph
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON 3'
_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  0.0509
_diffrn_reflns_av_unetI/netI     0.0398
_diffrn_reflns_number            80664
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.624
_diffrn_reflns_theta_max         33.141
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_reflns_Laue_measured_fraction_full 0.99
_diffrn_reflns_Laue_measured_fraction_max 0.99
_diffrn_reflns_point_group_measured_fraction_full 0.99
_diffrn_reflns_point_group_measured_fraction_max 0.99
_reflns_Friedel_coverage         0
_reflns_number_total             15578
_reflns_number_gt                12915
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       APEX2
_computing_cell_refinement       SAINT
_computing_data_reduction        SAINT
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0302P)²+2.6340P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         15578
_refine_ls_number_parameters     483
_refine_ls_number_restraints     79
_refine_ls_R_factor_all          0.047
_refine_ls_R_factor_gt           0.0329
_refine_ls_wR_factor_ref         0.0758
_refine_ls_wR_factor_gt          0.0704
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0
_refine_diff_density_max         3.646
_refine_diff_density_min         -1.721
_refine_diff_density_rms         0.12

#----------------------------------------------------------------------------#
#                   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 0.0033 0.0016 '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 -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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
C1 C 0.5699(3) 0.8808(3) 0.36539(13) 0.0206(4) Uani 1 1 d . . . . .
C2 C 0.5334(3) 1.0165(3) 0.34542(14) 0.0253(5) Uani 1 1 d . . . . .
H2 H 0.476553 1.062149 0.30556 0.03 Uiso 1 1 calc R U . . .
C3 C 0.5792(3) 1.0848(3) 0.38314(16) 0.0299(6) Uani 1 1 d . . . . .
H3 H 0.556595 1.175975 0.368285 0.036 Uiso 1 1 calc R U . . .
C4 C 0.6581(3) 1.0196(3) 0.44253(16) 0.0329(6) Uani 1 1 d . . . . .
H4 H 0.690097 1.066049 0.468298 0.039 Uiso 1 1 calc R U . . .
C5 C 0.6903(3) 0.8876(3) 0.46427(15) 0.0301(6) Uani 1 1 d . . . . .
H5 H 0.741465 0.844168 0.505859 0.036 Uiso 1 1 calc R U . . .
C6 C 0.6484(3) 0.8172(3) 0.42562(13) 0.0227(5) Uani 1 1 d . . . . .
C7 C 0.8460(3) 0.6065(3) 0.46263(17) 0.0339(6) Uani 1 1 d . . . . .
H7A H 0.897432 0.624136 0.421618 0.051 Uiso 1 1 calc R U . . .
H7B H 0.872623 0.511385 0.475042 0.051 Uiso 1 1 calc R U . . .
H7C H 0.872127 0.638763 0.499872 0.051 Uiso 1 1 calc R U . . .
C8 C 0.6107(4) 0.6568(3) 0.51435(15) 0.0351(7) Uani 1 1 d . . . . .
H8A H 0.638723 0.694216 0.548733 0.053 Uiso 1 1 calc R U . . .
H8B H 0.636971 0.562501 0.530321 0.053 Uiso 1 1 calc R U . . .
H8C H 0.506363 0.701562 0.506372 0.053 Uiso 1 1 calc R U . . .
C9 C 0.3147(3) 0.8483(2) 0.32019(13) 0.0201(4) Uani 1 1 d . . . . .
C10 C 0.2357(3) 0.9854(3) 0.27712(19) 0.0350(7) Uani 1 1 d . . . . .
H10A H 0.258369 0.981312 0.228609 0.042 Uiso 1 1 calc R U . . .
H10B H 0.268358 1.049149 0.290834 0.042 Uiso 1 1 calc R U . . .
C11 C 0.0716(3) 1.0313(3) 0.2872(2) 0.0418(8) Uani 1 1 d . . . . .
H11 H 0.020921 1.120562 0.259349 0.05 Uiso 1 1 calc R U . . .
C12 C 0.2626(3) 0.7499(3) 0.2986(2) 0.0384(8) Uani 1 1 d . . . . .
H12A H 0.311208 0.662016 0.326888 0.046 Uiso 1 1 calc R U . . .
H12B H 0.287617 0.741634 0.250621 0.046 Uiso 1 1 calc R U . . .
C13 C 0.1110(4) 0.9035(4) 0.40398(19) 0.0450(9) Uani 1 1 d . . . . .
H13 H 0.086624 0.908326 0.452814 0.054 Uiso 1 1 calc R U . . .
C14 C 0.0621(4) 0.8056(4) 0.3810(2) 0.0460(9) Uani 1 1 d . . . . .
H14A H 0.111024 0.717343 0.408912 0.055 Uiso 1 1 calc R U . . .
H14B H -0.043136 0.834062 0.387211 0.055 Uiso 1 1 calc R U . . .
C15 C 0.0980(3) 0.7985(3) 0.3070(2) 0.0422(8) Uani 1 1 d . . . . .
H15 H 0.064842 0.735097 0.292135 0.051 Uiso 1 1 calc R U . . .
C16 C 0.2760(3) 0.8562(4) 0.39530(16) 0.0403(8) Uani 1 1 d . . . . .
H16A H 0.308871 0.918447 0.410679 0.048 Uiso 1 1 calc R U . . .
H16B H 0.325428 0.768391 0.42352 0.048 Uiso 1 1 calc R U . . .
C17 C 0.0228(4) 0.9340(4) 0.2641(2) 0.0441(8) Uani 1 1 d . . . . .
H17A H -0.082909 0.963979 0.26875 0.053 Uiso 1 1 calc R U . . .
H17B H 0.046519 0.929291 0.215674 0.053 Uiso 1 1 calc R U . . .
C18 C 0.0356(4) 1.0383(4) 0.3615(2) 0.0498(10) Uani 1 1 d . . . . .
H18A H 0.06686 1.101975 0.376393 0.06 Uiso 1 1 calc R U . . .
H18B H -0.069906 1.069213 0.367488 0.06 Uiso 1 1 calc R U . . .
C19 C 0.5924(3) 0.8078(3) 0.22736(13) 0.0216(5) Uani 1 1 d . . . . .
C20 C 0.5753(4) 0.8802(4) 0.07779(15) 0.0366(7) Uani 1 1 d . . . . .
H20A H 0.469469 0.922951 0.070919 0.044 Uiso 1 1 calc R U . . .
H20B H 0.621059 0.88259 0.032785 0.044 Uiso 1 1 calc R U . . .
C21 C 0.8296(3) 0.7455(4) 0.16698(16) 0.0399(8) Uani 1 1 d . . . . .
H21 H 0.936698 0.701914 0.173191 0.048 Uiso 1 1 calc R U . . .
C22 C 0.7814(4) 0.6718(4) 0.12333(18) 0.0453(9) Uani 1 1 d . . . . .
H22A H 0.829429 0.671725 0.078814 0.054 Uiso 1 1 calc R U . . .
H22B H 0.809436 0.579133 0.145962 0.054 Uiso 1 1 calc R U . . .
C23 C 0.7576(3) 0.7410(4) 0.23682(15) 0.0332(6) Uani 1 1 d . . . . .
H23A H 0.78916 0.787293 0.26577 0.04 Uiso 1 1 calc R U . . .
H23B H 0.78662 0.648321 0.259582 0.04 Uiso 1 1 calc R U . . .
C24 C 0.5423(4) 0.7374(3) 0.18158(15) 0.0308(6) Uani 1 1 d . . . . .
H24A H 0.564824 0.645449 0.203958 0.037 Uiso 1 1 calc R U . . .
H24B H 0.436708 0.783034 0.17416 0.037 Uiso 1 1 calc R U . . .
C25 C 0.6226(4) 0.9539(3) 0.12143(16) 0.0336(6) Uani 1 1 d . . . . .
H25 H 0.593956 1.047406 0.09828 0.04 Uiso 1 1 calc R U . . .
C26 C 0.5521(4) 0.9516(3) 0.19227(15) 0.0313(6) Uani 1 1 d . . . . .
H26A H 0.58603 0.997679 0.220357 0.038 Uiso 1 1 calc R U . . .
H26B H 0.446074 0.998096 0.187241 0.038 Uiso 1 1 calc R U . . .
C27 C 0.6193(4) 0.7382(3) 0.11297(16) 0.0377(7) Uani 1 1 d . . . . .
H27 H 0.588864 0.689832 0.084141 0.045 Uiso 1 1 calc R U . . .
C28 C 0.7864(4) 0.8880(4) 0.13137(17) 0.0401(8) Uani 1 1 d . . . . .
H28A H 0.833984 0.889901 0.086793 0.048 Uiso 1 1 calc R U . . .
H28B H 0.817758 0.936387 0.159091 0.048 Uiso 1 1 calc R U . . .
C29 C 0.5901(3) 0.4801(3) 0.30981(16) 0.0293(6) Uani 1 1 d . . . . .
H29 H 0.492981 0.498301 0.299636 0.035 Uiso 1 1 calc R U . . .
C30 C 0.6944(4) 0.3920(3) 0.28052(18) 0.0375(7) Uani 1 1 d . . . . .
H30 H 0.791028 0.376274 0.29015 0.045 Uiso 1 1 calc R U . . .
C31 C 0.6688(4) 0.3150(4) 0.23268(19) 0.0416(8) Uani 1 1 d . . . . .
H31A H 0.56551 0.33102 0.233228 0.05 Uiso 1 1 calc R U . . .
H31B H 0.724951 0.219739 0.24865 0.05 Uiso 1 1 calc R U . . .
C32 C 0.7113(5) 0.3518(4) 0.1604(2) 0.0493(9) Uani 1 1 d . . . . .
H32A H 0.646801 0.444318 0.14285 0.059 Uiso 1 1 calc R U . . .
H32B H 0.810655 0.346901 0.161021 0.059 Uiso 1 1 calc R U . . .
C33 C 0.7047(6) 0.2658(5) 0.1120(2) 0.0589(11) Uani 1 1 d . . . . .
H33A H 0.775729 0.174628 0.127137 0.071 Uiso 1 1 calc R U . . .
H33B H 0.607829 0.264154 0.114425 0.071 Uiso 1 1 calc R U . . .
C34 C 0.7341(6) 0.3099(6) 0.0392(2) 0.0649(13) Uani 1 1 d . . . . .
H34A H 0.824637 0.32333 0.037722 0.078 Uiso 1 1 calc R U . . .
H34B H 0.655479 0.39626 0.022365 0.078 Uiso 1 1 calc R U . . .
C35 C 0.7470(8) 0.2165(7) -0.0087(3) 0.089(2) Uani 1 1 d . . . . .
H35A H 0.824152 0.129508 0.008402 0.107 Uiso 1 1 calc R U . . .
H35B H 0.655544 0.204812 -0.008414 0.107 Uiso 1 1 calc R U . . .
C36 C 0.7795(9) 0.2612(9) -0.0802(3) 0.108(3) Uani 1 1 d . . . . .
H36A H 0.704647 0.348053 -0.09748 0.162 Uiso 1 1 calc R U . . .
H36B H 0.781875 0.197876 -0.108451 0.162 Uiso 1 1 calc R U . . .
H36C H 0.873309 0.266929 -0.081593 0.162 Uiso 1 1 calc R U . . .
Cl2 Cl 0.1486(12) 0.1555(9) 0.0879(4) 0.122(2) Uani 0.658(6) 1 d D U P A 1
C37 C 0.1325(15) 0.3140(14) 0.0924(7) 0.133(2) Uani 0.658(6) 1 d D U P A 1
H37A H 0.111804 0.330648 0.139603 0.16 Uiso 0.658(6) 1 calc R U P A 1
H37B H 0.051983 0.38013 0.062822 0.16 Uiso 0.658(6) 1 calc R U P A 1
Cl3 Cl 0.2955(5) 0.3277(5) 0.06596(18) 0.1381(15) Uani 0.658(6) 1 d D U P A 1
Cl2' Cl 0.142(2) 0.1428(17) 0.0755(7) 0.100(2) Uani 0.342(6) 1 d D U P A 2
C37' C 0.174(3) 0.2602(19) 0.1108(10) 0.127(3) Uani 0.342(6) 1 d D U P A 2
H37C H 0.272364 0.218452 0.131031 0.152 Uiso 0.342(6) 1 calc R U P A 2
H37D H 0.105239 0.286341 0.148025 0.152 Uiso 0.342(6) 1 calc R U P A 2
Cl3' Cl 0.1587(13) 0.4031(9) 0.0533(4) 0.153(3) Uani 0.342(6) 1 d D U P A 2
Au1 Au 0.63004(2) 0.57857(2) 0.37608(2) 0.02270(3) Uani 1 1 d . . . . .
F1 F 0.0442(3) 0.3485(3) 0.24911(14) 0.0716(8) Uani 1 1 d . . . . .
F2 F 0.1595(3) 0.5235(2) 0.21825(12) 0.0595(7) Uani 1 1 d . . . . .
F3 F 0.3045(4) 0.4309(3) 0.33312(14) 0.0794(10) Uani 1 1 d . . . . .
F4 F 0.1909(3) 0.2581(2) 0.36652(11) 0.0488(5) Uani 1 1 d . . . . .
F5 F 0.3232(3) 0.2700(2) 0.24851(13) 0.0613(7) Uani 1 1 d . . . . .
F6 F 0.0203(4) 0.5106(3) 0.33298(15) 0.0851(10) Uani 1 1 d . . . . .
N1 N 0.6873(2) 0.6755(2) 0.44943(11) 0.0249(4) Uani 1 1 d . . . . .
P1 P 0.51607(7) 0.78815(6) 0.31444(3) 0.01821(11) Uani 1 1 d . . . . .
Sb1 Sb 0.17227(2) 0.39169(2) 0.29157(2) 0.02915(5) Uani 1 1 d . . . . .
Cl1 Cl 0.73667(10) 0.37288(8) 0.44552(4) 0.04058(18) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
C1 C6 1.395(4) . ?
C1 C2 1.404(4) . ?
C1 P1 1.830(3) . ?
C2 C3 1.388(4) . ?
C2 H2 0.95 . ?
C3 C4 1.386(4) . ?
C3 H3 0.95 . ?
C4 C5 1.378(5) . ?
C4 H4 0.95 . ?
C5 C6 1.396(4) . ?
C5 H5 0.95 . ?
C6 N1 1.473(4) . ?
C7 N1 1.494(4) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.501(4) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C10 1.539(4) . ?
C9 C16 1.541(4) . ?
C9 C12 1.541(4) . ?
C9 P1 1.879(3) . ?
C10 C11 1.544(4) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C18 1.518(6) . ?
C11 C17 1.524(5) . ?
C11 H11 1 . ?
C12 C15 1.542(4) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C18 1.512(6) . ?
C13 C14 1.528(6) . ?
C13 C16 1.548(5) . ?
C13 H13 1 . ?
C14 C15 1.513(6) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 C17 1.521(6) . ?
C15 H15 1 . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 C26 1.540(4) . ?
C19 C23 1.543(4) . ?
C19 C24 1.543(4) . ?
C19 P1 1.879(3) . ?
C20 C27 1.518(5) . ?
C20 C25 1.525(5) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 C28 1.527(5) . ?
C21 C22 1.530(6) . ?
C21 C23 1.541(4) . ?
C21 H21 1 . ?
C22 C27 1.517(6) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 C27 1.540(4) . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 C28 1.531(5) . ?
C25 C26 1.551(4) . ?
C25 H25 1 . ?
C26 H26A 0.99 . ?
C26 H26B 0.99 . ?
C27 H27 1 . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 C30 1.316(4) . ?
C29 Au1 2.031(3) . ?
C29 H29 0.95 . ?
C30 C31 1.502(5) . ?
C30 H30 0.95 . ?
C31 C32 1.520(5) . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 C33 1.511(5) . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 C34 1.507(6) . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
C34 C35 1.510(7) . ?
C34 H34A 0.99 . ?
C34 H34B 0.99 . ?
C35 C36 1.494(8) . ?
C35 H35A 0.99 . ?
C35 H35B 0.99 . ?
C36 H36A 0.98 . ?
C36 H36B 0.98 . ?
C36 H36C 0.98 . ?
Cl2 C37 1.746(12) . ?
C37 Cl3 1.767(12) . ?
C37 H37A 0.99 . ?
C37 H37B 0.99 . ?
Cl2' C37' 1.754(14) . ?
C37' Cl3' 1.759(14) . ?
C37' H37C 0.99 . ?
C37' H37D 0.99 . ?
Au1 N1 2.213(2) . ?
Au1 P1 2.3110(7) . ?
Au1 Cl1 2.3364(8) . ?
F1 Sb1 1.859(2) . ?
F2 Sb1 1.861(2) . ?
F3 Sb1 1.857(2) . ?
F4 Sb1 1.882(2) . ?
F5 Sb1 1.879(2) . ?
F6 Sb1 1.852(3) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 118.4(2) . . ?
C6 C1 P1 120.2(2) . . ?
C2 C1 P1 121.4(2) . . ?
C3 C2 C1 120.9(3) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 120.1(3) . . ?
C5 C4 H4 119.9 . . ?
C3 C4 H4 119.9 . . ?
C4 C5 C6 120.5(3) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 120.3(3) . . ?
C1 C6 N1 120.5(2) . . ?
C5 C6 N1 119.2(2) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C16 108.9(3) . . ?
C10 C9 C12 109.3(2) . . ?
C16 C9 C12 107.9(3) . . ?
C10 C9 P1 112.60(18) . . ?
C16 C9 P1 107.08(18) . . ?
C12 C9 P1 110.94(18) . . ?
C9 C10 C11 109.7(2) . . ?
C9 C10 H10A 109.7 . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
C11 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C18 C11 C17 109.8(3) . . ?
C18 C11 C10 110.2(3) . . ?
C17 C11 C10 108.9(3) . . ?
C18 C11 H11 109.3 . . ?
C17 C11 H11 109.3 . . ?
C10 C11 H11 109.3 . . ?
C9 C12 C15 109.8(2) . . ?
C9 C12 H12A 109.7 . . ?
C15 C12 H12A 109.7 . . ?
C9 C12 H12B 109.7 . . ?
C15 C12 H12B 109.7 . . ?
H12A C12 H12B 108.2 . . ?
C18 C13 C14 109.6(3) . . ?
C18 C13 C16 109.7(3) . . ?
C14 C13 C16 109.1(3) . . ?
C18 C13 H13 109.5 . . ?
C14 C13 H13 109.5 . . ?
C16 C13 H13 109.5 . . ?
C15 C14 C13 109.6(3) . . ?
C15 C14 H14A 109.7 . . ?
C13 C14 H14A 109.7 . . ?
C15 C14 H14B 109.7 . . ?
C13 C14 H14B 109.7 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C17 109.8(3) . . ?
C14 C15 C12 109.1(3) . . ?
C17 C15 C12 110.0(3) . . ?
C14 C15 H15 109.3 . . ?
C17 C15 H15 109.3 . . ?
C12 C15 H15 109.3 . . ?
C9 C16 C13 109.9(3) . . ?
C9 C16 H16A 109.7 . . ?
C13 C16 H16A 109.7 . . ?
C9 C16 H16B 109.7 . . ?
C13 C16 H16B 109.7 . . ?
H16A C16 H16B 108.2 . . ?
C15 C17 C11 109.5(3) . . ?
C15 C17 H17A 109.8 . . ?
C11 C17 H17A 109.8 . . ?
C15 C17 H17B 109.8 . . ?
C11 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
C13 C18 C11 109.6(3) . . ?
C13 C18 H18A 109.7 . . ?
C11 C18 H18A 109.7 . . ?
C13 C18 H18B 109.7 . . ?
C11 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C26 C19 C23 108.0(2) . . ?
C26 C19 C24 108.6(2) . . ?
C23 C19 C24 110.2(2) . . ?
C26 C19 P1 114.83(19) . . ?
C23 C19 P1 105.87(18) . . ?
C24 C19 P1 109.28(18) . . ?
C27 C20 C25 109.2(3) . . ?
C27 C20 H20A 109.8 . . ?
C25 C20 H20A 109.8 . . ?
C27 C20 H20B 109.8 . . ?
C25 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
C28 C21 C22 109.2(3) . . ?
C28 C21 C23 110.4(3) . . ?
C22 C21 C23 109.1(3) . . ?
C28 C21 H21 109.4 . . ?
C22 C21 H21 109.4 . . ?
C23 C21 H21 109.4 . . ?
C27 C22 C21 109.7(3) . . ?
C27 C22 H22A 109.7 . . ?
C21 C22 H22A 109.7 . . ?
C27 C22 H22B 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C21 C23 C19 109.5(2) . . ?
C21 C23 H23A 109.8 . . ?
C19 C23 H23A 109.8 . . ?
C21 C23 H23B 109.8 . . ?
C19 C23 H23B 109.8 . . ?
H23A C23 H23B 108.2 . . ?
C27 C24 C19 109.6(2) . . ?
C27 C24 H24A 109.8 . . ?
C19 C24 H24A 109.8 . . ?
C27 C24 H24B 109.8 . . ?
C19 C24 H24B 109.8 . . ?
H24A C24 H24B 108.2 . . ?
C20 C25 C28 109.6(3) . . ?
C20 C25 C26 110.8(3) . . ?
C28 C25 C26 108.3(3) . . ?
C20 C25 H25 109.4 . . ?
C28 C25 H25 109.4 . . ?
C26 C25 H25 109.4 . . ?
C19 C26 C25 109.6(2) . . ?
C19 C26 H26A 109.8 . . ?
C25 C26 H26A 109.8 . . ?
C19 C26 H26B 109.8 . . ?
C25 C26 H26B 109.8 . . ?
H26A C26 H26B 108.2 . . ?
C22 C27 C20 110.1(3) . . ?
C22 C27 C24 110.6(3) . . ?
C20 C27 C24 108.6(3) . . ?
C22 C27 H27 109.1 . . ?
C20 C27 H27 109.1 . . ?
C24 C27 H27 109.1 . . ?
C21 C28 C25 109.2(3) . . ?
C21 C28 H28A 109.8 . . ?
C25 C28 H28A 109.8 . . ?
C21 C28 H28B 109.8 . . ?
C25 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C30 C29 Au1 122.1(3) . . ?
C30 C29 H29 118.9 . . ?
Au1 C29 H29 118.9 . . ?
C29 C30 C31 123.5(3) . . ?
C29 C30 H30 118.2 . . ?
C31 C30 H30 118.2 . . ?
C30 C31 C32 112.5(3) . . ?
C30 C31 H31A 109.1 . . ?
C32 C31 H31A 109.1 . . ?
C30 C31 H31B 109.1 . . ?
C32 C31 H31B 109.1 . . ?
H31A C31 H31B 107.8 . . ?
C33 C32 C31 114.6(3) . . ?
C33 C32 H32A 108.6 . . ?
C31 C32 H32A 108.6 . . ?
C33 C32 H32B 108.6 . . ?
C31 C32 H32B 108.6 . . ?
H32A C32 H32B 107.6 . . ?
C34 C33 C32 114.3(4) . . ?
C34 C33 H33A 108.7 . . ?
C32 C33 H33A 108.7 . . ?
C34 C33 H33B 108.7 . . ?
C32 C33 H33B 108.7 . . ?
H33A C33 H33B 107.6 . . ?
C33 C34 C35 115.4(4) . . ?
C33 C34 H34A 108.4 . . ?
C35 C34 H34A 108.4 . . ?
C33 C34 H34B 108.4 . . ?
C35 C34 H34B 108.4 . . ?
H34A C34 H34B 107.5 . . ?
C36 C35 C34 114.3(6) . . ?
C36 C35 H35A 108.7 . . ?
C34 C35 H35A 108.7 . . ?
C36 C35 H35B 108.7 . . ?
C34 C35 H35B 108.7 . . ?
H35A C35 H35B 107.6 . . ?
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 . . ?
Cl2 C37 Cl3 108.9(8) . . ?
Cl2 C37 H37A 109.9 . . ?
Cl3 C37 H37A 109.9 . . ?
Cl2 C37 H37B 109.9 . . ?
Cl3 C37 H37B 109.9 . . ?
H37A C37 H37B 108.3 . . ?
Cl2' C37' Cl3' 114.8(14) . . ?
Cl2' C37' H37C 108.6 . . ?
Cl3' C37' H37C 108.6 . . ?
Cl2' C37' H37D 108.6 . . ?
Cl3' C37' H37D 108.6 . . ?
H37C C37' H37D 107.5 . . ?
C29 Au1 N1 176.36(10) . . ?
C29 Au1 P1 97.00(9) . . ?
N1 Au1 P1 85.84(6) . . ?
C29 Au1 Cl1 85.98(9) . . ?
N1 Au1 Cl1 91.31(7) . . ?
P1 Au1 Cl1 175.75(3) . . ?
C6 N1 C7 109.7(2) . . ?
C6 N1 C8 109.5(2) . . ?
C7 N1 C8 108.6(2) . . ?
C6 N1 Au1 113.39(16) . . ?
C7 N1 Au1 107.83(18) . . ?
C8 N1 Au1 107.70(19) . . ?
C1 P1 C19 107.68(12) . . ?
C1 P1 C9 106.75(11) . . ?
C19 P1 C9 116.82(12) . . ?
C1 P1 Au1 99.46(9) . . ?
C19 P1 Au1 112.96(9) . . ?
C9 P1 Au1 111.42(8) . . ?
F6 Sb1 F3 91.34(18) . . ?
F6 Sb1 F1 90.27(16) . . ?
F3 Sb1 F1 178.37(16) . . ?
F6 Sb1 F2 90.55(13) . . ?
F3 Sb1 F2 89.53(12) . . ?
F1 Sb1 F2 90.70(13) . . ?
F6 Sb1 F5 178.57(16) . . ?
F3 Sb1 F5 90.09(15) . . ?
F1 Sb1 F5 88.30(14) . . ?
F2 Sb1 F5 89.47(11) . . ?
F6 Sb1 F4 90.15(12) . . ?
F3 Sb1 F4 88.75(11) . . ?
F1 Sb1 F4 91.01(12) . . ?
F2 Sb1 F4 178.16(11) . . ?
F5 Sb1 F4 89.88(11) . . ?


####################################################################### 
# 
# 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_JRV628
_database_code_depnum_ccdc_archive 'CCDC 2069846'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;CNRS
France
;
_audit_update_record             
;
2021-03-11 deposited with the CCDC.	2021-04-22 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         'C30 H43 Au Cl N P, F6 Sb, 0.5 (C H2 Cl2)'
_chemical_formula_sum            'C30.50 H44 Au Cl2 F6 N P Sb'
_chemical_formula_weight         959.25

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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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                   10.3795(8)
_cell_length_b                   11.7433(10)
_cell_length_c                   16.0874(13)
_cell_angle_alpha                80.093(3)
_cell_angle_beta                 77.477(3)
_cell_angle_gamma                65.482(3)
_cell_volume                     1734.2(2)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9976
_cell_measurement_theta_min      2.87
_cell_measurement_theta_max      26.20

_exptl_crystal_description       block
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_F_000             934
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.120
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_exptl_absorpt_coefficient_mu    5.258
_shelx_estimated_absorpt_T_min   0.571
_shelx_estimated_absorpt_T_max   0.678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6528
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'incoatec microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker kappa APEX-II CCD Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            50848
_diffrn_reflns_av_unetI/netI     0.0605
_diffrn_reflns_av_R_equivalents  0.0883
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         2.870
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measured_fraction_theta_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_point_group_measured_fraction_full 0.994
_reflns_number_total             7049
_reflns_number_gt                5705
_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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0543P)²+19.3048P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7049
_refine_ls_number_parameters     543
_refine_ls_number_restraints     569
_refine_ls_R_factor_all          0.0770
_refine_ls_R_factor_gt           0.0582
_refine_ls_wR_factor_ref         0.1531
_refine_ls_wR_factor_gt          0.1438
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_restrained_S_all      1.107
_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
P1 P 0.5551(2) 0.2944(2) 0.28363(14) 0.0283(5) Uani 1 1 d D . . . .
N1 N 0.6942(8) 0.1938(5) 0.4466(5) 0.0360(19) Uani 1 1 d D . . . .
C9 C 0.6028(12) 0.2038(10) 0.5322(6) 0.060(3) Uani 1 1 d D . . . .
H9A H 0.501445 0.243452 0.525415 0.090 Uiso 1 1 calc R U . . .
H9B H 0.623396 0.254961 0.565459 0.090 Uiso 1 1 calc R U . . .
H9C H 0.623121 0.119653 0.562104 0.090 Uiso 1 1 calc R U . . .
C10 C 0.8490(12) 0.1495(10) 0.4551(8) 0.058(3) Uani 1 1 d D . . . .
H10A H 0.908879 0.132326 0.398910 0.087 Uiso 1 1 calc R U . . .
H10B H 0.875807 0.072571 0.494183 0.087 Uiso 1 1 calc R U . . .
H10C H 0.863506 0.214787 0.477933 0.087 Uiso 1 1 calc R U . . .
Au1 Au 0.62316(4) 0.38744(4) 0.37408(2) 0.02611(14) Uani 0.8677(18) 1 d D U P A
1
Cl1 Cl 0.6981(3) 0.4704(3) 0.46802(18) 0.0410(7) Uani 0.8677(18) 1 d D U P A 1
C1 C 0.5692(12) 0.5583(10) 0.3046(7) 0.033(2) Uani 0.8677(18) 1 d D U P A 1
H1 H 0.471033 0.607085 0.300414 0.040 Uiso 0.8677(18) 1 calc R U P A 1
C2 C 0.6629(14) 0.6019(12) 0.2665(9) 0.053(3) Uani 0.8677(18) 1 d D U P A 1
H2A H 0.761479 0.554316 0.269982 0.064 Uiso 0.8677(18) 1 calc R U P A 1
H2B H 0.633962 0.681892 0.234617 0.064 Uiso 0.8677(18) 1 calc R U P A 1
C3 C 0.6078(13) 0.1389(9) 0.3334(7) 0.036(2) Uani 0.8677(18) 1 d D U P A 1
C4 C 0.6767(12) 0.1057(8) 0.4066(6) 0.039(2) Uani 0.8677(18) 1 d D U P A 1
C5 C 0.7224(14) -0.0160(9) 0.4436(7) 0.049(2) Uani 0.8677(18) 1 d D U P A 1
H5 H 0.768478 -0.036385 0.492341 0.059 Uiso 0.8677(18) 1 calc R U P A 1
C6 C 0.7038(15) -0.1101(10) 0.4125(7) 0.052(3) Uani 0.8677(18) 1 d D U P A 1
H6 H 0.733820 -0.193115 0.439989 0.062 Uiso 0.8677(18) 1 calc R U P A 1
C7 C 0.6399(13) -0.0794(9) 0.3400(7) 0.048(2) Uani 0.8677(18) 1 d D U P A 1
H7 H 0.630137 -0.142428 0.314960 0.058 Uiso 0.8677(18) 1 calc R U P A 1
C8 C 0.5905(12) 0.0441(8) 0.3046(6) 0.042(2) Uani 0.8677(18) 1 d D U P A 1
H8 H 0.541346 0.064287 0.257235 0.050 Uiso 0.8677(18) 1 calc R U P A 1
Au1' Au 0.6546(4) 0.0833(4) 0.3548(3) 0.0606(15) Uani 0.1323(18) 1 d D U P A 2
Cl1' Cl 0.7533(10) -0.1091(12) 0.4310(10) 0.076(6) Uani 0.1323(18) 1 d D U P A
2
C1' C 0.612(3) 0.001(2) 0.2699(14) 0.056(4) Uani 0.1323(18) 1 d D U P A 2
H1' H 0.624607 0.030997 0.211240 0.067 Uiso 0.1323(18) 1 calc R U P A 2
C2' C 0.570(9) -0.090(6) 0.290(3) 0.058(6) Uani 0.1323(18) 1 d D U P A 2
H2C H 0.557199 -0.121841 0.348585 0.069 Uiso 0.1323(18) 1 calc R U P A 2
H2D H 0.552114 -0.124876 0.247496 0.069 Uiso 0.1323(18) 1 calc R U P A 2
C3' C 0.614(4) 0.3755(17) 0.3382(16) 0.034(4) Uani 0.1323(18) 1 d DG U P A 2
C4' C 0.663(3) 0.3206(13) 0.4152(12) 0.036(4) Uani 0.1323(18) 1 d DG U P A 2
C5' C 0.689(5) 0.391(2) 0.4659(15) 0.037(4) Uani 0.1323(18) 1 d DG U P A 2
H5' H 0.722572 0.353067 0.518576 0.044 Uiso 0.1323(18) 1 calc R U P A 2
C6' C 0.667(6) 0.515(2) 0.440(2) 0.040(5) Uani 0.1323(18) 1 d DG U P A 2
H6' H 0.685347 0.563320 0.474281 0.047 Uiso 0.1323(18) 1 calc R U P A 2
C7' C 0.619(5) 0.5704(17) 0.363(2) 0.039(4) Uani 0.1323(18) 1 d DG U P A 2
H7' H 0.603513 0.655776 0.344612 0.046 Uiso 0.1323(18) 1 calc R U P A 2
C8' C 0.592(5) 0.5004(19) 0.312(2) 0.036(4) Uani 0.1323(18) 1 d DG U P A 2
H8' H 0.558903 0.537980 0.259235 0.043 Uiso 0.1323(18) 1 calc R U P A 2
C11 C 0.6641(9) 0.2913(8) 0.1743(5) 0.0304(19) Uani 1 1 d . . . . .
C12 C 0.8166(11) 0.2639(12) 0.1878(6) 0.048(3) Uani 1 1 d . . . . .
H12A H 0.854635 0.182601 0.222553 0.057 Uiso 1 1 calc R U . . .
H12B H 0.815053 0.330664 0.218542 0.057 Uiso 1 1 calc R U . . .
C13 C 0.9138(11) 0.2589(12) 0.0992(7) 0.050(3) Uani 1 1 d . . . . .
H13 H 1.013465 0.240292 0.107613 0.060 Uiso 1 1 calc R U . . .
C14 C 0.8557(13) 0.3864(12) 0.0478(7) 0.053(3) Uani 1 1 d . . . . .
H14A H 0.852337 0.453104 0.079390 0.063 Uiso 1 1 calc R U . . .
H14B H 0.919531 0.385980 -0.007814 0.063 Uiso 1 1 calc R U . . .
C15 C 0.7062(12) 0.4124(10) 0.0330(6) 0.043(2) Uani 1 1 d . . . . .
H15 H 0.668716 0.495129 -0.001602 0.051 Uiso 1 1 calc R U . . .
C16 C 0.7083(12) 0.3108(10) -0.0141(6) 0.042(2) Uani 1 1 d . . . . .
H16A H 0.770107 0.307935 -0.070677 0.051 Uiso 1 1 calc R U . . .
H16B H 0.610016 0.329298 -0.023346 0.051 Uiso 1 1 calc R U . . .
C17 C 0.7658(12) 0.1847(10) 0.0384(6) 0.042(2) Uani 1 1 d . . . . .
H17 H 0.769037 0.117119 0.006752 0.050 Uiso 1 1 calc R U . . .
C18 C 0.6673(12) 0.1878(10) 0.1253(6) 0.040(2) Uani 1 1 d . . . . .
H18A H 0.703558 0.105177 0.158925 0.048 Uiso 1 1 calc R U . . .
H18B H 0.569077 0.205409 0.116396 0.048 Uiso 1 1 calc R U . . .
C19 C 0.9163(12) 0.1568(12) 0.0533(7) 0.056(3) Uani 1 1 d . . . . .
H19A H 0.953074 0.075043 0.087793 0.067 Uiso 1 1 calc R U . . .
H19B H 0.981288 0.151192 -0.002251 0.067 Uiso 1 1 calc R U . . .
C20 C 0.6053(10) 0.4185(9) 0.1215(6) 0.034(2) Uani 1 1 d . . . . .
H20A H 0.601622 0.486222 0.152211 0.041 Uiso 1 1 calc R U . . .
H20B H 0.506751 0.436981 0.112751 0.041 Uiso 1 1 calc R U . . .
C21 C 0.3547(10) 0.3602(9) 0.2892(6) 0.032(2) Uani 1 1 d . . . . .
C22 C 0.2919(11) 0.5055(10) 0.2797(8) 0.046(3) Uani 1 1 d . . . . .
H22A H 0.318032 0.536295 0.324523 0.055 Uiso 1 1 calc R U . . .
H22B H 0.332779 0.535965 0.223242 0.055 Uiso 1 1 calc R U . . .
C23 C 0.1272(11) 0.5570(12) 0.2879(8) 0.055(3) Uani 1 1 d . . . . .
H23 H 0.087755 0.650901 0.280596 0.066 Uiso 1 1 calc R U . . .
C24 C 0.0906(14) 0.5094(15) 0.2184(8) 0.071(4) Uani 1 1 d . . . . .
H24A H 0.134034 0.537161 0.161795 0.085 Uiso 1 1 calc R U . . .
H24B H -0.014775 0.545305 0.220811 0.085 Uiso 1 1 calc R U . . .
C25 C 0.1460(13) 0.3671(15) 0.2290(7) 0.060(4) Uani 1 1 d . . . . .
H25 H 0.117607 0.336584 0.184366 0.072 Uiso 1 1 calc R U . . .
C26 C 0.0824(13) 0.3238(12) 0.3205(8) 0.055(3) Uani 1 1 d . . . . .
H26A H -0.023433 0.356216 0.326704 0.066 Uiso 1 1 calc R U . . .
H26B H 0.120298 0.230872 0.328896 0.066 Uiso 1 1 calc R U . . .
C27 C 0.1238(11) 0.3734(11) 0.3861(6) 0.044(3) Uani 1 1 d . . . . .
H27 H 0.082247 0.346379 0.444332 0.053 Uiso 1 1 calc R U . . .
C28 C 0.2889(10) 0.3189(10) 0.3789(6) 0.038(2) Uani 1 1 d . . . . .
H28A H 0.326326 0.226005 0.387741 0.046 Uiso 1 1 calc R U . . .
H28B H 0.315794 0.349602 0.423368 0.046 Uiso 1 1 calc R U . . .
C29 C 0.3109(11) 0.3125(12) 0.2212(7) 0.047(3) Uani 1 1 d . . . . .
H29A H 0.348103 0.219557 0.228679 0.057 Uiso 1 1 calc R U . . .
H29B H 0.353237 0.337932 0.163497 0.057 Uiso 1 1 calc R U . . .
C30 C 0.0667(12) 0.5143(11) 0.3752(8) 0.053(3) Uani 1 1 d . . . . .
H30A H 0.093979 0.545219 0.419462 0.064 Uiso 1 1 calc R U . . .
H30B H -0.039316 0.549242 0.382134 0.064 Uiso 1 1 calc R U . . .
Sb1 Sb 0.2280(6) 0.9074(5) 0.2314(3) 0.0589(10) Uani 0.576(8) 1 d D U P B 1
F1 F 0.209(2) 0.8021(14) 0.3314(9) 0.071(4) Uani 0.576(8) 1 d D U P B 1
F2 F 0.2473(17) 1.0108(16) 0.1336(10) 0.096(4) Uani 0.576(8) 1 d D U P B 1
F3 F 0.3633(17) 0.9396(16) 0.2715(10) 0.078(3) Uani 0.576(8) 1 d D U P B 1
F4 F 0.0894(15) 0.8791(14) 0.1910(9) 0.086(3) Uani 0.576(8) 1 d D U P B 1
F5 F 0.3681(16) 0.7735(14) 0.1772(9) 0.098(4) Uani 0.576(8) 1 d D U P B 1
F6 F 0.0822(16) 1.0394(13) 0.2854(10) 0.090(4) Uani 0.576(8) 1 d D U P B 1
Sb1' Sb 0.2144(8) 0.9310(6) 0.2495(4) 0.0546(12) Uani 0.424(8) 1 d D U P B 2
F1' F 0.233(3) 0.7793(17) 0.3182(14) 0.070(4) Uani 0.424(8) 1 d D U P B 2
F2' F 0.200(2) 1.0792(16) 0.1847(13) 0.081(4) Uani 0.424(8) 1 d D U P B 2
F3' F 0.4110(15) 0.881(2) 0.2431(15) 0.085(4) Uani 0.424(8) 1 d D U P B 2
F4' F 0.0145(16) 0.9803(19) 0.2687(14) 0.094(4) Uani 0.424(8) 1 d D U P B 2
F5' F 0.229(2) 0.8572(19) 0.1568(11) 0.096(4) Uani 0.424(8) 1 d D U P B 2
F6' F 0.190(2) 1.0078(15) 0.3479(10) 0.084(4) Uani 0.424(8) 1 d D U P B 2
C31 C 0.657(4) 0.881(3) 0.049(2) 0.081(5) Uani 0.5 1 d . U P . .
H31A H 0.678097 0.941385 0.002647 0.097 Uiso 0.5 1 calc R U P . .
H31B H 0.557152 0.921834 0.077826 0.097 Uiso 0.5 1 calc R U P . .
Cl2 Cl 0.7762(8) 0.8370(6) 0.1226(4) 0.0626(17) Uani 0.5 1 d . U P . .
Cl3 Cl 0.6786(11) 0.7425(9) 0.0045(5) 0.094(3) Uani 0.5 1 d . U P . .


_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
P1 C3' 1.750(11) . ?
P1 C3 1.770(9) . ?
P1 C11 1.870(9) . ?
P1 C21 1.882(9) . ?
P1 Au1 2.333(2) . ?
P1 Au1' 2.435(4) . ?
N1 C4 1.397(10) . ?
N1 C4' 1.411(11) . ?
N1 C9 1.485(12) . ?
N1 C10 1.499(13) . ?
N1 Au1 2.268(6) . ?
N1 Au1' 2.323(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
Au1 C1 2.039(11) . ?
Au1 Cl1 2.342(3) . ?
C1 C2 1.277(16) . ?
C1 H1 0.9500 . ?
C2 H2A 0.9500 . ?
C2 H2B 0.9500 . ?
C3 C8 1.366(8) . ?
C3 C4 1.424(8) . ?
C4 C5 1.375(8) . ?
C5 C6 1.385(9) . ?
C5 H5 0.9500 . ?
C6 C7 1.386(9) . ?
C6 H6 0.9500 . ?
C7 C8 1.385(8) . ?
C7 H7 0.9500 . ?
C8 H8 0.9500 . ?
Au1' C1' 2.015(14) . ?
Au1' Cl1' 2.308(9) . ?
C1' C2' 1.278(19) . ?
C1' H1' 0.9500 . ?
C2' H2C 0.9500 . ?
C2' H2D 0.9500 . ?
C3' C4' 1.3900 . ?
C3' C8' 1.3900 . ?
C4' C5' 1.3900 . ?
C5' C6' 1.3900 . ?
C5' H5' 0.9500 . ?
C6' C7' 1.3900 . ?
C6' H6' 0.9500 . ?
C7' C8' 1.3900 . ?
C7' H7' 0.9500 . ?
C8' H8' 0.9500 . ?
C11 C20 1.535(12) . ?
C11 C12 1.535(13) . ?
C11 C18 1.545(13) . ?
C12 C13 1.551(14) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C19 1.501(17) . ?
C13 C14 1.527(17) . ?
C13 H13 1.0000 . ?
C14 C15 1.516(15) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.511(15) . ?
C15 C20 1.567(13) . ?
C15 H15 1.0000 . ?
C16 C17 1.522(14) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C19 1.522(16) . ?
C17 C18 1.539(13) . ?
C17 H17 1.0000 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C29 1.536(13) . ?
C21 C22 1.545(14) . ?
C21 C28 1.545(12) . ?
C22 C23 1.542(14) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C30 1.501(17) . ?
C23 C24 1.511(18) . ?
C23 H23 1.0000 . ?
C24 C25 1.52(2) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C29 1.543(15) . ?
C25 C26 1.568(16) . ?
C25 H25 1.0000 . ?
C26 C27 1.502(15) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C30 1.500(16) . ?
C27 C28 1.545(14) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
Sb1 F5 1.835(13) . ?
Sb1 F2 1.843(13) . ?
Sb1 F6 1.843(13) . ?
Sb1 F3 1.858(12) . ?
Sb1 F4 1.865(13) . ?
Sb1 F1 1.881(11) . ?
Sb1' F5' 1.800(15) . ?
Sb1' F2' 1.835(14) . ?
Sb1' F3' 1.858(14) . ?
Sb1' F6' 1.873(15) . ?
Sb1' F4' 1.877(15) . ?
Sb1' F1' 1.888(13) . ?
C31 Cl2 1.76(3) . ?
C31 Cl3 1.80(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?

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
C3' P1 C11 103.4(13) . . ?
C3 P1 C11 108.6(5) . . ?
C3' P1 C21 114.0(13) . . ?
C3 P1 C21 107.5(5) . . ?
C11 P1 C21 116.4(4) . . ?
C3 P1 Au1 100.3(3) . . ?
C11 P1 Au1 110.8(3) . . ?
C21 P1 Au1 112.0(3) . . ?
C3' P1 Au1' 100.6(5) . . ?
C11 P1 Au1' 106.7(3) . . ?
C21 P1 Au1' 114.1(3) . . ?
C4 N1 C9 107.3(7) . . ?
C4' N1 C9 102.8(10) . . ?
C4 N1 C10 109.2(7) . . ?
C4' N1 C10 101.1(10) . . ?
C9 N1 C10 110.6(8) . . ?
C4 N1 Au1 112.6(5) . . ?
C9 N1 Au1 107.9(5) . . ?
C10 N1 Au1 109.3(5) . . ?
C4' N1 Au1' 112.4(7) . . ?
C9 N1 Au1' 115.0(5) . . ?
C10 N1 Au1' 113.5(5) . . ?
N1 C9 H9A 109.5 . . ?
N1 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
N1 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
N1 C10 H10A 109.5 . . ?
N1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
N1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C1 Au1 N1 177.0(4) . . ?
C1 Au1 P1 95.4(3) . . ?
N1 Au1 P1 84.18(16) . . ?
C1 Au1 Cl1 87.4(3) . . ?
N1 Au1 Cl1 92.94(17) . . ?
P1 Au1 Cl1 177.04(10) . . ?
C2 C1 Au1 122.2(9) . . ?
C2 C1 H1 118.9 . . ?
Au1 C1 H1 118.9 . . ?
C1 C2 H2A 120.0 . . ?
C1 C2 H2B 120.0 . . ?
H2A C2 H2B 120.0 . . ?
C8 C3 C4 116.1(7) . . ?
C8 C3 P1 124.0(7) . . ?
C4 C3 P1 119.9(6) . . ?
C5 C4 N1 117.2(8) . . ?
C5 C4 C3 120.0(7) . . ?
N1 C4 C3 122.7(7) . . ?
C4 C5 C6 122.4(8) . . ?
C4 C5 H5 118.8 . . ?
C6 C5 H5 118.8 . . ?
C5 C6 C7 118.0(9) . . ?
C5 C6 H6 121.0 . . ?
C7 C6 H6 121.0 . . ?
C8 C7 C6 119.2(9) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C3 C8 C7 124.2(8) . . ?
C3 C8 H8 117.9 . . ?
C7 C8 H8 117.9 . . ?
C1' Au1' Cl1' 90.3(7) . . ?
C1' Au1' N1 175.4(7) . . ?
Cl1' Au1' N1 94.3(6) . . ?
C1' Au1' P1 94.6(7) . . ?
Cl1' Au1' P1 175.0(6) . . ?
N1 Au1' P1 80.78(19) . . ?
C2' C1' Au1' 124(2) . . ?
C2' C1' H1' 118.1 . . ?
Au1' C1' H1' 118.1 . . ?
C1' C2' H2C 120.0 . . ?
C1' C2' H2D 120.0 . . ?
H2C C2' H2D 120.0 . . ?
C4' C3' C8' 120.0 . . ?
C4' C3' P1 119.1(9) . . ?
C8' C3' P1 120.1(8) . . ?
C5' C4' C3' 120.0 . . ?
C5' C4' N1 115.1(9) . . ?
C3' C4' N1 124.9(9) . . ?
C4' C5' C6' 120.0 . . ?
C4' C5' H5' 120.0 . . ?
C6' C5' H5' 120.0 . . ?
C7' C6' C5' 120.0 . . ?
C7' C6' H6' 120.0 . . ?
C5' C6' H6' 120.0 . . ?
C6' C7' C8' 120.0 . . ?
C6' C7' H7' 120.0 . . ?
C8' C7' H7' 120.0 . . ?
C7' C8' C3' 120.0 . . ?
C7' C8' H8' 120.0 . . ?
C3' C8' H8' 120.0 . . ?
C20 C11 C12 109.5(8) . . ?
C20 C11 C18 108.8(7) . . ?
C12 C11 C18 109.7(8) . . ?
C20 C11 P1 111.2(6) . . ?
C12 C11 P1 106.0(6) . . ?
C18 C11 P1 111.6(6) . . ?
C11 C12 C13 108.9(8) . . ?
C11 C12 H12A 109.9 . . ?
C13 C12 H12A 109.9 . . ?
C11 C12 H12B 109.9 . . ?
C13 C12 H12B 109.9 . . ?
H12A C12 H12B 108.3 . . ?
C19 C13 C14 110.7(9) . . ?
C19 C13 C12 109.5(9) . . ?
C14 C13 C12 109.0(10) . . ?
C19 C13 H13 109.2 . . ?
C14 C13 H13 109.2 . . ?
C12 C13 H13 109.2 . . ?
C15 C14 C13 109.0(9) . . ?
C15 C14 H14A 109.9 . . ?
C13 C14 H14A 109.9 . . ?
C15 C14 H14B 109.9 . . ?
C13 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C16 C15 C14 110.9(10) . . ?
C16 C15 C20 109.5(8) . . ?
C14 C15 C20 109.1(8) . . ?
C16 C15 H15 109.1 . . ?
C14 C15 H15 109.1 . . ?
C20 C15 H15 109.1 . . ?
C15 C16 C17 109.2(8) . . ?
C15 C16 H16A 109.8 . . ?
C17 C16 H16A 109.8 . . ?
C15 C16 H16B 109.8 . . ?
C17 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
C19 C17 C16 109.9(9) . . ?
C19 C17 C18 109.2(8) . . ?
C16 C17 C18 109.9(8) . . ?
C19 C17 H17 109.3 . . ?
C16 C17 H17 109.3 . . ?
C18 C17 H17 109.3 . . ?
C17 C18 C11 109.1(8) . . ?
C17 C18 H18A 109.9 . . ?
C11 C18 H18A 109.9 . . ?
C17 C18 H18B 109.9 . . ?
C11 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
C13 C19 C17 110.0(9) . . ?
C13 C19 H19A 109.7 . . ?
C17 C19 H19A 109.7 . . ?
C13 C19 H19B 109.7 . . ?
C17 C19 H19B 109.7 . . ?
H19A C19 H19B 108.2 . . ?
C11 C20 C15 108.7(8) . . ?
C11 C20 H20A 110.0 . . ?
C15 C20 H20A 110.0 . . ?
C11 C20 H20B 110.0 . . ?
C15 C20 H20B 110.0 . . ?
H20A C20 H20B 108.3 . . ?
C29 C21 C22 109.7(8) . . ?
C29 C21 C28 109.0(8) . . ?
C22 C21 C28 107.1(8) . . ?
C29 C21 P1 112.0(7) . . ?
C22 C21 P1 111.0(6) . . ?
C28 C21 P1 107.9(6) . . ?
C23 C22 C21 109.9(9) . . ?
C23 C22 H22A 109.7 . . ?
C21 C22 H22A 109.7 . . ?
C23 C22 H22B 109.7 . . ?
C21 C22 H22B 109.7 . . ?
H22A C22 H22B 108.2 . . ?
C30 C23 C24 111.5(10) . . ?
C30 C23 C22 108.9(10) . . ?
C24 C23 C22 108.5(10) . . ?
C30 C23 H23 109.3 . . ?
C24 C23 H23 109.3 . . ?
C22 C23 H23 109.3 . . ?
C23 C24 C25 110.6(10) . . ?
C23 C24 H24A 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
C25 C24 H24B 109.5 . . ?
H24A C24 H24B 108.1 . . ?
C24 C25 C29 108.9(10) . . ?
C24 C25 C26 109.2(10) . . ?
C29 C25 C26 108.4(10) . . ?
C24 C25 H25 110.1 . . ?
C29 C25 H25 110.1 . . ?
C26 C25 H25 110.1 . . ?
C27 C26 C25 108.9(8) . . ?
C27 C26 H26A 109.9 . . ?
C25 C26 H26A 109.9 . . ?
C27 C26 H26B 109.9 . . ?
C25 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
C30 C27 C26 111.0(9) . . ?
C30 C27 C28 109.8(9) . . ?
C26 C27 C28 110.0(9) . . ?
C30 C27 H27 108.7 . . ?
C26 C27 H27 108.7 . . ?
C28 C27 H27 108.7 . . ?
C27 C28 C21 109.3(8) . . ?
C27 C28 H28A 109.8 . . ?
C21 C28 H28A 109.8 . . ?
C27 C28 H28B 109.8 . . ?
C21 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C21 C29 C25 110.2(9) . . ?
C21 C29 H29A 109.6 . . ?
C25 C29 H29A 109.6 . . ?
C21 C29 H29B 109.6 . . ?
C25 C29 H29B 109.6 . . ?
H29A C29 H29B 108.1 . . ?
C27 C30 C23 109.5(9) . . ?
C27 C30 H30A 109.8 . . ?
C23 C30 H30A 109.8 . . ?
C27 C30 H30B 109.8 . . ?
C23 C30 H30B 109.8 . . ?
H30A C30 H30B 108.2 . . ?
F5 Sb1 F2 88.9(8) . . ?
F5 Sb1 F6 177.8(8) . . ?
F2 Sb1 F6 91.8(8) . . ?
F5 Sb1 F3 91.6(8) . . ?
F2 Sb1 F3 89.3(7) . . ?
F6 Sb1 F3 90.5(8) . . ?
F5 Sb1 F4 89.5(7) . . ?
F2 Sb1 F4 90.1(7) . . ?
F6 Sb1 F4 88.4(7) . . ?
F3 Sb1 F4 178.6(8) . . ?
F5 Sb1 F1 91.1(8) . . ?
F2 Sb1 F1 179.6(9) . . ?
F6 Sb1 F1 88.2(8) . . ?
F3 Sb1 F1 90.4(7) . . ?
F4 Sb1 F1 90.3(8) . . ?
F5' Sb1' F2' 91.5(10) . . ?
F5' Sb1' F3' 95.1(11) . . ?
F2' Sb1' F3' 91.8(9) . . ?
F5' Sb1' F6' 177.0(11) . . ?
F2' Sb1' F6' 89.5(9) . . ?
F3' Sb1' F6' 87.8(10) . . ?
F5' Sb1' F4' 90.1(10) . . ?
F2' Sb1' F4' 91.4(8) . . ?
F3' Sb1' F4' 173.9(11) . . ?
F6' Sb1' F4' 87.0(9) . . ?
F5' Sb1' F1' 89.8(10) . . ?
F2' Sb1' F1' 178.3(11) . . ?
F3' Sb1' F1' 87.1(9) . . ?
F6' Sb1' F1' 89.3(10) . . ?
F4' Sb1' F1' 89.6(9) . . ?
Cl2 C31 Cl3 108.8(18) . . ?
Cl2 C31 H31A 109.9 . . ?
Cl3 C31 H31A 109.9 . . ?
Cl2 C31 H31B 109.9 . . ?
Cl3 C31 H31B 109.9 . . ?
H31A C31 H31B 108.3 . . ?

_refine_diff_density_max         1.935
_refine_diff_density_min         -1.767
_refine_diff_density_rms         0.193


####################################################################### 
# 
# 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_JRV619
_database_code_depnum_ccdc_archive 'CCDC 2069847'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;CNRS
France
;
_audit_update_record             
;
2021-03-11 deposited with the CCDC.	2021-04-22 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         'C36 H45 Au Cl N P, F6 Sb'
_chemical_formula_sum            'C36 H45 Au Cl F6 N P Sb'
_chemical_formula_weight         990.86

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

_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+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'

_cell_length_a                   29.910(4)
_cell_length_b                   9.8604(14)
_cell_length_c                   28.710(4)
_cell_angle_alpha                90
_cell_angle_beta                 119.225(4)
_cell_angle_gamma                90
_cell_volume                     7389.5(17)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9837
_cell_measurement_theta_min      2.51
_cell_measurement_theta_max      27.26

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_F_000             3872
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.060
_exptl_absorpt_coefficient_mu    4.869
_shelx_estimated_absorpt_T_min   0.510
_shelx_estimated_absorpt_T_max   0.759
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6032
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'fine-focus sealed tube'
_diffrn_measurement_device_type  'Bruker D8-Venture Photon III detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            80974
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_theta_min         2.924
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             7548
_reflns_number_gt                6647
_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       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0087P)²+286.7380P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         7548
_refine_ls_number_parameters     523
_refine_ls_number_restraints     255
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0573
_refine_ls_wR_factor_ref         0.1384
_refine_ls_wR_factor_gt          0.1355
_refine_ls_goodness_of_fit_ref   1.257
_refine_ls_restrained_S_all      1.248
_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 0.36049(2) 0.27082(4) 0.56374(2) 0.02803(11) Uani 1 1 d . . . . .
Sb1 Sb 0.500000 0.98825(11) 0.750000 0.0377(2) Uani 1 2 d S T P . .
Cl1 Cl 0.32751(12) 0.0520(3) 0.55565(13) 0.0512(7) Uani 1 1 d . . . . .
P1 P 0.39352(8) 0.4850(3) 0.57406(9) 0.0226(5) Uani 1 1 d . . . . .
F1 F 0.500000 0.8022(12) 0.750000 0.080(4) Uani 1 2 d S T P . .
F2 F 0.4628(3) 0.9874(11) 0.6759(3) 0.080(3) Uani 1 1 d . . . . .
F3 F 0.5612(3) 0.9905(9) 0.7477(3) 0.068(2) Uani 1 1 d . . . . .
F4 F 0.500000 1.1770(11) 0.750000 0.066(3) Uani 1 2 d S T P . .
Sb2 Sb 0.2443(4) 0.3569(11) 0.2649(4) 0.0471(16) Uani 0.293(12) 1 d D U P A 1
F5 F 0.2858(9) 0.236(3) 0.2583(11) 0.064(5) Uani 0.293(12) 1 d D U P A 1
F6 F 0.2077(9) 0.472(3) 0.2769(10) 0.072(5) Uani 0.293(12) 1 d D U P A 1
F7 F 0.2180(10) 0.411(3) 0.1983(8) 0.063(5) Uani 0.293(12) 1 d D U P A 1
F8 F 0.2643(10) 0.295(3) 0.3263(8) 0.062(5) Uani 0.293(12) 1 d D U P A 1
F9 F 0.2948(8) 0.469(3) 0.2831(9) 0.057(5) Uani 0.293(12) 1 d D U P A 1
F10 F 0.1937(9) 0.256(3) 0.2484(11) 0.070(4) Uani 0.293(12) 1 d D U P A 1
Sb2' Sb 0.2402(6) 0.3252(19) 0.2581(6) 0.059(3) Uani 0.207(12) 1 d D U P A 2
F5' F 0.2779(13) 0.191(4) 0.2538(16) 0.071(6) Uani 0.207(12) 1 d D U P A 2
F6' F 0.1982(12) 0.444(4) 0.2590(15) 0.070(5) Uani 0.207(12) 1 d D U P A 2
F7' F 0.2296(14) 0.394(4) 0.1963(10) 0.060(5) Uani 0.207(12) 1 d D U P A 2
F8' F 0.2359(12) 0.254(4) 0.3076(11) 0.059(5) Uani 0.207(12) 1 d D U P A 2
F9' F 0.2947(10) 0.413(4) 0.2917(12) 0.059(5) Uani 0.207(12) 1 d D U P A 2
F10' F 0.1831(11) 0.239(4) 0.2252(14) 0.068(6) Uani 0.207(12) 1 d D U P A 2
N1 N 0.3324(3) 0.3298(9) 0.6157(3) 0.0288(18) Uani 1 1 d . . . . .
C1 C 0.3732(3) 0.5531(10) 0.6196(3) 0.027(2) Uani 1 1 d . . . . .
C2 C 0.3435(3) 0.4726(11) 0.6339(4) 0.029(2) Uani 1 1 d . . . . .
C3 C 0.3256(4) 0.5248(13) 0.6667(4) 0.037(3) Uani 1 1 d . . . . .
H3 H 0.306274 0.468795 0.677218 0.044 Uiso 1 1 calc R U . . .
C4 C 0.3357(4) 0.6557(13) 0.6839(4) 0.040(3) Uani 1 1 d . . . . .
H4 H 0.322169 0.691175 0.705176 0.048 Uiso 1 1 calc R U . . .
C5 C 0.3654(4) 0.7376(13) 0.6707(4) 0.040(3) Uani 1 1 d . . . . .
H5 H 0.372964 0.828235 0.683514 0.048 Uiso 1 1 calc R U . . .
C6 C 0.3839(4) 0.6862(11) 0.6390(4) 0.034(2) Uani 1 1 d . . . . .
H6 H 0.404396 0.742219 0.630001 0.040 Uiso 1 1 calc R U . . .
C7 C 0.2752(4) 0.3083(13) 0.5866(4) 0.042(3) Uani 1 1 d . . . . .
H7A H 0.261516 0.326430 0.610812 0.063 Uiso 1 1 calc R U . . .
H7B H 0.267578 0.214352 0.573957 0.063 Uiso 1 1 calc R U . . .
H7C H 0.259223 0.370106 0.556001 0.063 Uiso 1 1 calc R U . . .
C8 C 0.3573(4) 0.2383(13) 0.6637(4) 0.044(3) Uani 1 1 d . . . . .
H8A H 0.394645 0.246649 0.680302 0.065 Uiso 1 1 calc R U . . .
H8B H 0.347296 0.144113 0.652512 0.065 Uiso 1 1 calc R U . . .
H8C H 0.346287 0.264357 0.689425 0.065 Uiso 1 1 calc R U . . .
C9 C 0.4651(3) 0.4777(10) 0.6089(3) 0.0246(19) Uani 1 1 d . . . . .
C10 C 0.4899(4) 0.6033(11) 0.6435(4) 0.034(2) Uani 1 1 d . . . . .
H10A H 0.477593 0.614135 0.669659 0.041 Uiso 1 1 calc R U . . .
H10B H 0.480128 0.685354 0.620754 0.041 Uiso 1 1 calc R U . . .
C11 C 0.5492(4) 0.5865(13) 0.6733(4) 0.041(3) Uani 1 1 d . . . . .
H11 H 0.565438 0.668275 0.695969 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5641(4) 0.4608(14) 0.7085(4) 0.048(3) Uani 1 1 d . . . . .
H12A H 0.601845 0.450430 0.727460 0.058 Uiso 1 1 calc R U . . .
H12B H 0.552845 0.470839 0.735481 0.058 Uiso 1 1 calc R U . . .
C13 C 0.5395(4) 0.3365(12) 0.6748(4) 0.039(3) Uani 1 1 d . . . . .
H13 H 0.549446 0.254262 0.698136 0.047 Uiso 1 1 calc R U . . .
C14 C 0.5578(4) 0.3216(12) 0.6341(5) 0.043(3) Uani 1 1 d . . . . .
H14A H 0.595475 0.309840 0.652768 0.051 Uiso 1 1 calc R U . . .
H14B H 0.542067 0.240109 0.611901 0.051 Uiso 1 1 calc R U . . .
C15 C 0.5432(4) 0.4465(12) 0.5987(4) 0.038(3) Uani 1 1 d . . . . .
H15 H 0.555972 0.435848 0.572476 0.045 Uiso 1 1 calc R U . . .
C16 C 0.4846(3) 0.4638(11) 0.5680(4) 0.030(2) Uani 1 1 d . . . . .
H16A H 0.468450 0.384196 0.544799 0.036 Uiso 1 1 calc R U . . .
H16B H 0.475315 0.545722 0.545245 0.036 Uiso 1 1 calc R U . . .
C17 C 0.5675(4) 0.5717(12) 0.6326(5) 0.040(3) Uani 1 1 d . . . . .
H17A H 0.557874 0.653166 0.609514 0.048 Uiso 1 1 calc R U . . .
H17B H 0.605315 0.563132 0.651146 0.048 Uiso 1 1 calc R U . . .
C18 C 0.4807(4) 0.3521(11) 0.6452(4) 0.035(2) Uani 1 1 d . . . . .
H18A H 0.464698 0.270202 0.623425 0.043 Uiso 1 1 calc R U . . .
H18B H 0.468442 0.361688 0.671382 0.043 Uiso 1 1 calc R U . . .
C19 C 0.3595(3) 0.5845(10) 0.5111(4) 0.027(2) Uani 1 1 d . . . . .
C20 C 0.3634(4) 0.5179(11) 0.4645(4) 0.031(2) Uani 1 1 d . . . . .
H20A H 0.399835 0.512096 0.473512 0.037 Uiso 1 1 calc R U . . .
H20B H 0.349393 0.424744 0.458636 0.037 Uiso 1 1 calc R U . . .
C21 C 0.3337(4) 0.6012(12) 0.4138(4) 0.037(2) Uani 1 1 d . . . . .
H21 H 0.337385 0.557919 0.384387 0.044 Uiso 1 1 calc R U . . .
C22 C 0.2771(4) 0.6030(12) 0.3983(4) 0.038(2) Uani 1 1 d . . . . .
H22A H 0.257320 0.655549 0.365017 0.046 Uiso 1 1 calc R U . . .
H22B H 0.263438 0.509326 0.392069 0.046 Uiso 1 1 calc R U . . .
C23 C 0.2717(4) 0.6672(12) 0.4430(4) 0.036(2) Uani 1 1 d . . . . .
H23 H 0.234618 0.668451 0.432963 0.043 Uiso 1 1 calc R U . . .
C24 C 0.2916(4) 0.8124(12) 0.4518(4) 0.040(3) Uani 1 1 d . . . . .
H24A H 0.287760 0.854672 0.480919 0.048 Uiso 1 1 calc R U . . .
H24B H 0.271540 0.866220 0.418919 0.048 Uiso 1 1 calc R U . . .
C25 C 0.3484(4) 0.8119(11) 0.4665(4) 0.036(2) Uani 1 1 d . . . . .
H25 H 0.361634 0.907082 0.472032 0.043 Uiso 1 1 calc R U . . .
C26 C 0.3793(4) 0.7294(10) 0.5182(4) 0.030(2) Uani 1 1 d . . . . .
H26A H 0.415920 0.728499 0.527722 0.036 Uiso 1 1 calc R U . . .
H26B H 0.376573 0.773083 0.547723 0.036 Uiso 1 1 calc R U . . .
C27 C 0.3546(4) 0.7452(11) 0.4222(4) 0.037(2) Uani 1 1 d . . . . .
H27A H 0.391269 0.743306 0.431954 0.044 Uiso 1 1 calc R U . . .
H27B H 0.335731 0.797801 0.388715 0.044 Uiso 1 1 calc R U . . .
C28 C 0.3013(3) 0.5876(12) 0.4943(4) 0.033(2) Uani 1 1 d . . . . .
H28A H 0.287909 0.493798 0.489167 0.039 Uiso 1 1 calc R U . . .
H28B H 0.296779 0.630245 0.522972 0.039 Uiso 1 1 calc R U . . .
C29 C 0.3877(4) 0.2159(11) 0.5164(4) 0.037(2) Uani 1 1 d . . . . .
C30 C 0.4026(4) 0.1780(11) 0.4869(4) 0.036(2) Uani 1 1 d . . . . .
C31 C 0.4204(5) 0.1368(11) 0.4506(5) 0.040(3) Uani 1 1 d . . . . .
C32 C 0.4724(5) 0.1341(12) 0.4672(5) 0.047(3) Uani 1 1 d . . . . .
H32 H 0.496662 0.161226 0.502367 0.057 Uiso 1 1 calc R U . . .
C33 C 0.4885(6) 0.0911(13) 0.4316(6) 0.058(4) Uani 1 1 d . . . . .
H33 H 0.524221 0.085910 0.443696 0.070 Uiso 1 1 calc R U . . .
C34 C 0.4551(6) 0.0558(14) 0.3798(6) 0.061(4) Uani 1 1 d . . . . .
H34 H 0.466786 0.029957 0.355655 0.073 Uiso 1 1 calc R U . . .
C35 C 0.4040(7) 0.0598(17) 0.3647(6) 0.078(5) Uani 1 1 d . . . . .
H35 H 0.379561 0.036872 0.329032 0.094 Uiso 1 1 calc R U . . .
C36 C 0.3871(5) 0.0968(16) 0.4003(5) 0.061(4) Uani 1 1 d . . . . .
H36 H 0.351505 0.093831 0.389043 0.074 Uiso 1 1 calc R U . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C29 1.971(11) . ?
Au1 N1 2.121(8) . ?
Au1 P1 2.289(2) . ?
Au1 Cl1 2.337(3) . ?
Sb1 F1 1.835(12) . ?
Sb1 F2 1.858(7) 2_656 ?
Sb1 F2 1.858(7) . ?
Sb1 F4 1.861(11) . ?
Sb1 F3 1.864(7) . ?
Sb1 F3 1.864(7) 2_656 ?
P1 C1 1.817(9) . ?
P1 C19 1.863(10) . ?
P1 C9 1.871(9) . ?
Sb2 F10 1.68(2) . ?
Sb2 F8 1.675(19) . ?
Sb2 F6 1.72(2) . ?
Sb2 F9 1.73(2) . ?
Sb2 F7 1.757(18) . ?
Sb2 F5 1.80(2) . ?
Sb2' F8' 1.65(2) . ?
Sb2' F9' 1.68(2) . ?
Sb2' F10' 1.72(2) . ?
Sb2' F6' 1.73(2) . ?
Sb2' F7' 1.78(2) . ?
Sb2' F5' 1.78(2) . ?
N1 C2 1.482(14) . ?
N1 C8 1.505(13) . ?
N1 C7 1.508(12) . ?
C1 C2 1.393(13) . ?
C1 C6 1.401(15) . ?
C2 C3 1.390(13) . ?
C3 C4 1.362(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.372(14) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.533(14) . ?
C9 C18 1.537(13) . ?
C9 C16 1.548(12) . ?
C10 C11 1.557(14) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.521(17) . ?
C11 C17 1.523(15) . ?
C11 H11 1.0000 . ?
C12 C13 1.512(17) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.520(15) . ?
C13 C18 1.542(14) . ?
C13 H13 1.0000 . ?
C14 C15 1.519(15) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C17 1.520(16) . ?
C15 C16 1.541(13) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C26 1.522(14) . ?
C19 C20 1.544(12) . ?
C19 C28 1.565(12) . ?
C20 C21 1.522(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C27 1.523(16) . ?
C21 C22 1.527(14) . ?
C21 H21 1.0000 . ?
C22 C23 1.506(15) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C28 1.517(14) . ?
C23 C24 1.524(16) . ?
C23 H23 1.0000 . ?
C24 C25 1.538(14) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C27 1.523(14) . ?
C25 C26 1.542(14) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.191(15) . ?
C30 C31 1.441(15) . ?
C31 C36 1.352(17) . ?
C31 C32 1.387(17) . ?
C32 C33 1.393(17) . ?
C32 H32 0.9500 . ?
C33 C34 1.37(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.37(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(18) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?

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
C29 Au1 N1 179.1(4) . . ?
C29 Au1 P1 92.6(3) . . ?
N1 Au1 P1 87.1(2) . . ?
C29 Au1 Cl1 88.5(3) . . ?
N1 Au1 Cl1 91.7(2) . . ?
P1 Au1 Cl1 178.47(10) . . ?
F1 Sb1 F2 89.7(3) . 2_656 ?
F1 Sb1 F2 89.7(3) . . ?
F2 Sb1 F2 179.5(7) 2_656 . ?
F1 Sb1 F4 180.000(10) . . ?
F2 Sb1 F4 90.3(3) 2_656 . ?
F2 Sb1 F4 90.3(3) . . ?
F1 Sb1 F3 90.7(3) . . ?
F2 Sb1 F3 89.5(4) 2_656 . ?
F2 Sb1 F3 90.5(4) . . ?
F4 Sb1 F3 89.3(3) . . ?
F1 Sb1 F3 90.7(3) . 2_656 ?
F2 Sb1 F3 90.5(4) 2_656 2_656 ?
F2 Sb1 F3 89.5(4) . 2_656 ?
F4 Sb1 F3 89.3(3) . 2_656 ?
F3 Sb1 F3 178.6(6) . 2_656 ?
C1 P1 C19 106.7(4) . . ?
C1 P1 C9 109.2(4) . . ?
C19 P1 C9 118.6(4) . . ?
C1 P1 Au1 99.1(3) . . ?
C19 P1 Au1 111.3(3) . . ?
C9 P1 Au1 110.0(3) . . ?
F10 Sb2 F8 83.6(13) . . ?
F10 Sb2 F6 82.7(13) . . ?
F8 Sb2 F6 88.0(12) . . ?
F10 Sb2 F9 176.5(13) . . ?
F8 Sb2 F9 96.0(12) . . ?
F6 Sb2 F9 93.9(12) . . ?
F10 Sb2 F7 90.5(12) . . ?
F8 Sb2 F7 174.2(13) . . ?
F6 Sb2 F7 91.6(11) . . ?
F9 Sb2 F7 89.9(11) . . ?
F10 Sb2 F5 98.7(13) . . ?
F8 Sb2 F5 87.6(12) . . ?
F6 Sb2 F5 175.3(11) . . ?
F9 Sb2 F5 84.8(11) . . ?
F7 Sb2 F5 92.9(11) . . ?
F8' Sb2' F9' 101.0(15) . . ?
F8' Sb2' F10' 77.7(14) . . ?
F9' Sb2' F10' 177.3(16) . . ?
F8' Sb2' F6' 85.1(14) . . ?
F9' Sb2' F6' 98.6(15) . . ?
F10' Sb2' F6' 79.0(14) . . ?
F8' Sb2' F7' 166.8(15) . . ?
F9' Sb2' F7' 91.5(14) . . ?
F10' Sb2' F7' 89.7(14) . . ?
F6' Sb2' F7' 88.8(14) . . ?
F8' Sb2' F5' 93.5(15) . . ?
F9' Sb2' F5' 87.3(14) . . ?
F10' Sb2' F5' 95.0(15) . . ?
F6' Sb2' F5' 174.0(16) . . ?
F7' Sb2' F5' 91.4(14) . . ?
C2 N1 C8 108.8(8) . . ?
C2 N1 C7 109.2(8) . . ?
C8 N1 C7 110.2(8) . . ?
C2 N1 Au1 114.2(6) . . ?
C8 N1 Au1 106.8(6) . . ?
C7 N1 Au1 107.7(6) . . ?
C2 C1 C6 118.1(9) . . ?
C2 C1 P1 119.1(8) . . ?
C6 C1 P1 122.7(8) . . ?
C3 C2 C1 120.0(10) . . ?
C3 C2 N1 119.7(9) . . ?
C1 C2 N1 120.3(8) . . ?
C4 C3 C2 120.4(10) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.9(10) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 119.1(11) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
C5 C6 C1 121.5(10) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C18 108.7(8) . . ?
C10 C9 C16 108.8(8) . . ?
C18 C9 C16 109.9(8) . . ?
C10 C9 P1 112.3(7) . . ?
C18 C9 P1 106.4(6) . . ?
C16 C9 P1 110.8(6) . . ?
C9 C10 C11 109.3(9) . . ?
C9 C10 H10A 109.8 . . ?
C11 C10 H10A 109.8 . . ?
C9 C10 H10B 109.8 . . ?
C11 C10 H10B 109.8 . . ?
H10A C10 H10B 108.3 . . ?
C12 C11 C17 109.4(10) . . ?
C12 C11 C10 109.8(9) . . ?
C17 C11 C10 109.2(9) . . ?
C12 C11 H11 109.5 . . ?
C17 C11 H11 109.5 . . ?
C10 C11 H11 109.5 . . ?
C13 C12 C11 110.1(9) . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 C14 108.9(10) . . ?
C12 C13 C18 109.8(10) . . ?
C14 C13 C18 109.1(9) . . ?
C12 C13 H13 109.7 . . ?
C14 C13 H13 109.7 . . ?
C18 C13 H13 109.7 . . ?
C15 C14 C13 110.1(9) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C17 109.8(9) . . ?
C14 C15 C16 110.3(8) . . ?
C17 C15 C16 109.3(9) . . ?
C14 C15 H15 109.2 . . ?
C17 C15 H15 109.2 . . ?
C16 C15 H15 109.2 . . ?
C15 C16 C9 108.8(8) . . ?
C15 C16 H16A 109.9 . . ?
C9 C16 H16A 109.9 . . ?
C15 C16 H16B 109.9 . . ?
C9 C16 H16B 109.9 . . ?
H16A C16 H16B 108.3 . . ?
C15 C17 C11 109.4(9) . . ?
C15 C17 H17A 109.8 . . ?
C11 C17 H17A 109.8 . . ?
C15 C17 H17B 109.8 . . ?
C11 C17 H17B 109.8 . . ?
H17A C17 H17B 108.3 . . ?
C9 C18 C13 110.0(8) . . ?
C9 C18 H18A 109.7 . . ?
C13 C18 H18A 109.7 . . ?
C9 C18 H18B 109.7 . . ?
C13 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C26 C19 C20 109.1(8) . . ?
C26 C19 C28 109.0(8) . . ?
C20 C19 C28 106.6(8) . . ?
C26 C19 P1 111.8(6) . . ?
C20 C19 P1 112.4(7) . . ?
C28 C19 P1 107.8(6) . . ?
C21 C20 C19 110.0(8) . . ?
C21 C20 H20A 109.7 . . ?
C19 C20 H20A 109.7 . . ?
C21 C20 H20B 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C20 C21 C27 110.4(9) . . ?
C20 C21 C22 109.4(8) . . ?
C27 C21 C22 110.3(9) . . ?
C20 C21 H21 108.9 . . ?
C27 C21 H21 108.9 . . ?
C22 C21 H21 108.9 . . ?
C23 C22 C21 108.7(8) . . ?
C23 C22 H22A 109.9 . . ?
C21 C22 H22A 109.9 . . ?
C23 C22 H22B 109.9 . . ?
C21 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C22 C23 C28 110.8(9) . . ?
C22 C23 C24 109.9(9) . . ?
C28 C23 C24 109.2(9) . . ?
C22 C23 H23 109.0 . . ?
C28 C23 H23 109.0 . . ?
C24 C23 H23 109.0 . . ?
C23 C24 C25 109.5(9) . . ?
C23 C24 H24A 109.8 . . ?
C25 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
C25 C24 H24B 109.8 . . ?
H24A C24 H24B 108.2 . . ?
C27 C25 C24 109.9(9) . . ?
C27 C25 C26 108.4(8) . . ?
C24 C25 C26 109.2(8) . . ?
C27 C25 H25 109.8 . . ?
C24 C25 H25 109.8 . . ?
C26 C25 H25 109.8 . . ?
C19 C26 C25 110.8(8) . . ?
C19 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C19 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C25 C27 C21 109.0(8) . . ?
C25 C27 H27A 109.9 . . ?
C21 C27 H27A 109.9 . . ?
C25 C27 H27B 109.9 . . ?
C21 C27 H27B 109.9 . . ?
H27A C27 H27B 108.3 . . ?
C23 C28 C19 110.1(8) . . ?
C23 C28 H28A 109.6 . . ?
C19 C28 H28A 109.6 . . ?
C23 C28 H28B 109.6 . . ?
C19 C28 H28B 109.6 . . ?
H28A C28 H28B 108.2 . . ?
C30 C29 Au1 177.0(10) . . ?
C29 C30 C31 178.1(12) . . ?
C36 C31 C32 118.5(11) . . ?
C36 C31 C30 121.1(11) . . ?
C32 C31 C30 120.4(11) . . ?
C31 C32 C33 119.1(12) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
C34 C33 C32 123.0(14) . . ?
C34 C33 H33 118.5 . . ?
C32 C33 H33 118.5 . . ?
C35 C34 C33 116.4(12) . . ?
C35 C34 H34 121.8 . . ?
C33 C34 H34 121.8 . . ?
C34 C35 C36 121.6(14) . . ?
C34 C35 H35 119.2 . . ?
C36 C35 H35 119.2 . . ?
C31 C36 C35 121.3(13) . . ?
C31 C36 H36 119.4 . . ?
C35 C36 H36 119.4 . . ?

_refine_diff_density_max         1.894
_refine_diff_density_min         -2.695
_refine_diff_density_rms         0.191


####################################################################### 
# 
# 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_AT216
_database_code_depnum_ccdc_archive 'CCDC 2069848'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;CNRS
France
;
_audit_update_record             
;
2021-03-11 deposited with the CCDC.	2021-04-22 downloaded from the CCDC.
;


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

_chemical_formula_moiety         'C33 H47 Au Cl N O2 P, F6 Sb'
_chemical_formula_sum            'C33 H47 Au Cl F6 N O2 P Sb'
_chemical_formula_weight         988.87

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

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_Int_Tables_number      2
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.1052(9)
_cell_length_b                   14.6709(12)
_cell_length_c                   14.9416(12)
_cell_angle_alpha                109.750(3)
_cell_angle_beta                 101.005(3)
_cell_angle_gamma                104.616(3)
_cell_volume                     1922.4(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    6876
_cell_measurement_theta_min      2.67
_cell_measurement_theta_max      23.63

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

_exptl_crystal_description       needle
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             968

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

_exptl_absorpt_coefficient_mu    4.683
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.6360
_exptl_absorpt_correction_T_max  0.7455


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

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_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  0.1011
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_number            50261
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.592
_diffrn_reflns_theta_max         27.279
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_reflns_Friedel_coverage         0
_reflns_number_total             8537
_reflns_number_gt                6179
_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-2018/3 (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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0671P)²+2.3720P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         8537
_refine_ls_number_parameters     483
_refine_ls_number_restraints     231
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0525
_refine_ls_wR_factor_ref         0.1385
_refine_ls_wR_factor_gt          0.1244
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_restrained_S_all      1.051
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_diff_density_max         3.48
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.185

#----------------------------------------------------------------------------#
#                   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 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
C1 C 0.4706(8) 0.2302(6) 0.6133(5) 0.0334(17) Uani 1 1 d . . . . .
C2 C 0.5209(10) 0.1626(6) 0.5445(6) 0.043(2) Uani 1 1 d . . . . .
H2 H 0.620581 0.173124 0.558153 0.051 Uiso 1 1 calc R U . . .
C3 C 0.4246(12) 0.0823(8) 0.4585(7) 0.060(3) Uani 1 1 d . . . . .
H3 H 0.458608 0.037622 0.41359 0.072 Uiso 1 1 calc R U . . .
C4 C 0.2799(11) 0.0662(8) 0.4372(8) 0.067(3) Uani 1 1 d . . . . .
H4 H 0.215502 0.012306 0.376379 0.08 Uiso 1 1 calc R U . . .
C5 C 0.2283(11) 0.1262(7) 0.5018(7) 0.058(3) Uani 1 1 d . . . . .
H5 H 0.127768 0.112227 0.48765 0.07 Uiso 1 1 calc R U . . .
C6 C 0.3242(9) 0.2105(7) 0.5911(6) 0.0392(19) Uani 1 1 d . . . . .
C7 C 0.1607(9) 0.2099(7) 0.6898(7) 0.049(2) Uani 1 1 d . . . . .
H7A H 0.085847 0.153785 0.631345 0.074 Uiso 1 1 calc R U . . .
H7B H 0.116475 0.252657 0.731224 0.074 Uiso 1 1 calc R U . . .
H7C H 0.212848 0.18095 0.728759 0.074 Uiso 1 1 calc R U . . .
C8 C 0.1832(9) 0.3239(7) 0.6037(6) 0.048(2) Uani 1 1 d . . . . .
H8A H 0.249745 0.368643 0.583657 0.072 Uiso 1 1 calc R U . . .
H8B H 0.141049 0.365165 0.648553 0.072 Uiso 1 1 calc R U . . .
H8C H 0.106716 0.270513 0.544388 0.072 Uiso 1 1 calc R U . . .
C9 C 0.5656(8) 0.5287(7) 0.9025(6) 0.0395(19) Uani 1 1 d . . . . .
H9 H 0.622012 0.518248 0.954308 0.047 Uiso 1 1 calc R U . . .
C10 C 0.5853(9) 0.6257(7) 0.9128(6) 0.0394(19) Uani 1 1 d . . . . .
C11 C 0.6864(9) 0.7206(7) 1.0045(6) 0.047(2) Uani 1 1 d . . . . .
H11A H 0.729019 0.699119 1.055144 0.07 Uiso 1 1 calc R U . . .
H11B H 0.632707 0.764575 1.031694 0.07 Uiso 1 1 calc R U . . .
H11C H 0.762695 0.759081 0.985839 0.07 Uiso 1 1 calc R U . . .
C12 C 0.5075(10) 0.6441(6) 0.8292(7) 0.043(2) Uani 1 1 d . . . . .
C13 C 0.4522(17) 0.7738(11) 0.7849(11) 0.113(6) Uani 1 1 d . . . . .
H13A H 0.493511 0.761451 0.7295 0.169 Uiso 1 1 calc R U . . .
H13B H 0.465255 0.847257 0.816062 0.169 Uiso 1 1 calc R U . . .
H13C H 0.349499 0.733213 0.759517 0.169 Uiso 1 1 calc R U . . .
C14 C 0.6835(8) 0.2917(6) 0.8097(5) 0.0295(16) Uani 1 1 d . . . . .
C15 C 0.5679(9) 0.2402(7) 0.8476(7) 0.047(2) Uani 1 1 d . . . . .
H15A H 0.488741 0.184314 0.790176 0.057 Uiso 1 1 calc R U . . .
H15B H 0.528122 0.291494 0.883642 0.057 Uiso 1 1 calc R U . . .
C16 C 0.6319(9) 0.1951(7) 0.9182(7) 0.047(2) Uani 1 1 d . . . . .
H16 H 0.554863 0.161584 0.941744 0.057 Uiso 1 1 calc R U . . .
C17 C 0.6929(12) 0.1170(7) 0.8655(8) 0.060(3) Uani 1 1 d . . . . .
H17A H 0.615841 0.059105 0.808247 0.072 Uiso 1 1 calc R U . . .
H17B H 0.733768 0.089195 0.911666 0.072 Uiso 1 1 calc R U . . .
C18 C 0.8092(12) 0.1673(8) 0.8287(7) 0.061(3) Uani 1 1 d . . . . .
H18 H 0.850335 0.115312 0.79378 0.074 Uiso 1 1 calc R U . . .
C19 C 0.9277(10) 0.2569(9) 0.9168(9) 0.066(3) Uani 1 1 d . . . . .
H19A H 0.97288 0.230851 0.963163 0.08 Uiso 1 1 calc R U . . .
H19B H 1.00251 0.290248 0.892571 0.08 Uiso 1 1 calc R U . . .
C20 C 0.8653(11) 0.3354(7) 0.9715(7) 0.057(3) Uani 1 1 d . . . . .
H20 H 0.943019 0.392984 1.030065 0.069 Uiso 1 1 calc R U . . .
C21 C 0.8025(9) 0.3782(6) 0.8987(6) 0.044(2) Uani 1 1 d . . . . .
H21A H 0.764147 0.431157 0.933381 0.053 Uiso 1 1 calc R U . . .
H21B H 0.87923 0.411112 0.875524 0.053 Uiso 1 1 calc R U . . .
C22 C 0.7489(11) 0.2837(8) 1.0075(6) 0.055(3) Uani 1 1 d . . . . .
H22A H 0.707611 0.334397 1.042713 0.066 Uiso 1 1 calc R U . . .
H22B H 0.790537 0.25724 1.05475 0.066 Uiso 1 1 calc R U . . .
C23 C 0.7408(12) 0.2082(8) 0.7547(7) 0.055(3) Uani 1 1 d . . . . .
H23A H 0.813619 0.23758 0.72679 0.066 Uiso 1 1 calc R U . . .
H23B H 0.661257 0.150768 0.698883 0.066 Uiso 1 1 calc R U . . .
C24 C 0.7102(8) 0.4252(6) 0.6807(5) 0.0323(17) Uani 1 1 d . . . . .
C25 C 0.8166(9) 0.3802(7) 0.6374(7) 0.045(2) Uani 1 1 d . . . . .
H25A H 0.883574 0.372624 0.689896 0.054 Uiso 1 1 calc R U . . .
H25B H 0.763984 0.311121 0.582767 0.054 Uiso 1 1 calc R U . . .
C26 C 0.9012(10) 0.4514(8) 0.5975(7) 0.053(2) Uani 1 1 d . . . . .
H26 H 0.970053 0.421314 0.569097 0.063 Uiso 1 1 calc R U . . .
C27 C 0.9836(10) 0.5570(8) 0.6809(8) 0.058(3) Uani 1 1 d . . . . .
H27A H 1.038119 0.602598 0.654607 0.07 Uiso 1 1 calc R U . . .
H27B H 1.052858 0.551032 0.733357 0.07 Uiso 1 1 calc R U . . .
C28 C 0.8795(12) 0.6043(7) 0.7261(8) 0.060(3) Uani 1 1 d . . . . .
H28 H 0.93401 0.673742 0.781562 0.072 Uiso 1 1 calc R U . . .
C29 C 0.7727(11) 0.6139(8) 0.6423(9) 0.063(3) Uani 1 1 d . . . . .
H29A H 0.703016 0.642527 0.669442 0.075 Uiso 1 1 calc R U . . .
H29B H 0.825912 0.661327 0.617069 0.075 Uiso 1 1 calc R U . . .
C30 C 0.6949(10) 0.5094(9) 0.5588(8) 0.058(3) Uani 1 1 d . . . . .
H30 H 0.627538 0.516164 0.504979 0.069 Uiso 1 1 calc R U . . .
C31 C 0.6085(9) 0.4382(7) 0.5973(7) 0.045(2) Uani 1 1 d . . . . .
H31A H 0.553861 0.369996 0.541735 0.055 Uiso 1 1 calc R U . . .
H31B H 0.538983 0.46742 0.624112 0.055 Uiso 1 1 calc R U . . .
C32 C 0.7947(11) 0.5331(7) 0.7650(7) 0.051(2) Uani 1 1 d . . . . .
H32A H 0.727065 0.563052 0.79363 0.061 Uiso 1 1 calc R U . . .
H32B H 0.861313 0.526833 0.818661 0.061 Uiso 1 1 calc R U . . .
C33 C 0.7978(11) 0.4627(9) 0.5156(8) 0.064(3) Uani 1 1 d . . . . .
H33A H 0.852612 0.507554 0.48877 0.076 Uiso 1 1 calc R U . . .
H33B H 0.743556 0.394319 0.460248 0.076 Uiso 1 1 calc R U . . .
N1 N 0.2624(7) 0.2743(5) 0.6565(5) 0.0354(15) Uani 1 1 d . . . . .
O1 O 0.4382(7) 0.5796(5) 0.7460(5) 0.0555(17) Uani 1 1 d . . . . .
O2 O 0.5231(9) 0.7438(5) 0.8576(6) 0.076(2) Uani 1 1 d . . . . .
Sb1 Sb 0.20723(14) 0.90288(8) 0.64745(13) 0.0518(4) Uani 0.822(5) 1 d D U P A 1
F1 F 0.3314(9) 0.8287(6) 0.6252(6) 0.074(2) Uani 0.822(5) 1 d D U P A 1
F2 F 0.1429(8) 0.8665(6) 0.5096(6) 0.080(2) Uani 0.822(5) 1 d D U P A 1
F3 F 0.0806(8) 0.9763(6) 0.6654(7) 0.085(2) Uani 0.822(5) 1 d D U P A 1
F4 F 0.2754(10) 0.9393(8) 0.7846(6) 0.094(3) Uani 0.822(5) 1 d D U P A 1
F5 F 0.0659(10) 0.7831(6) 0.6290(7) 0.088(2) Uani 0.822(5) 1 d D U P A 1
F6 F 0.3490(8) 1.0194(5) 0.6574(7) 0.079(2) Uani 0.822(5) 1 d D U P A 1
Sb1' Sb 0.1761(8) 0.9069(5) 0.6901(8) 0.0757(19) Uani 0.178(5) 1 d D U P A 2
F1' F 0.226(4) 0.7969(19) 0.615(2) 0.092(5) Uani 0.178(5) 1 d D U P A 2
F2' F 0.126(3) 0.930(3) 0.572(2) 0.083(5) Uani 0.178(5) 1 d D U P A 2
F3' F 0.123(4) 1.0188(19) 0.753(3) 0.094(6) Uani 0.178(5) 1 d D U P A 2
F4' F 0.213(4) 0.873(3) 0.7979(18) 0.092(6) Uani 0.178(5) 1 d D U P A 2
F5' F -0.012(2) 0.816(2) 0.643(3) 0.099(7) Uani 0.178(5) 1 d D U P A 2
F6' F 0.363(2) 0.993(2) 0.715(3) 0.092(6) Uani 0.178(5) 1 d D U P A 2
P1 P 0.5923(2) 0.34031(15) 0.72413(14) 0.0279(4) Uani 1 1 d . . . . .
Au1 Au 0.42528(3) 0.40411(2) 0.78557(2) 0.03162(11) Uani 1 1 d . . . . .
Cl1 Cl 0.2444(2) 0.45001(17) 0.84983(16) 0.0441(5) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
C1 C6 1.384(11) . ?
C1 C2 1.436(11) . ?
C1 P1 1.811(7) . ?
C2 C3 1.381(12) . ?
C2 H2 0.95 . ?
C3 C4 1.375(14) . ?
C3 H3 0.95 . ?
C4 C5 1.353(14) . ?
C4 H4 0.95 . ?
C5 C6 1.427(11) . ?
C5 H5 0.95 . ?
C6 N1 1.460(11) . ?
C7 N1 1.490(10) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.494(10) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C10 1.336(11) . ?
C9 Au1 1.998(8) . ?
C9 H9 0.95 . ?
C10 C12 1.488(12) . ?
C10 C11 1.523(11) . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 O1 1.212(10) . ?
C12 O2 1.335(10) . ?
C13 O2 1.441(13) . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 C21 1.517(10) . ?
C14 C15 1.533(11) . ?
C14 C23 1.539(11) . ?
C14 P1 1.868(7) . ?
C15 C16 1.548(11) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 C17 1.498(14) . ?
C16 C22 1.522(13) . ?
C16 H16 1 . ?
C17 C18 1.520(15) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 C19 1.526(15) . ?
C18 C23 1.558(12) . ?
C18 H18 1 . ?
C19 C20 1.523(15) . ?
C19 H19A 0.99 . ?
C19 H19B 0.99 . ?
C20 C22 1.521(14) . ?
C20 C21 1.543(11) . ?
C20 H20 1 . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 C25 1.531(11) . ?
C24 C32 1.543(11) . ?
C24 C31 1.554(10) . ?
C24 P1 1.867(7) . ?
C25 C26 1.531(12) . ?
C25 H25A 0.99 . ?
C25 H25B 0.99 . ?
C26 C27 1.516(14) . ?
C26 C33 1.534(13) . ?
C26 H26 1 . ?
C27 C28 1.538(14) . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 C32 1.520(12) . ?
C28 C29 1.560(15) . ?
C28 H28 1 . ?
C29 C30 1.500(15) . ?
C29 H29A 0.99 . ?
C29 H29B 0.99 . ?
C30 C33 1.511(14) . ?
C30 C31 1.524(12) . ?
C30 H30 1 . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
N1 Au1 2.186(6) . ?
Sb1 F5 1.860(7) . ?
Sb1 F1 1.864(8) . ?
Sb1 F4 1.869(8) . ?
Sb1 F3 1.871(8) . ?
Sb1 F6 1.873(7) . ?
Sb1 F2 1.876(8) . ?
Sb1' F4' 1.839(17) . ?
Sb1' F5' 1.859(17) . ?
Sb1' F3' 1.863(17) . ?
Sb1' F6' 1.871(17) . ?
Sb1' F1' 1.875(17) . ?
Sb1' F2' 1.911(17) . ?
P1 Au1 2.319(2) . ?
Au1 Cl1 2.361(2) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 117.8(7) . . ?
C6 C1 P1 120.0(6) . . ?
C2 C1 P1 122.1(6) . . ?
C3 C2 C1 120.1(9) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 120.7(9) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 120.7(9) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.3(9) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 120.2(8) . . ?
C1 C6 N1 122.0(7) . . ?
C5 C6 N1 117.8(8) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Au1 124.4(6) . . ?
C10 C9 H9 117.8 . . ?
Au1 C9 H9 117.8 . . ?
C9 C10 C12 118.9(8) . . ?
C9 C10 C11 124.3(8) . . ?
C12 C10 C11 116.8(7) . . ?
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 . . ?
O1 C12 O2 123.0(8) . . ?
O1 C12 C10 126.3(8) . . ?
O2 C12 C10 110.7(8) . . ?
O2 C13 H13A 109.5 . . ?
O2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C21 C14 C15 108.7(7) . . ?
C21 C14 C23 110.5(7) . . ?
C15 C14 C23 106.9(7) . . ?
C21 C14 P1 112.2(5) . . ?
C15 C14 P1 106.2(5) . . ?
C23 C14 P1 112.0(5) . . ?
C14 C15 C16 110.5(7) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C22 110.2(8) . . ?
C17 C16 C15 110.7(8) . . ?
C22 C16 C15 108.1(7) . . ?
C17 C16 H16 109.3 . . ?
C22 C16 H16 109.3 . . ?
C15 C16 H16 109.3 . . ?
C16 C17 C18 109.6(8) . . ?
C16 C17 H17A 109.8 . . ?
C18 C17 H17A 109.8 . . ?
C16 C17 H17B 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
C17 C18 C19 109.8(8) . . ?
C17 C18 C23 108.5(9) . . ?
C19 C18 C23 109.5(9) . . ?
C17 C18 H18 109.7 . . ?
C19 C18 H18 109.7 . . ?
C23 C18 H18 109.7 . . ?
C20 C19 C18 109.9(7) . . ?
C20 C19 H19A 109.7 . . ?
C18 C19 H19A 109.7 . . ?
C20 C19 H19B 109.7 . . ?
C18 C19 H19B 109.7 . . ?
H19A C19 H19B 108.2 . . ?
C22 C20 C19 109.6(7) . . ?
C22 C20 C21 110.5(8) . . ?
C19 C20 C21 108.2(8) . . ?
C22 C20 H20 109.5 . . ?
C19 C20 H20 109.5 . . ?
C21 C20 H20 109.5 . . ?
C14 C21 C20 110.1(7) . . ?
C14 C21 H21A 109.6 . . ?
C20 C21 H21A 109.6 . . ?
C14 C21 H21B 109.6 . . ?
C20 C21 H21B 109.6 . . ?
H21A C21 H21B 108.2 . . ?
C20 C22 C16 109.2(7) . . ?
C20 C22 H22A 109.8 . . ?
C16 C22 H22A 109.8 . . ?
C20 C22 H22B 109.8 . . ?
C16 C22 H22B 109.8 . . ?
H22A C22 H22B 108.3 . . ?
C14 C23 C18 109.7(7) . . ?
C14 C23 H23A 109.7 . . ?
C18 C23 H23A 109.7 . . ?
C14 C23 H23B 109.7 . . ?
C18 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
C25 C24 C32 108.6(7) . . ?
C25 C24 C31 108.5(7) . . ?
C32 C24 C31 108.0(7) . . ?
C25 C24 P1 113.6(6) . . ?
C32 C24 P1 111.7(5) . . ?
C31 C24 P1 106.2(5) . . ?
C26 C25 C24 109.9(7) . . ?
C26 C25 H25A 109.7 . . ?
C24 C25 H25A 109.7 . . ?
C26 C25 H25B 109.7 . . ?
C24 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
C27 C26 C25 110.0(8) . . ?
C27 C26 C33 108.8(8) . . ?
C25 C26 C33 109.8(8) . . ?
C27 C26 H26 109.4 . . ?
C25 C26 H26 109.4 . . ?
C33 C26 H26 109.4 . . ?
C26 C27 C28 110.2(8) . . ?
C26 C27 H27A 109.6 . . ?
C28 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
C28 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
C32 C28 C27 109.2(8) . . ?
C32 C28 C29 108.7(9) . . ?
C27 C28 C29 108.5(8) . . ?
C32 C28 H28 110.1 . . ?
C27 C28 H28 110.1 . . ?
C29 C28 H28 110.1 . . ?
C30 C29 C28 109.2(8) . . ?
C30 C29 H29A 109.8 . . ?
C28 C29 H29A 109.8 . . ?
C30 C29 H29B 109.8 . . ?
C28 C29 H29B 109.8 . . ?
H29A C29 H29B 108.3 . . ?
C29 C30 C33 111.5(9) . . ?
C29 C30 C31 109.5(8) . . ?
C33 C30 C31 109.2(8) . . ?
C29 C30 H30 108.9 . . ?
C33 C30 H30 108.9 . . ?
C31 C30 H30 108.9 . . ?
C30 C31 C24 110.2(7) . . ?
C30 C31 H31A 109.6 . . ?
C24 C31 H31A 109.6 . . ?
C30 C31 H31B 109.6 . . ?
C24 C31 H31B 109.6 . . ?
H31A C31 H31B 108.1 . . ?
C28 C32 C24 111.0(7) . . ?
C28 C32 H32A 109.4 . . ?
C24 C32 H32A 109.4 . . ?
C28 C32 H32B 109.4 . . ?
C24 C32 H32B 109.4 . . ?
H32A C32 H32B 108 . . ?
C30 C33 C26 109.3(8) . . ?
C30 C33 H33A 109.8 . . ?
C26 C33 H33A 109.8 . . ?
C30 C33 H33B 109.8 . . ?
C26 C33 H33B 109.8 . . ?
H33A C33 H33B 108.3 . . ?
C6 N1 C7 110.0(7) . . ?
C6 N1 C8 111.0(6) . . ?
C7 N1 C8 108.7(7) . . ?
C6 N1 Au1 112.7(5) . . ?
C7 N1 Au1 110.2(5) . . ?
C8 N1 Au1 104.1(5) . . ?
C12 O2 C13 117.3(9) . . ?
F5 Sb1 F1 89.1(4) . . ?
F5 Sb1 F4 92.1(4) . . ?
F1 Sb1 F4 90.2(4) . . ?
F5 Sb1 F3 90.9(4) . . ?
F1 Sb1 F3 178.1(4) . . ?
F4 Sb1 F3 91.6(4) . . ?
F5 Sb1 F6 176.3(4) . . ?
F1 Sb1 F6 89.3(4) . . ?
F4 Sb1 F6 91.2(4) . . ?
F3 Sb1 F6 90.6(4) . . ?
F5 Sb1 F2 88.6(4) . . ?
F1 Sb1 F2 88.7(4) . . ?
F4 Sb1 F2 178.7(4) . . ?
F3 Sb1 F2 89.4(4) . . ?
F6 Sb1 F2 88.1(4) . . ?
F4' Sb1' F5' 91.0(13) . . ?
F4' Sb1' F3' 96.0(14) . . ?
F5' Sb1' F3' 92.4(14) . . ?
F4' Sb1' F6' 97.2(14) . . ?
F5' Sb1' F6' 170.4(15) . . ?
F3' Sb1' F6' 91.7(13) . . ?
F4' Sb1' F1' 89.9(13) . . ?
F5' Sb1' F1' 87.4(13) . . ?
F3' Sb1' F1' 174.1(14) . . ?
F6' Sb1' F1' 87.7(13) . . ?
F4' Sb1' F2' 175.1(14) . . ?
F5' Sb1' F2' 84.8(12) . . ?
F3' Sb1' F2' 86.7(13) . . ?
F6' Sb1' F2' 86.8(12) . . ?
F1' Sb1' F2' 87.4(13) . . ?
C1 P1 C24 106.6(3) . . ?
C1 P1 C14 108.2(3) . . ?
C24 P1 C14 116.7(3) . . ?
C1 P1 Au1 98.9(3) . . ?
C24 P1 Au1 114.4(3) . . ?
C14 P1 Au1 110.3(2) . . ?
C9 Au1 N1 176.0(3) . . ?
C9 Au1 P1 96.9(2) . . ?
N1 Au1 P1 86.29(18) . . ?
C9 Au1 Cl1 86.6(2) . . ?
N1 Au1 Cl1 90.42(19) . . ?
P1 Au1 Cl1 173.08(7) . . ?




# END of CIF


####################################################################### 
# 
# 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_JRV616
_database_code_depnum_ccdc_archive 'CCDC 2069845'
loop_
_audit_author_name
_audit_author_address
'Sonia Mallet-Ladeira'
;CNRS
France
;
_audit_update_record             
;
2021-03-11 deposited with the CCDC.	2021-04-22 downloaded from the CCDC.
;


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

_chemical_formula_moiety         'C33 H47 Au Cl N O2 P, F6 Sb'
_chemical_formula_sum            'C33 H47 Au Cl F6 N O2 P Sb'
_chemical_formula_weight         988.87

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

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 21/n'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_Int_Tables_number      14
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   9.7524(11)
_cell_length_b                   25.856(3)
_cell_length_c                   14.5514(17)
_cell_angle_alpha                90
_cell_angle_beta                 106.770(3)
_cell_angle_gamma                90
_cell_volume                     3513.2(7)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9921
_cell_measurement_theta_min      2.69
_cell_measurement_theta_max      28.57

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

_exptl_crystal_description       needle
_exptl_crystal_colour            brown
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1936

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

_exptl_absorpt_coefficient_mu    5.125
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_absorpt_correction_T_min  0.6331
_exptl_absorpt_correction_T_max  0.7468

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

_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_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  0.1249
_diffrn_reflns_av_unetI/netI     0.0672
_diffrn_reflns_number            152578
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.149
_diffrn_reflns_theta_max         34.381
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_reflns_Friedel_coverage         0
_reflns_number_total             14636
_reflns_number_gt                9988
_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-2018/3 (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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0255P)²+2.4900P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14636
_refine_ls_number_parameters     448
_refine_ls_number_restraints     77
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0395
_refine_ls_wR_factor_ref         0.0805
_refine_ls_wR_factor_gt          0.0686
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_restrained_S_all      1.029
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.556
_refine_diff_density_min         -2.18
_refine_diff_density_rms         0.218

#----------------------------------------------------------------------------#
#                   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 0.0033 0.0016 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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
C1 C 0.3178(4) 0.29082(13) 0.5433(3) 0.0198(7) Uani 1 1 d . . . . .
C2 C 0.2131(4) 0.25193(14) 0.5279(3) 0.0274(8) Uani 1 1 d . . . . .
H2 H 0.117835 0.260837 0.525999 0.033 Uiso 1 1 calc R U . . .
C3 C 0.2463(4) 0.20095(14) 0.5155(3) 0.0308(9) Uani 1 1 d . . . . .
H3 H 0.173987 0.175118 0.503631 0.037 Uiso 1 1 calc R U . . .
C4 C 0.3862(5) 0.18786(14) 0.5204(3) 0.0349(10) Uani 1 1 d . . . . .
H4 H 0.409926 0.152711 0.513596 0.042 Uiso 1 1 calc R U . . .
C5 C 0.4908(4) 0.22496(14) 0.5351(3) 0.0300(9) Uani 1 1 d . . . . .
H5 H 0.586252 0.215517 0.538575 0.036 Uiso 1 1 calc R U . . .
C6 C 0.4565(4) 0.27642(13) 0.5449(3) 0.0217(7) Uani 1 1 d . . . . .
C7 C 0.6890(4) 0.30620(16) 0.6451(3) 0.0356(10) Uani 1 1 d . . . . .
H7A H 0.651314 0.307055 0.700675 0.053 Uiso 1 1 calc R U . . .
H7B H 0.762759 0.332872 0.652394 0.053 Uiso 1 1 calc R U . . .
H7C H 0.730815 0.272136 0.640931 0.053 Uiso 1 1 calc R U . . .
C8 C 0.6244(5) 0.31324(17) 0.4690(3) 0.0386(10) Uani 1 1 d . . . . .
H8A H 0.665767 0.278939 0.466231 0.058 Uiso 1 1 calc R U . . .
H8B H 0.698173 0.339709 0.474115 0.058 Uiso 1 1 calc R U . . .
H8C H 0.545505 0.319094 0.410594 0.058 Uiso 1 1 calc R U . . .
C9 C 0.1422(4) 0.38058(13) 0.4484(2) 0.0188(6) Uani 1 1 d . . . . .
C10 C 0.1825(4) 0.35659(16) 0.3624(3) 0.0286(8) Uani 1 1 d . . . . .
H10A H 0.280574 0.367355 0.364067 0.034 Uiso 1 1 calc R U . . .
H10B H 0.180806 0.318394 0.366693 0.034 Uiso 1 1 calc R U . . .
C11 C 0.0763(4) 0.37440(18) 0.2684(3) 0.0330(9) Uani 1 1 d . . . . .
H11 H 0.102014 0.358331 0.213073 0.04 Uiso 1 1 calc R U . . .
C12 C -0.0747(4) 0.35803(17) 0.2661(3) 0.0331(9) Uani 1 1 d . . . . .
H12A H -0.079 0.319898 0.270608 0.04 Uiso 1 1 calc R U . . .
H12B H -0.142922 0.368826 0.204458 0.04 Uiso 1 1 calc R U . . .
C13 C -0.1173(4) 0.38257(16) 0.3491(3) 0.0292(9) Uani 1 1 d . . . . .
H13 H -0.216707 0.371603 0.346381 0.035 Uiso 1 1 calc R U . . .
C14 C -0.1116(4) 0.44120(17) 0.3423(3) 0.0328(9) Uani 1 1 d . . . . .
H14A H -0.137822 0.457156 0.396699 0.039 Uiso 1 1 calc R U . . .
H14B H -0.180705 0.453116 0.281853 0.039 Uiso 1 1 calc R U . . .
C15 C 0.0409(4) 0.45760(17) 0.3445(3) 0.0347(10) Uani 1 1 d . . . . .
H15 H 0.044881 0.496125 0.339828 0.042 Uiso 1 1 calc R U . . .
C16 C 0.1476(4) 0.43985(14) 0.4391(3) 0.0278(8) Uani 1 1 d . . . . .
H16A H 0.12355 0.456336 0.493885 0.033 Uiso 1 1 calc R U . . .
H16B H 0.245645 0.450663 0.440676 0.033 Uiso 1 1 calc R U . . .
C17 C 0.0815(5) 0.43349(18) 0.2606(3) 0.0383(11) Uani 1 1 d . . . . .
H17A H 0.179126 0.44458 0.261649 0.046 Uiso 1 1 calc R U . . .
H17B H 0.01395 0.445051 0.199255 0.046 Uiso 1 1 calc R U . . .
C18 C -0.0125(4) 0.36462(15) 0.4448(3) 0.0241(7) Uani 1 1 d . . . . .
H18A H -0.018017 0.32658 0.450612 0.029 Uiso 1 1 calc R U . . .
H18B H -0.038975 0.380582 0.499132 0.029 Uiso 1 1 calc R U . . .
C19 C 0.2274(4) 0.36174(13) 0.6747(2) 0.0196(7) Uani 1 1 d . . . . .
C20 C 0.1073(4) 0.32352(14) 0.6806(3) 0.0243(7) Uani 1 1 d . . . . .
H20A H 0.018584 0.331174 0.628688 0.029 Uiso 1 1 calc R U . . .
H20B H 0.136767 0.287641 0.671931 0.029 Uiso 1 1 calc R U . . .
C21 C 0.0787(4) 0.32879(16) 0.7787(3) 0.0303(9) Uani 1 1 d . . . . .
H21 H 0.000414 0.304438 0.781551 0.036 Uiso 1 1 calc R U . . .
C22 C 0.0341(4) 0.38386(17) 0.7942(3) 0.0339(9) Uani 1 1 d . . . . .
H22A H 0.015374 0.386567 0.857372 0.041 Uiso 1 1 calc R U . . .
H22B H -0.054829 0.393041 0.743775 0.041 Uiso 1 1 calc R U . . .
C23 C 0.1557(5) 0.42122(16) 0.7902(3) 0.0301(8) Uani 1 1 d . . . . .
H23 H 0.127142 0.457445 0.800302 0.036 Uiso 1 1 calc R U . . .
C24 C 0.2934(5) 0.40758(17) 0.8678(3) 0.0339(9) Uani 1 1 d . . . . .
H24A H 0.278635 0.411395 0.931962 0.041 Uiso 1 1 calc R U . . .
H24B H 0.371018 0.431404 0.863939 0.041 Uiso 1 1 calc R U . . .
C25 C 0.3357(4) 0.35187(17) 0.8537(3) 0.0336(9) Uani 1 1 d . . . . .
H25 H 0.424766 0.342804 0.905499 0.04 Uiso 1 1 calc R U . . .
C26 C 0.3643(4) 0.34679(15) 0.7553(3) 0.0272(8) Uani 1 1 d . . . . .
H26A H 0.391859 0.310763 0.74581 0.033 Uiso 1 1 calc R U . . .
H26B H 0.444298 0.369818 0.752803 0.033 Uiso 1 1 calc R U . . .
C27 C 0.1805(4) 0.41697(14) 0.6907(3) 0.0247(7) Uani 1 1 d . . . . .
H27A H 0.091024 0.42569 0.640369 0.03 Uiso 1 1 calc R U . . .
H27B H 0.255348 0.441873 0.686139 0.03 Uiso 1 1 calc R U . . .
C28 C 0.2161(5) 0.31446(17) 0.8578(3) 0.0345(9) Uani 1 1 d . . . . .
H28A H 0.198772 0.31655 0.921412 0.041 Uiso 1 1 calc R U . . .
H28B H 0.244581 0.278569 0.84816 0.041 Uiso 1 1 calc R U . . .
C29 C 0.4552(4) 0.46753(13) 0.6049(3) 0.0274(8) Uani 1 1 d . . . . .
H29 H 0.388832 0.486836 0.556382 0.033 Uiso 1 1 calc R U . . .
C30 C 0.5119(4) 0.49004(15) 0.6882(3) 0.0311(9) Uani 1 1 d . . . . .
H30 H 0.487174 0.525048 0.695333 0.037 Uiso 1 1 calc R U . . .
C31 C 0.6115(5) 0.46427(18) 0.7712(3) 0.0400(10) Uani 1 1 d D . . . .
O2 O 0.6679(8) 0.4997(2) 0.8420(4) 0.0486(16) Uani 0.680(10) 1 d D U P A 1
C32 C 0.7763(10) 0.4820(4) 0.9271(6) 0.062(2) Uani 0.680(10) 1 d D U P A 1
H32A H 0.837899 0.511462 0.957014 0.074 Uiso 0.680(10) 1 calc R U P A 1
H32B H 0.837537 0.455752 0.908747 0.074 Uiso 0.680(10) 1 calc R U P A 1
C33 C 0.7101(11) 0.4593(4) 0.9974(7) 0.071(3) Uani 0.680(10) 1 d D U P A 1
H33A H 0.652156 0.48557 1.017336 0.107 Uiso 0.680(10) 1 calc R U P A 1
H33B H 0.785352 0.447072 1.053588 0.107 Uiso 0.680(10) 1 calc R U P A 1
H33C H 0.648934 0.430141 0.96782 0.107 Uiso 0.680(10) 1 calc R U P A 1
O2' O 0.6100(16) 0.4916(6) 0.8528(8) 0.053(3) Uani 0.320(10) 1 d D U P A 2
C32' C 0.6955(19) 0.4710(8) 0.9436(12) 0.062(3) Uani 0.320(10) 1 d D U P A 2
H32C H 0.686952 0.432828 0.942198 0.074 Uiso 0.320(10) 1 calc R U P A 2
H32D H 0.65721 0.483944 0.995356 0.074 Uiso 0.320(10) 1 calc R U P A 2
C33' C 0.848(2) 0.4851(10) 0.9661(16) 0.084(5) Uani 0.320(10) 1 d D U P A 2
H33D H 0.885962 0.473041 0.914513 0.126 Uiso 0.320(10) 1 calc R U P A 2
H33E H 0.90112 0.468893 1.026743 0.126 Uiso 0.320(10) 1 calc R U P A 2
H33F H 0.857653 0.52277 0.971945 0.126 Uiso 0.320(10) 1 calc R U P A 2
N1 N 0.5691(3) 0.31628(11) 0.5549(2) 0.0222(6) Uani 1 1 d . . . . .
O1 O 0.6521(3) 0.42024(12) 0.7748(2) 0.0412(7) Uani 1 1 d . . . . .
F1 F 0.9122(3) 0.21425(10) 0.57328(17) 0.0386(6) Uani 1 1 d . . . . .
F2 F 0.7687(3) 0.13256(11) 0.60327(19) 0.0450(7) Uani 1 1 d . . . . .
F3 F 0.9749(3) 0.11300(9) 0.7657(2) 0.0464(7) Uani 1 1 d . . . . .
F4 F 1.1187(3) 0.19469(9) 0.73223(19) 0.0414(6) Uani 1 1 d . . . . .
F5 F 1.0377(3) 0.12140(11) 0.5990(2) 0.0490(7) Uani 1 1 d . . . . .
F6 F 0.8518(3) 0.20378(9) 0.73789(18) 0.0390(6) Uani 1 1 d . . . . .
P1 P 0.27831(9) 0.35821(3) 0.56057(7) 0.01710(17) Uani 1 1 d . . . . .
Sb1 Sb 0.94499(3) 0.16242(2) 0.66831(2) 0.02446(6) Uani 1 1 d . . . . .
Au1 Au 0.50006(2) 0.39452(2) 0.57338(2) 0.01868(4) Uani 1 1 d . . . . .
Cl1 Cl 0.71821(10) 0.42927(4) 0.56290(8) 0.0321(2) Uani 1 1 d . . . . .



#----------------------------------------------------------------------------#
#                   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
C1 C6 1.396(5) . ?
C1 C2 1.404(5) . ?
C1 P1 1.818(3) . ?
C2 C3 1.382(5) . ?
C2 H2 0.95 . ?
C3 C4 1.388(6) . ?
C3 H3 0.95 . ?
C4 C5 1.371(6) . ?
C4 H4 0.95 . ?
C5 C6 1.389(5) . ?
C5 H5 0.95 . ?
C6 N1 1.482(5) . ?
C7 N1 1.508(5) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.499(5) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C16 1.541(5) . ?
C9 C10 1.544(5) . ?
C9 C18 1.551(5) . ?
C9 P1 1.874(4) . ?
C10 C11 1.530(5) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.523(6) . ?
C11 C17 1.534(6) . ?
C11 H11 1 . ?
C12 C13 1.525(6) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C14 1.522(6) . ?
C13 C18 1.542(5) . ?
C13 H13 1 . ?
C14 C15 1.538(6) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 C17 1.522(6) . ?
C15 C16 1.537(5) . ?
C15 H15 1 . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 C27 1.538(5) . ?
C19 C26 1.551(5) . ?
C19 C20 1.554(5) . ?
C19 P1 1.867(4) . ?
C20 C21 1.538(5) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 C22 1.525(6) . ?
C21 C28 1.538(6) . ?
C21 H21 1 . ?
C22 C23 1.543(6) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 C24 1.525(6) . ?
C23 C27 1.539(5) . ?
C23 H23 1 . ?
C24 C25 1.528(6) . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 C28 1.529(6) . ?
C25 C26 1.542(6) . ?
C25 H25 1 . ?
C26 H26A 0.99 . ?
C26 H26B 0.99 . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 C30 1.314(6) . ?
C29 Au1 2.020(4) . ?
C29 H29 0.95 . ?
C30 C31 1.473(6) . ?
C30 H30 0.95 . ?
C31 O1 1.201(5) . ?
C31 O2 1.369(7) . ?
C31 O2' 1.386(12) . ?
O2 C32 1.451(10) . ?
C32 C33 1.479(11) . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
O2' C32' 1.446(15) . ?
C32' C33' 1.471(16) . ?
C32' H32C 0.99 . ?
C32' H32D 0.99 . ?
C33' H33D 0.98 . ?
C33' H33E 0.98 . ?
C33' H33F 0.98 . ?
N1 Au1 2.173(3) . ?
F1 Sb1 1.886(2) . ?
F2 Sb1 1.873(2) . ?
F3 Sb1 1.868(2) . ?
F4 Sb1 1.877(2) . ?
F5 Sb1 1.867(2) . ?
F6 Sb1 1.878(2) . ?
P1 Au1 2.3152(9) . ?
Au1 Cl1 2.3546(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
C6 C1 C2 117.9(3) . . ?
C6 C1 P1 119.8(3) . . ?
C2 C1 P1 122.4(3) . . ?
C3 C2 C1 121.2(4) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C2 C3 C4 119.3(4) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 120.9(4) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 120.9(3) . . ?
C5 C6 N1 118.9(3) . . ?
C1 C6 N1 120.2(3) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C16 C9 C10 107.8(3) . . ?
C16 C9 C18 108.6(3) . . ?
C10 C9 C18 109.8(3) . . ?
C16 C9 P1 110.5(2) . . ?
C10 C9 P1 107.5(2) . . ?
C18 C9 P1 112.6(2) . . ?
C11 C10 C9 109.8(3) . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 C10 109.7(3) . . ?
C12 C11 C17 109.1(3) . . ?
C10 C11 C17 109.7(3) . . ?
C12 C11 H11 109.4 . . ?
C10 C11 H11 109.4 . . ?
C17 C11 H11 109.4 . . ?
C11 C12 C13 110.5(3) . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C12 109.8(3) . . ?
C14 C13 C18 109.4(3) . . ?
C12 C13 C18 109.2(3) . . ?
C14 C13 H13 109.5 . . ?
C12 C13 H13 109.5 . . ?
C18 C13 H13 109.5 . . ?
C13 C14 C15 109.1(3) . . ?
C13 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C17 C15 C16 109.3(3) . . ?
C17 C15 C14 110.1(3) . . ?
C16 C15 C14 109.7(3) . . ?
C17 C15 H15 109.2 . . ?
C16 C15 H15 109.2 . . ?
C14 C15 H15 109.2 . . ?
C15 C16 C9 110.1(3) . . ?
C15 C16 H16A 109.6 . . ?
C9 C16 H16A 109.6 . . ?
C15 C16 H16B 109.6 . . ?
C9 C16 H16B 109.6 . . ?
H16A C16 H16B 108.2 . . ?
C15 C17 C11 109.1(3) . . ?
C15 C17 H17A 109.9 . . ?
C11 C17 H17A 109.9 . . ?
C15 C17 H17B 109.9 . . ?
C11 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
C13 C18 C9 109.6(3) . . ?
C13 C18 H18A 109.8 . . ?
C9 C18 H18A 109.8 . . ?
C13 C18 H18B 109.8 . . ?
C9 C18 H18B 109.8 . . ?
H18A C18 H18B 108.2 . . ?
C27 C19 C26 110.2(3) . . ?
C27 C19 C20 108.7(3) . . ?
C26 C19 C20 107.4(3) . . ?
C27 C19 P1 110.3(2) . . ?
C26 C19 P1 105.6(2) . . ?
C20 C19 P1 114.6(2) . . ?
C21 C20 C19 109.7(3) . . ?
C21 C20 H20A 109.7 . . ?
C19 C20 H20A 109.7 . . ?
C21 C20 H20B 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C22 C21 C20 110.9(3) . . ?
C22 C21 C28 109.8(3) . . ?
C20 C21 C28 108.7(3) . . ?
C22 C21 H21 109.1 . . ?
C20 C21 H21 109.1 . . ?
C28 C21 H21 109.1 . . ?
C21 C22 C23 108.9(3) . . ?
C21 C22 H22A 109.9 . . ?
C23 C22 H22A 109.9 . . ?
C21 C22 H22B 109.9 . . ?
C23 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C24 C23 C27 109.6(3) . . ?
C24 C23 C22 110.4(3) . . ?
C27 C23 C22 108.8(3) . . ?
C24 C23 H23 109.3 . . ?
C27 C23 H23 109.3 . . ?
C22 C23 H23 109.3 . . ?
C23 C24 C25 109.4(3) . . ?
C23 C24 H24A 109.8 . . ?
C25 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
C25 C24 H24B 109.8 . . ?
H24A C24 H24B 108.2 . . ?
C24 C25 C28 110.7(4) . . ?
C24 C25 C26 109.4(3) . . ?
C28 C25 C26 109.1(3) . . ?
C24 C25 H25 109.2 . . ?
C28 C25 H25 109.2 . . ?
C26 C25 H25 109.2 . . ?
C25 C26 C19 109.5(3) . . ?
C25 C26 H26A 109.8 . . ?
C19 C26 H26A 109.8 . . ?
C25 C26 H26B 109.8 . . ?
C19 C26 H26B 109.8 . . ?
H26A C26 H26B 108.2 . . ?
C19 C27 C23 110.1(3) . . ?
C19 C27 H27A 109.6 . . ?
C23 C27 H27A 109.6 . . ?
C19 C27 H27B 109.6 . . ?
C23 C27 H27B 109.6 . . ?
H27A C27 H27B 108.2 . . ?
C25 C28 C21 109.2(3) . . ?
C25 C28 H28A 109.8 . . ?
C21 C28 H28A 109.8 . . ?
C25 C28 H28B 109.8 . . ?
C21 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C30 C29 Au1 124.2(3) . . ?
C30 C29 H29 117.9 . . ?
Au1 C29 H29 117.9 . . ?
C29 C30 C31 123.9(4) . . ?
C29 C30 H30 118 . . ?
C31 C30 H30 118 . . ?
O1 C31 O2 123.0(5) . . ?
O1 C31 O2' 122.1(8) . . ?
O1 C31 C30 126.5(4) . . ?
O2 C31 C30 109.9(4) . . ?
O2' C31 C30 107.7(7) . . ?
C31 O2 C32 117.8(6) . . ?
O2 C32 C33 111.1(8) . . ?
O2 C32 H32A 109.4 . . ?
C33 C32 H32A 109.4 . . ?
O2 C32 H32B 109.4 . . ?
C33 C32 H32B 109.4 . . ?
H32A C32 H32B 108 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 O2' C32' 116.7(13) . . ?
O2' C32' C33' 113.0(16) . . ?
O2' C32' H32C 109 . . ?
C33' C32' H32C 109 . . ?
O2' C32' H32D 109 . . ?
C33' C32' H32D 109 . . ?
H32C C32' H32D 107.8 . . ?
C32' C33' H33D 109.5 . . ?
C32' C33' H33E 109.5 . . ?
H33D C33' H33E 109.5 . . ?
C32' C33' H33F 109.5 . . ?
H33D C33' H33F 109.5 . . ?
H33E C33' H33F 109.5 . . ?
C6 N1 C8 108.5(3) . . ?
C6 N1 C7 109.4(3) . . ?
C8 N1 C7 110.0(3) . . ?
C6 N1 Au1 114.4(2) . . ?
C8 N1 Au1 110.5(2) . . ?
C7 N1 Au1 104.1(2) . . ?
C1 P1 C19 106.91(16) . . ?
C1 P1 C9 107.49(16) . . ?
C19 P1 C9 117.16(15) . . ?
C1 P1 Au1 99.76(11) . . ?
C19 P1 Au1 112.98(11) . . ?
C9 P1 Au1 110.81(11) . . ?
F5 Sb1 F3 91.56(13) . . ?
F5 Sb1 F2 90.58(13) . . ?
F3 Sb1 F2 91.21(13) . . ?
F5 Sb1 F4 90.66(12) . . ?
F3 Sb1 F4 90.41(12) . . ?
F2 Sb1 F4 177.94(12) . . ?
F5 Sb1 F6 179.89(12) . . ?
F3 Sb1 F6 88.53(11) . . ?
F2 Sb1 F6 89.47(12) . . ?
F4 Sb1 F6 89.29(12) . . ?
F5 Sb1 F1 90.78(12) . . ?
F3 Sb1 F1 177.62(12) . . ?
F2 Sb1 F1 89.18(12) . . ?
F4 Sb1 F1 89.15(11) . . ?
F6 Sb1 F1 89.12(11) . . ?
C29 Au1 N1 173.28(14) . . ?
C29 Au1 P1 97.97(10) . . ?
N1 Au1 P1 85.87(8) . . ?
C29 Au1 Cl1 85.24(11) . . ?
N1 Au1 Cl1 91.68(8) . . ?
P1 Au1 Cl1 171.88(4) . . ?


