# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2022

####################################################################### 
# 
# 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_3b
_database_code_depnum_ccdc_archive 'CCDC 2180464'
loop_
_audit_author_name
_audit_author_address
'Sonia Ladeira'
;institut de chimie de Toulouse
France
;
_audit_update_record             
;
2022-06-20 deposited with the CCDC.	2022-08-25 downloaded from the CCDC.
;


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

_chemical_formula_moiety         'C24 H46 Au B9 Br4 N4 O2 P2'
_chemical_formula_sum            'C24 H46 Au B9 Br4 N4 O2 P2'
_chemical_formula_weight         1098.45

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

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

_cell_length_a                   21.4705(13)
_cell_length_b                   18.6774(12)
_cell_length_c                   19.3095(10)
_cell_angle_alpha                90
_cell_angle_beta                 90.509(2)
_cell_angle_gamma                90
_cell_volume                     7743.1(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9964
_cell_measurement_theta_min      2.55
_cell_measurement_theta_max      29.00

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

_exptl_crystal_description       parallelepiped
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_exptl_crystal_density_diffrn    1.885
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             4224

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

_exptl_absorpt_coefficient_mu    8.041
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.6042
_exptl_absorpt_correction_T_max  0.7461

#----------------------------------------------------------------------------#
#                   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 PHOTON3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0988
_diffrn_reflns_av_unetI/netI     0.037
_diffrn_reflns_number            227256
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.375
_diffrn_reflns_theta_max         25.362
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_reflns_Friedel_coverage         0
_reflns_number_total             14181
_reflns_number_gt                10868
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       APEX2
_computing_cell_refinement       'APEX2 and 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   mixed

#----------------------------------------------------------------------------#
#                   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)+(0.0298P)²+29.0807P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         14181
_refine_ls_number_parameters     869
_refine_ls_number_restraints     4
_refine_ls_R_factor_all          0.0582
_refine_ls_R_factor_gt           0.0346
_refine_ls_wR_factor_ref         0.0793
_refine_ls_wR_factor_gt          0.0711
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.062
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.628
_refine_diff_density_min         -0.855
_refine_diff_density_rms         0.134

#----------------------------------------------------------------------------#
#                   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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
P P 0.1023 0.0942 '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 0.0060(3) 0.7021(3) 0.7475(3) 0.0195(12) Uani 1 1 d . . . . .
C2 C 0.0120(3) 0.7864(3) 0.7471(3) 0.0208(13) Uani 1 1 d . . . . .
C3 C 0.1057(3) 0.5304(4) 0.6904(4) 0.0364(16) Uani 1 1 d . . . . .
H3A H 0.111148 0.487236 0.719591 0.044 Uiso 1 1 calc R U . . .
H3B H 0.14285 0.535842 0.660849 0.044 Uiso 1 1 calc R U . . .
C4 C 0.0485(4) 0.5243(3) 0.6472(4) 0.0423(19) Uani 1 1 d . . . . .
H4A H 0.058297 0.502654 0.601785 0.051 Uiso 1 1 calc R U . . .
H4B H 0.017269 0.493962 0.670548 0.051 Uiso 1 1 calc R U . . .
C5 C -0.0136(5) 0.6160(4) 0.5763(4) 0.064(3) Uani 1 1 d . . . . .
H5 H -0.026783 0.666995 0.581468 0.077 Uiso 1 1 calc R U . . .
C6 C -0.0716(5) 0.5715(6) 0.5736(6) 0.106(5) Uani 1 1 d . . . . .
H6A H -0.060543 0.521136 0.566823 0.159 Uiso 1 1 calc R U . . .
H6B H -0.098107 0.587626 0.535018 0.159 Uiso 1 1 calc R U . . .
H6C H -0.094244 0.576786 0.617156 0.159 Uiso 1 1 calc R U . . .
C7 C 0.0235(6) 0.6112(5) 0.5113(4) 0.089(4) Uani 1 1 d . . . . .
H7A H 0.058478 0.644935 0.51387 0.133 Uiso 1 1 calc R U . . .
H7B H -0.003083 0.623259 0.471498 0.133 Uiso 1 1 calc R U . . .
H7C H 0.039565 0.56244 0.505972 0.133 Uiso 1 1 calc R U . . .
C8 C 0.1410(3) 0.6109(4) 0.7916(3) 0.0394(17) Uani 1 1 d . . . . .
H8 H 0.125276 0.654767 0.815579 0.047 Uiso 1 1 calc R U . . .
C9 C 0.1411(4) 0.5497(5) 0.8444(4) 0.061(2) Uani 1 1 d . . . . .
H9A H 0.098246 0.53966 0.858573 0.092 Uiso 1 1 calc R U . . .
H9B H 0.166004 0.563493 0.884961 0.092 Uiso 1 1 calc R U . . .
H9C H 0.159026 0.506766 0.823265 0.092 Uiso 1 1 calc R U . . .
C10 C 0.2065(4) 0.6269(5) 0.7666(5) 0.058(2) Uani 1 1 d . . . . .
H10A H 0.221724 0.586392 0.739307 0.086 Uiso 1 1 calc R U . . .
H10B H 0.234137 0.634466 0.806631 0.086 Uiso 1 1 calc R U . . .
H10C H 0.205888 0.670108 0.737841 0.086 Uiso 1 1 calc R U . . .
C11 C 0.0607(4) 0.9569(3) 0.6517(4) 0.048(2) Uani 1 1 d . . . . .
H11A H 0.028576 0.980758 0.679944 0.058 Uiso 1 1 calc R U . . .
H11B H 0.068178 0.985998 0.609688 0.058 Uiso 1 1 calc R U . . .
C12 C 0.1202(4) 0.9472(4) 0.6928(4) 0.049(2) Uani 1 1 d . . . . .
H12A H 0.156352 0.942766 0.661593 0.059 Uiso 1 1 calc R U . . .
H12B H 0.127258 0.988336 0.724257 0.059 Uiso 1 1 calc R U . . .
C13 C 0.0140(4) 0.8681(4) 0.5641(3) 0.0378(17) Uani 1 1 d . . . . .
H13 H 0.007369 0.815132 0.561684 0.045 Uiso 1 1 calc R U . . .
C14 C -0.0482(4) 0.9023(5) 0.5540(5) 0.058(2) Uani 1 1 d . . . . .
H14A H -0.075616 0.88849 0.592039 0.087 Uiso 1 1 calc R U . . .
H14B H -0.066379 0.886336 0.509918 0.087 Uiso 1 1 calc R U . . .
H14C H -0.043376 0.954442 0.553445 0.087 Uiso 1 1 calc R U . . .
C15 C 0.0590(4) 0.8872(4) 0.5066(4) 0.050(2) Uani 1 1 d . . . . .
H15A H 0.069321 0.938243 0.509367 0.075 Uiso 1 1 calc R U . . .
H15B H 0.039594 0.876897 0.461583 0.075 Uiso 1 1 calc R U . . .
H15C H 0.097153 0.858789 0.511812 0.075 Uiso 1 1 calc R U . . .
C16 C 0.1570(4) 0.8573(5) 0.7841(4) 0.050(2) Uani 1 1 d . . . . .
H16 H 0.141917 0.810698 0.803118 0.06 Uiso 1 1 calc R U . . .
C17 C 0.1609(4) 0.9105(7) 0.8442(5) 0.088(4) Uani 1 1 d . . . . .
H17A H 0.177961 0.955973 0.827645 0.131 Uiso 1 1 calc R U . . .
H17B H 0.188144 0.891065 0.880649 0.131 Uiso 1 1 calc R U . . .
H17C H 0.119204 0.918439 0.862878 0.131 Uiso 1 1 calc R U . . .
C18 C 0.2213(4) 0.8445(6) 0.7537(5) 0.074(3) Uani 1 1 d . . . . .
H18A H 0.218784 0.806203 0.719049 0.111 Uiso 1 1 calc R U . . .
H18B H 0.2503 0.83039 0.790729 0.111 Uiso 1 1 calc R U . . .
H18C H 0.236134 0.888516 0.731771 0.111 Uiso 1 1 calc R U . . .
C19 C 0.2084(3) 0.6816(3) 0.5448(3) 0.0288(15) Uani 1 1 d . . . . .
C20 C 0.2479(3) 0.6364(4) 0.5039(3) 0.0352(16) Uani 1 1 d . . . . .
C21 C 0.2911(3) 0.6671(4) 0.4611(3) 0.0328(16) Uani 1 1 d . . . . .
C22 C 0.2973(3) 0.7410(4) 0.4572(3) 0.0314(15) Uani 1 1 d . . . . .
C23 C 0.2592(3) 0.7849(3) 0.4959(3) 0.0302(15) Uani 1 1 d . . . . .
C24 C 0.2151(3) 0.7562(3) 0.5405(3) 0.0300(14) Uani 1 1 d . . . . .
C25 C 0.6998(3) 0.7092(3) 0.4920(3) 0.0173(12) Uani 1 1 d . . . . .
C26 C 0.7004(3) 0.7936(3) 0.4925(3) 0.0169(12) Uani 1 1 d . . . . .
C27 C 0.5874(4) 0.5463(4) 0.4477(5) 0.060(2) Uani 1 1 d . . . . .
H27A H 0.543858 0.543139 0.43075 0.073 Uiso 1 1 calc R U . . .
H27B H 0.594794 0.50665 0.480811 0.073 Uiso 1 1 calc R U . . .
C28 C 0.6303(4) 0.5403(3) 0.3895(4) 0.0419(19) Uani 1 1 d . . . . .
H28A H 0.606565 0.530884 0.346311 0.05 Uiso 1 1 calc R U . . .
H28B H 0.659274 0.499858 0.397475 0.05 Uiso 1 1 calc R U . . .
C29 C 0.5571(4) 0.6387(4) 0.5391(4) 0.0433(19) Uani 1 1 d . . . . .
H29 H 0.574948 0.684331 0.557788 0.052 Uiso 1 1 calc R U . . .
C30 C 0.5577(4) 0.5836(5) 0.5980(4) 0.066(3) Uani 1 1 d . . . . .
H30A H 0.538536 0.538969 0.581713 0.098 Uiso 1 1 calc R U . . .
H30B H 0.534041 0.602357 0.637208 0.098 Uiso 1 1 calc R U . . .
H30C H 0.600722 0.574341 0.612618 0.098 Uiso 1 1 calc R U . . .
C31 C 0.4913(4) 0.6546(5) 0.5130(5) 0.065(3) Uani 1 1 d . . . . .
H31A H 0.492852 0.692065 0.477547 0.098 Uiso 1 1 calc R U . . .
H31B H 0.465735 0.670901 0.551715 0.098 Uiso 1 1 calc R U . . .
H31C H 0.473144 0.611043 0.493062 0.098 Uiso 1 1 calc R U . . .
C32 C 0.6993(3) 0.6234(4) 0.3173(3) 0.0324(15) Uani 1 1 d . . . . .
H32 H 0.709915 0.675483 0.318087 0.039 Uiso 1 1 calc R U . . .
C33 C 0.7595(4) 0.5823(4) 0.3127(4) 0.052(2) Uani 1 1 d . . . . .
H33A H 0.785865 0.593601 0.35298 0.078 Uiso 1 1 calc R U . . .
H33B H 0.781251 0.595901 0.270245 0.078 Uiso 1 1 calc R U . . .
H33C H 0.750706 0.530879 0.311892 0.078 Uiso 1 1 calc R U . . .
C34 C 0.6578(4) 0.6102(5) 0.2540(3) 0.049(2) Uani 1 1 d . . . . .
H34A H 0.648283 0.559048 0.250411 0.073 Uiso 1 1 calc R U . . .
H34B H 0.679484 0.62592 0.212232 0.073 Uiso 1 1 calc R U . . .
H34C H 0.618966 0.637319 0.258745 0.073 Uiso 1 1 calc R U . . .
C35 C 0.6008(4) 0.9653(3) 0.4369(4) 0.0387(17) Uani 1 1 d . . . . .
H35A H 0.598561 1.00817 0.466917 0.046 Uiso 1 1 calc R U . . .
H35B H 0.562274 0.962516 0.408443 0.046 Uiso 1 1 calc R U . . .
C36 C 0.6571(4) 0.9681(3) 0.3919(4) 0.0390(18) Uani 1 1 d . . . . .
H36A H 0.647734 0.994281 0.348527 0.047 Uiso 1 1 calc R U . . .
H36B H 0.691806 0.992641 0.416284 0.047 Uiso 1 1 calc R U . . .
C37 C 0.5664(3) 0.8817(4) 0.5364(4) 0.0422(18) Uani 1 1 d . . . . .
H37 H 0.582169 0.836637 0.558362 0.051 Uiso 1 1 calc R U . . .
C38 C 0.5691(4) 0.9405(5) 0.5913(4) 0.059(2) Uani 1 1 d . . . . .
H38A H 0.612676 0.95101 0.602928 0.088 Uiso 1 1 calc R U . . .
H38B H 0.547388 0.924415 0.6329 0.088 Uiso 1 1 calc R U . . .
H38C H 0.54898 0.983837 0.573233 0.088 Uiso 1 1 calc R U . . .
C39 C 0.5004(4) 0.8670(5) 0.5100(5) 0.062(3) Uani 1 1 d . . . . .
H39A H 0.482653 0.911078 0.490678 0.093 Uiso 1 1 calc R U . . .
H39B H 0.474657 0.850347 0.548384 0.093 Uiso 1 1 calc R U . . .
H39C H 0.501651 0.830097 0.473922 0.093 Uiso 1 1 calc R U . . .
C40 C 0.7006(3) 0.8737(3) 0.3091(3) 0.0304(15) Uani 1 1 d . . . . .
H40 H 0.706467 0.820637 0.308879 0.036 Uiso 1 1 calc R U . . .
C41 C 0.7637(4) 0.9076(4) 0.2995(4) 0.054(2) Uani 1 1 d . . . . .
H41A H 0.760215 0.959623 0.304763 0.08 Uiso 1 1 calc R U . . .
H41B H 0.779118 0.896385 0.253128 0.08 Uiso 1 1 calc R U . . .
H41C H 0.792789 0.888765 0.334401 0.08 Uiso 1 1 calc R U . . .
C42 C 0.6560(4) 0.8922(4) 0.2501(3) 0.0420(18) Uani 1 1 d . . . . .
H42A H 0.614362 0.873862 0.260632 0.063 Uiso 1 1 calc R U . . .
H42B H 0.670736 0.87041 0.207071 0.063 Uiso 1 1 calc R U . . .
H42C H 0.654048 0.944341 0.244464 0.063 Uiso 1 1 calc R U . . .
C43 C 0.4894(3) 0.7150(3) 0.2919(3) 0.0203(13) Uani 1 1 d . . . . .
C44 C 0.4482(3) 0.6775(3) 0.2490(3) 0.0202(13) Uani 1 1 d . . . . .
C45 C 0.4069(3) 0.7142(3) 0.2053(3) 0.0226(13) Uani 1 1 d . . . . .
C46 C 0.4041(3) 0.7884(3) 0.2069(3) 0.0205(12) Uani 1 1 d . . . . .
C47 C 0.4447(3) 0.8261(3) 0.2514(3) 0.0203(13) Uani 1 1 d . . . . .
C48 C 0.4883(3) 0.7907(3) 0.2928(3) 0.0186(12) Uani 1 1 d . . . . .
Au1 Au 0.11701(2) 0.73431(2) 0.63440(2) 0.02677(7) Uani 1 1 d . . . . .
Au2 Au 0.58669(2) 0.75414(2) 0.38304(2) 0.01841(6) Uani 1 1 d . . . . .
B1 B -0.0589(4) 0.8273(4) 0.7577(4) 0.0290(17) Uani 1 1 d . . . . .
H1 H -0.074029 0.879709 0.735038 0.035 Uiso 1 1 calc R U . . .
B11 B 0.7750(3) 0.8274(4) 0.5028(3) 0.0228(15) Uani 1 1 d . . . . .
H11 H 0.794248 0.877827 0.480136 0.027 Uiso 1 1 calc R U . . .
B18 B 0.7157(3) 0.6742(4) 0.5682(3) 0.0241(15) Uani 1 1 d . . . . .
H18 H 0.697(3) 0.623(3) 0.582(3) 0.029 Uiso 1 1 d . U . . .
B13 B 0.7921(3) 0.7013(4) 0.5865(4) 0.0261(16) Uani 1 1 d . . . . .
H13A H 0.823606 0.668009 0.619993 0.031 Uiso 1 1 calc R U . . .
B16 B 0.7164(3) 0.8279(4) 0.5689(3) 0.0240(15) Uani 1 1 d D . . . .
H16A H 0.700(3) 0.876(3) 0.586(3) 0.029 Uiso 1 1 d . U . . .
B10 B 0.7615(3) 0.7510(4) 0.4496(3) 0.0215(14) Uani 1 1 d . . . . .
H10 H 0.770197 0.751298 0.392474 0.026 Uiso 1 1 calc R U . . .
B2 B -0.0524(4) 0.7505(4) 0.7054(4) 0.0312(17) Uani 1 1 d . . . . .
H2 H -0.061708 0.751764 0.648292 0.037 Uiso 1 1 calc R U . . .
B17 B 0.7297(4) 0.7501(4) 0.6268(3) 0.0283(16) Uani 1 1 d D . . . .
H17D H 0.727(3) 0.747(3) 0.677(4) 0.034 Uiso 1 1 d . U . . .
H17E H 0.6887(8) 0.770(2) 0.601(3) 0.034 Uiso 1 1 d D U . . .
B3 B -0.0706(4) 0.6742(4) 0.7572(4) 0.0280(16) Uani 1 1 d . . . . .
H3 H -0.093379 0.625758 0.734021 0.034 Uiso 1 1 calc R U . . .
B4 B -0.0853(4) 0.7040(4) 0.8413(4) 0.0297(17) Uani 1 1 d . . . . .
H4 H -0.118887 0.674002 0.874539 0.036 Uiso 1 1 calc R U . . .
B14 B 0.7737(3) 0.6736(4) 0.5013(3) 0.0221(15) Uani 1 1 d . . . . .
H14 H 0.791819 0.622971 0.477752 0.027 Uiso 1 1 calc R U . . .
B5 B -0.0787(4) 0.8001(4) 0.8430(4) 0.0316(18) Uani 1 1 d . . . . .
H5A H -0.107332 0.835292 0.877236 0.038 Uiso 1 1 calc R U . . .
B6 B -0.1117(4) 0.7559(4) 0.7680(4) 0.0329(17) Uani 1 1 d . . . . .
H6 H -0.162098 0.761394 0.753381 0.039 Uiso 1 1 calc R U . . .
B7 B -0.0116(4) 0.6683(4) 0.8233(3) 0.0252(16) Uani 1 1 d . . . . .
H7 H 0.008(3) 0.621(3) 0.837(3) 0.03 Uiso 1 1 d . U . . .
B8 B -0.0199(4) 0.7450(4) 0.8811(4) 0.0279(16) Uani 1 1 d D . . . .
H8A H -0.012(3) 0.746(3) 0.933(3) 0.033 Uiso 1 1 d . U . . .
H8B H 0.0223(11) 0.7584(18) 0.854(3) 0.033 Uiso 1 1 d D U . . .
B9 B 0.0000(4) 0.8205(4) 0.8245(3) 0.0243(15) Uani 1 1 d D . . . .
H9 H 0.023(3) 0.870(3) 0.835(3) 0.029 Uiso 1 1 d . U . . .
B15 B 0.8220(3) 0.7501(4) 0.5127(3) 0.0255(15) Uani 1 1 d . . . . .
H15 H 0.872414 0.749597 0.498489 0.031 Uiso 1 1 calc R U . . .
B12 B 0.7926(4) 0.7993(4) 0.5873(4) 0.0304(17) Uani 1 1 d . . . . .
H12 H 0.824169 0.832037 0.621248 0.036 Uiso 1 1 calc R U . . .
Br1 Br 0.23413(4) 0.53756(4) 0.51244(4) 0.0465(2) Uani 1 1 d . . . . .
Br2 Br 0.34259(4) 0.60652(5) 0.40716(4) 0.0509(2) Uani 1 1 d . . . . .
Br3 Br 0.35668(4) 0.78236(5) 0.39648(4) 0.0566(2) Uani 1 1 d . . . . .
Br4 Br 0.26440(4) 0.88611(4) 0.49287(4) 0.04075(18) Uani 1 1 d . . . . .
Br5 Br 0.45202(3) 0.57638(3) 0.25330(3) 0.02925(15) Uani 1 1 d . . . . .
Br6 Br 0.35589(3) 0.66217(3) 0.14259(3) 0.03304(16) Uani 1 1 d . . . . .
Br7 Br 0.34722(3) 0.83821(3) 0.14976(4) 0.03455(16) Uani 1 1 d . . . . .
Br8 Br 0.44291(3) 0.92676(3) 0.25908(3) 0.03074(15) Uani 1 1 d . . . . .
N1 N 0.0244(3) 0.5977(3) 0.6379(3) 0.0311(13) Uani 1 1 d . . . . .
N2 N 0.0973(2) 0.5946(3) 0.7342(3) 0.0274(12) Uani 1 1 d . . . . .
N3 N 0.0411(3) 0.8834(3) 0.6327(3) 0.0293(12) Uani 1 1 d . . . . .
N4 N 0.1113(3) 0.8814(3) 0.7322(3) 0.0320(13) Uani 1 1 d . . . . .
N5 N 0.5976(2) 0.6146(3) 0.4820(2) 0.0259(12) Uani 1 1 d . . . . .
N6 N 0.6657(2) 0.6070(2) 0.3825(2) 0.0228(11) Uani 1 1 d . . . . .
N7 N 0.6088(3) 0.8995(3) 0.4791(2) 0.0279(12) Uani 1 1 d . . . . .
N8 N 0.6740(2) 0.8936(2) 0.3768(2) 0.0232(11) Uani 1 1 d . . . . .
O1 O 0.1652(2) 0.6537(2) 0.5861(2) 0.0378(12) Uani 1 1 d . . . . .
O2 O 0.1782(2) 0.7976(2) 0.5791(2) 0.0359(11) Uani 1 1 d . . . . .
O3 O 0.53003(19) 0.6807(2) 0.3334(2) 0.0265(10) Uani 1 1 d . . . . .
O4 O 0.52855(19) 0.8261(2) 0.3332(2) 0.0254(10) Uani 1 1 d . . . . .
P1 P 0.05685(8) 0.65392(8) 0.69130(8) 0.0212(3) Uani 1 1 d . . . . .
P2 P 0.06711(8) 0.82553(8) 0.68855(8) 0.0214(3) Uani 1 1 d . . . . .
P3 P 0.64251(7) 0.66726(7) 0.43711(7) 0.0172(3) Uani 1 1 d . . . . .
P4 P 0.64658(7) 0.83872(7) 0.43467(7) 0.0166(3) 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 C2 1.580(8) . ?
C1 B7 1.642(8) . ?
C1 B3 1.737(9) . ?
C1 B2 1.741(9) . ?
C1 P1 1.789(6) . ?
C2 B9 1.646(8) . ?
C2 B1 1.717(9) . ?
C2 B2 1.729(9) . ?
C2 P2 1.798(6) . ?
C3 N2 1.478(8) . ?
C3 C4 1.483(10) . ?
C3 H3A 0.99 . ?
C3 H3B 0.99 . ?
C4 N1 1.476(8) . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 N1 1.476(9) . ?
C5 C7 1.494(14) . ?
C5 C6 1.498(14) . ?
C5 H5 1 . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N2 1.478(8) . ?
C8 C10 1.522(10) . ?
C8 C9 1.531(10) . ?
C8 H8 1 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 N3 1.481(8) . ?
C11 C12 1.509(11) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 N4 1.458(9) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 N3 1.470(8) . ?
C13 C14 1.492(11) . ?
C13 C15 1.521(10) . ?
C13 H13 1 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 H15A 0.98 . ?
C15 H15B 0.98 . ?
C15 H15C 0.98 . ?
C16 N4 1.467(9) . ?
C16 C18 1.524(12) . ?
C16 C17 1.530(11) . ?
C16 H16 1 . ?
C17 H17A 0.98 . ?
C17 H17B 0.98 . ?
C17 H17C 0.98 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
C19 O1 1.334(7) . ?
C19 C24 1.405(9) . ?
C19 C20 1.438(9) . ?
C20 C21 1.374(9) . ?
C20 Br1 1.876(7) . ?
C21 C22 1.388(9) . ?
C21 Br2 1.900(6) . ?
C22 C23 1.381(9) . ?
C22 Br3 1.904(6) . ?
C23 C24 1.392(9) . ?
C23 Br4 1.895(6) . ?
C24 O2 1.337(7) . ?
C25 C26 1.576(7) . ?
C25 B18 1.644(8) . ?
C25 B14 1.728(9) . ?
C25 B10 1.747(8) . ?
C25 P3 1.796(6) . ?
C26 B16 1.641(8) . ?
C26 B11 1.730(9) . ?
C26 B10 1.749(8) . ?
C26 P4 1.809(6) . ?
C27 N5 1.453(9) . ?
C27 C28 1.464(11) . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 N6 1.467(8) . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 N5 1.479(9) . ?
C29 C31 1.525(11) . ?
C29 C30 1.534(10) . ?
C29 H29 1 . ?
C30 H30A 0.98 . ?
C30 H30B 0.98 . ?
C30 H30C 0.98 . ?
C31 H31A 0.98 . ?
C31 H31B 0.98 . ?
C31 H31C 0.98 . ?
C32 N6 1.487(8) . ?
C32 C33 1.507(10) . ?
C32 C34 1.526(10) . ?
C32 H32 1 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
C34 H34A 0.98 . ?
C34 H34B 0.98 . ?
C34 H34C 0.98 . ?
C35 N7 1.483(8) . ?
C35 C36 1.497(10) . ?
C35 H35A 0.99 . ?
C35 H35B 0.99 . ?
C36 N8 1.467(7) . ?
C36 H36A 0.99 . ?
C36 H36B 0.99 . ?
C37 N7 1.476(9) . ?
C37 C39 1.526(11) . ?
C37 C38 1.528(10) . ?
C37 H37 1 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 H39A 0.98 . ?
C39 H39B 0.98 . ?
C39 H39C 0.98 . ?
C40 N8 1.478(8) . ?
C40 C41 1.508(10) . ?
C40 C42 1.522(9) . ?
C40 H40 1 . ?
C41 H41A 0.98 . ?
C41 H41B 0.98 . ?
C41 H41C 0.98 . ?
C42 H42A 0.98 . ?
C42 H42B 0.98 . ?
C42 H42C 0.98 . ?
C43 O3 1.342(7) . ?
C43 C44 1.397(8) . ?
C43 C48 1.413(8) . ?
C44 C45 1.396(8) . ?
C44 Br5 1.892(5) . ?
C45 C46 1.388(8) . ?
C45 Br6 1.895(6) . ?
C46 C47 1.406(8) . ?
C46 Br7 1.885(5) . ?
C47 C48 1.393(8) . ?
C47 Br8 1.887(5) . ?
C48 O4 1.335(7) . ?
Au1 O1 2.056(4) . ?
Au1 O2 2.071(4) . ?
Au1 P1 2.2704(15) . ?
Au1 P2 2.2724(15) . ?
Au2 O3 2.063(4) . ?
Au2 O4 2.066(4) . ?
Au2 P4 2.2629(14) . ?
Au2 P3 2.2665(14) . ?
B1 B2 1.760(10) . ?
B1 B6 1.762(11) . ?
B1 B5 1.779(10) . ?
B1 B9 1.802(10) . ?
B1 H1 1.12 . ?
B11 B12 1.752(10) . ?
B11 B15 1.770(10) . ?
B11 B10 1.780(9) . ?
B11 B16 1.799(10) . ?
B11 H11 1.12 . ?
B18 B13 1.751(10) . ?
B18 B14 1.802(10) . ?
B18 B17 1.838(10) . ?
B18 H18 1.07(6) . ?
B13 B14 1.767(9) . ?
B13 B17 1.804(11) . ?
B13 B15 1.813(10) . ?
B13 B12 1.829(10) . ?
B13 H13A 1.12 . ?
B16 B12 1.755(11) . ?
B16 B17 1.853(10) . ?
B16 H16A 1.02(6) . ?
B16 H17E 1.375(10) . ?
B10 B15 1.772(9) . ?
B10 B14 1.775(9) . ?
B10 H10 1.12 . ?
B2 B6 1.767(10) . ?
B2 B3 1.786(10) . ?
B2 H2 1.12 . ?
B17 B12 1.808(11) . ?
B17 H17D 0.97(7) . ?
B17 H17E 1.079(10) . ?
B3 B4 1.748(10) . ?
B3 B6 1.776(11) . ?
B3 B7 1.794(10) . ?
B3 H3 1.12 . ?
B4 B7 1.754(11) . ?
B4 B8 1.770(10) . ?
B4 B5 1.801(11) . ?
B4 B6 1.803(10) . ?
B4 H4 1.12 . ?
B14 B15 1.778(10) . ?
B14 H14 1.12 . ?
B5 B9 1.771(11) . ?
B5 B8 1.782(11) . ?
B5 B6 1.806(11) . ?
B5 H5A 1.12 . ?
B6 H6 1.12 . ?
B7 B8 1.826(10) . ?
B7 H7 1.00(6) . ?
B8 B9 1.837(10) . ?
B8 H8A 1.01(7) . ?
B8 H8B 1.082(10) . ?
B9 H8B 1.375(10) . ?
B9 H9 1.07(6) . ?
B15 B12 1.825(10) . ?
B15 H15 1.12 . ?
B12 H12 1.12 . ?
N1 P1 1.625(5) . ?
N2 P1 1.629(5) . ?
N3 P2 1.622(5) . ?
N4 P2 1.640(5) . ?
N5 P3 1.632(5) . ?
N6 P3 1.623(5) . ?
N7 P4 1.643(5) . ?
N8 P4 1.630(5) . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C2 C1 B7 114.0(5) . . ?
C2 C1 B3 112.1(5) . . ?
B7 C1 B3 64.1(4) . . ?
C2 C1 B2 62.5(4) . . ?
B7 C1 B2 116.4(5) . . ?
B3 C1 B2 61.8(4) . . ?
C2 C1 P1 116.6(4) . . ?
B7 C1 P1 119.6(4) . . ?
B3 C1 P1 119.9(4) . . ?
B2 C1 P1 114.8(4) . . ?
C1 C2 B9 111.6(5) . . ?
C1 C2 B1 111.7(5) . . ?
B9 C2 B1 64.7(4) . . ?
C1 C2 B2 63.3(4) . . ?
B9 C2 B2 116.2(5) . . ?
B1 C2 B2 61.4(4) . . ?
C1 C2 P2 117.5(4) . . ?
B9 C2 P2 121.5(4) . . ?
B1 C2 P2 118.9(4) . . ?
B2 C2 P2 113.1(4) . . ?
N2 C3 C4 106.2(5) . . ?
N2 C3 H3A 110.5 . . ?
C4 C3 H3A 110.5 . . ?
N2 C3 H3B 110.5 . . ?
C4 C3 H3B 110.5 . . ?
H3A C3 H3B 108.7 . . ?
N1 C4 C3 106.6(5) . . ?
N1 C4 H4A 110.4 . . ?
C3 C4 H4A 110.4 . . ?
N1 C4 H4B 110.4 . . ?
C3 C4 H4B 110.4 . . ?
H4A C4 H4B 108.6 . . ?
N1 C5 C7 111.6(8) . . ?
N1 C5 C6 110.7(8) . . ?
C7 C5 C6 112.8(7) . . ?
N1 C5 H5 107.1 . . ?
C7 C5 H5 107.1 . . ?
C6 C5 H5 107.1 . . ?
C5 C6 H6A 109.5 . . ?
C5 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C5 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C5 C7 H7A 109.5 . . ?
C5 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C5 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N2 C8 C10 112.6(6) . . ?
N2 C8 C9 110.0(6) . . ?
C10 C8 C9 111.2(6) . . ?
N2 C8 H8 107.6 . . ?
C10 C8 H8 107.6 . . ?
C9 C8 H8 107.6 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N3 C11 C12 104.9(6) . . ?
N3 C11 H11A 110.8 . . ?
C12 C11 H11A 110.8 . . ?
N3 C11 H11B 110.8 . . ?
C12 C11 H11B 110.8 . . ?
H11A C11 H11B 108.8 . . ?
N4 C12 C11 105.2(6) . . ?
N4 C12 H12A 110.7 . . ?
C11 C12 H12A 110.7 . . ?
N4 C12 H12B 110.7 . . ?
C11 C12 H12B 110.7 . . ?
H12A C12 H12B 108.8 . . ?
N3 C13 C14 112.3(6) . . ?
N3 C13 C15 111.4(6) . . ?
C14 C13 C15 112.2(6) . . ?
N3 C13 H13 106.8 . . ?
C14 C13 H13 106.8 . . ?
C15 C13 H13 106.8 . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C16 C18 112.8(7) . . ?
N4 C16 C17 110.6(7) . . ?
C18 C16 C17 110.5(7) . . ?
N4 C16 H16 107.6 . . ?
C18 C16 H16 107.6 . . ?
C17 C16 H16 107.6 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
O1 C19 C24 119.7(6) . . ?
O1 C19 C20 121.0(6) . . ?
C24 C19 C20 119.3(6) . . ?
C21 C20 C19 119.3(6) . . ?
C21 C20 Br1 124.9(6) . . ?
C19 C20 Br1 115.8(5) . . ?
C20 C21 C22 120.9(6) . . ?
C20 C21 Br2 118.7(5) . . ?
C22 C21 Br2 120.4(5) . . ?
C23 C22 C21 120.2(6) . . ?
C23 C22 Br3 119.7(5) . . ?
C21 C22 Br3 120.1(5) . . ?
C22 C23 C24 121.0(6) . . ?
C22 C23 Br4 122.7(5) . . ?
C24 C23 Br4 116.3(5) . . ?
O2 C24 C23 122.2(6) . . ?
O2 C24 C19 118.6(6) . . ?
C23 C24 C19 119.2(6) . . ?
C26 C25 B18 113.0(5) . . ?
C26 C25 B14 112.1(5) . . ?
B18 C25 B14 64.6(4) . . ?
C26 C25 B10 63.3(4) . . ?
B18 C25 B10 116.4(5) . . ?
B14 C25 B10 61.4(4) . . ?
C26 C25 P3 116.5(4) . . ?
B18 C25 P3 119.3(4) . . ?
B14 C25 P3 121.1(4) . . ?
B10 C25 P3 115.9(4) . . ?
C25 C26 B16 113.4(5) . . ?
C25 C26 B11 111.9(5) . . ?
B16 C26 B11 64.5(4) . . ?
C25 C26 B10 63.2(4) . . ?
B16 C26 B10 116.8(5) . . ?
B11 C26 B10 61.5(4) . . ?
C25 C26 P4 117.2(4) . . ?
B16 C26 P4 120.0(4) . . ?
B11 C26 P4 119.1(4) . . ?
B10 C26 P4 113.4(4) . . ?
N5 C27 C28 108.9(6) . . ?
N5 C27 H27A 109.9 . . ?
C28 C27 H27A 109.9 . . ?
N5 C27 H27B 109.9 . . ?
C28 C27 H27B 109.9 . . ?
H27A C27 H27B 108.3 . . ?
C27 C28 N6 109.7(5) . . ?
C27 C28 H28A 109.7 . . ?
N6 C28 H28A 109.7 . . ?
C27 C28 H28B 109.7 . . ?
N6 C28 H28B 109.7 . . ?
H28A C28 H28B 108.2 . . ?
N5 C29 C31 111.2(6) . . ?
N5 C29 C30 110.4(7) . . ?
C31 C29 C30 112.1(6) . . ?
N5 C29 H29 107.7 . . ?
C31 C29 H29 107.7 . . ?
C30 C29 H29 107.7 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
N6 C32 C33 111.6(6) . . ?
N6 C32 C34 111.2(6) . . ?
C33 C32 C34 111.5(6) . . ?
N6 C32 H32 107.4 . . ?
C33 C32 H32 107.4 . . ?
C34 C32 H32 107.4 . . ?
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 . . ?
C32 C34 H34A 109.5 . . ?
C32 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C32 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N7 C35 C36 104.9(5) . . ?
N7 C35 H35A 110.8 . . ?
C36 C35 H35A 110.8 . . ?
N7 C35 H35B 110.8 . . ?
C36 C35 H35B 110.8 . . ?
H35A C35 H35B 108.8 . . ?
N8 C36 C35 106.6(5) . . ?
N8 C36 H36A 110.4 . . ?
C35 C36 H36A 110.4 . . ?
N8 C36 H36B 110.4 . . ?
C35 C36 H36B 110.4 . . ?
H36A C36 H36B 108.6 . . ?
N7 C37 C39 111.5(6) . . ?
N7 C37 C38 109.7(6) . . ?
C39 C37 C38 113.0(6) . . ?
N7 C37 H37 107.4 . . ?
C39 C37 H37 107.4 . . ?
C38 C37 H37 107.4 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N8 C40 C41 110.9(6) . . ?
N8 C40 C42 111.1(5) . . ?
C41 C40 C42 111.9(6) . . ?
N8 C40 H40 107.5 . . ?
C41 C40 H40 107.5 . . ?
C42 C40 H40 107.5 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
O3 C43 C44 121.4(5) . . ?
O3 C43 C48 118.8(5) . . ?
C44 C43 C48 119.8(5) . . ?
C45 C44 C43 120.5(5) . . ?
C45 C44 Br5 123.0(4) . . ?
C43 C44 Br5 116.6(4) . . ?
C46 C45 C44 120.3(5) . . ?
C46 C45 Br6 120.1(4) . . ?
C44 C45 Br6 119.6(4) . . ?
C45 C46 C47 119.1(5) . . ?
C45 C46 Br7 120.5(4) . . ?
C47 C46 Br7 120.4(4) . . ?
C48 C47 C46 121.5(5) . . ?
C48 C47 Br8 116.2(4) . . ?
C46 C47 Br8 122.3(4) . . ?
O4 C48 C47 121.9(5) . . ?
O4 C48 C43 119.4(5) . . ?
C47 C48 C43 118.7(5) . . ?
O1 Au1 O2 81.93(17) . . ?
O1 Au1 P1 91.48(13) . . ?
O2 Au1 P1 173.30(13) . . ?
O1 Au1 P2 177.89(15) . . ?
O2 Au1 P2 96.53(13) . . ?
P1 Au1 P2 90.03(5) . . ?
O3 Au2 O4 82.24(15) . . ?
O3 Au2 P4 177.37(11) . . ?
O4 Au2 P4 95.15(11) . . ?
O3 Au2 P3 92.58(11) . . ?
O4 Au2 P3 174.27(11) . . ?
P4 Au2 P3 90.04(5) . . ?
C2 B1 B2 59.6(4) . . ?
C2 B1 B6 104.5(5) . . ?
B2 B1 B6 60.2(4) . . ?
C2 B1 B5 101.7(5) . . ?
B2 B1 B5 108.6(5) . . ?
B6 B1 B5 61.3(4) . . ?
C2 B1 B9 55.7(4) . . ?
B2 B1 B9 107.1(5) . . ?
B6 B1 B9 108.3(5) . . ?
B5 B1 B9 59.3(4) . . ?
C2 B1 H1 126.6 . . ?
B2 B1 H1 120.8 . . ?
B6 B1 H1 121.4 . . ?
B5 B1 H1 122.8 . . ?
B9 B1 H1 122.7 . . ?
C26 B11 B12 101.0(5) . . ?
C26 B11 B15 103.9(5) . . ?
B12 B11 B15 62.4(4) . . ?
C26 B11 B10 59.8(3) . . ?
B12 B11 B10 109.3(5) . . ?
B15 B11 B10 59.9(4) . . ?
C26 B11 B16 55.4(4) . . ?
B12 B11 B16 59.2(4) . . ?
B15 B11 B16 109.2(5) . . ?
B10 B11 B16 107.6(5) . . ?
C26 B11 H11 127.3 . . ?
B12 B11 H11 122.5 . . ?
B15 B11 H11 121.1 . . ?
B10 B11 H11 120.5 . . ?
B16 B11 H11 122.4 . . ?
C25 B18 B13 104.6(5) . . ?
C25 B18 B14 60.0(4) . . ?
B13 B18 B14 59.6(4) . . ?
C25 B18 B17 106.0(5) . . ?
B13 B18 B17 60.3(4) . . ?
B14 B18 B17 109.6(5) . . ?
C25 B18 H18 120(3) . . ?
B13 B18 H18 124(3) . . ?
B14 B18 H18 116(3) . . ?
B17 B18 H18 126(3) . . ?
B18 B13 B14 61.6(4) . . ?
B18 B13 B17 62.3(4) . . ?
B14 B13 B17 112.9(5) . . ?
B18 B13 B15 108.9(5) . . ?
B14 B13 B15 59.5(4) . . ?
B17 B13 B15 110.8(5) . . ?
B18 B13 B12 107.3(5) . . ?
B14 B13 B12 107.6(5) . . ?
B17 B13 B12 59.7(4) . . ?
B15 B13 B12 60.1(4) . . ?
B18 B13 H13A 121 . . ?
B14 B13 H13A 120.2 . . ?
B17 B13 H13A 118.6 . . ?
B15 B13 H13A 121.2 . . ?
B12 B13 H13A 123.2 . . ?
C26 B16 B12 104.5(5) . . ?
C26 B16 B11 60.2(4) . . ?
B12 B16 B11 59.1(4) . . ?
C26 B16 B17 105.5(5) . . ?
B12 B16 B17 60.1(4) . . ?
B11 B16 B17 108.6(5) . . ?
C26 B16 H16A 124(3) . . ?
B12 B16 H16A 122(4) . . ?
B11 B16 H16A 119(3) . . ?
B17 B16 H16A 123(3) . . ?
C26 B16 H17E 90(2) . . ?
B12 B16 H17E 94.5(9) . . ?
B11 B16 H17E 128(2) . . ?
B17 B16 H17E 35.3(5) . . ?
H16A B16 H17E 113(4) . . ?
C25 B10 C26 53.6(3) . . ?
C25 B10 B15 103.1(4) . . ?
C26 B10 B15 103.1(4) . . ?
C25 B10 B14 58.8(3) . . ?
C26 B10 B14 102.2(4) . . ?
B15 B10 B14 60.2(4) . . ?
C25 B10 B11 102.0(4) . . ?
C26 B10 B11 58.7(4) . . ?
B15 B10 B11 59.8(4) . . ?
B14 B10 B11 107.8(5) . . ?
C25 B10 H10 126.6 . . ?
C26 B10 H10 126.6 . . ?
B15 B10 H10 123.4 . . ?
B14 B10 H10 122.2 . . ?
B11 B10 H10 122.5 . . ?
C2 B2 C1 54.2(3) . . ?
C2 B2 B1 59.0(4) . . ?
C1 B2 B1 102.5(5) . . ?
C2 B2 B6 103.8(5) . . ?
C1 B2 B6 103.4(5) . . ?
B1 B2 B6 59.9(4) . . ?
C2 B2 B3 103.2(5) . . ?
C1 B2 B3 59.0(4) . . ?
B1 B2 B3 108.1(5) . . ?
B6 B2 B3 60.0(4) . . ?
C2 B2 H2 125.9 . . ?
C1 B2 H2 126.3 . . ?
B1 B2 H2 122.3 . . ?
B6 B2 H2 123.3 . . ?
B3 B2 H2 122 . . ?
B13 B17 B12 60.9(4) . . ?
B13 B17 B18 57.5(4) . . ?
B12 B17 B18 104.5(5) . . ?
B13 B17 B16 104.3(5) . . ?
B12 B17 B16 57.3(4) . . ?
B18 B17 B16 102.1(4) . . ?
B13 B17 H17D 117(4) . . ?
B12 B17 H17D 120(4) . . ?
B18 B17 H17D 124(4) . . ?
B16 B17 H17D 130(4) . . ?
B13 B17 H17E 125(3) . . ?
B12 B17 H17E 103.6(11) . . ?
B18 B17 H17E 81(3) . . ?
B16 B17 H17E 47.4(7) . . ?
H17D B17 H17E 116(5) . . ?
C1 B3 B4 100.6(5) . . ?
C1 B3 B6 103.1(5) . . ?
B4 B3 B6 61.5(4) . . ?
C1 B3 B2 59.2(4) . . ?
B4 B3 B2 108.0(5) . . ?
B6 B3 B2 59.5(4) . . ?
C1 B3 B7 55.4(4) . . ?
B4 B3 B7 59.3(4) . . ?
B6 B3 B7 108.5(5) . . ?
B2 B3 B7 106.9(5) . . ?
C1 B3 H3 127.6 . . ?
B4 B3 H3 123.1 . . ?
B6 B3 H3 121.7 . . ?
B2 B3 H3 121.3 . . ?
B7 B3 H3 122.5 . . ?
B3 B4 B7 61.6(4) . . ?
B3 B4 B8 113.1(5) . . ?
B7 B4 B8 62.4(4) . . ?
B3 B4 B5 108.6(5) . . ?
B7 B4 B5 108.1(5) . . ?
B8 B4 B5 59.9(4) . . ?
B3 B4 B6 60.0(4) . . ?
B7 B4 B6 109.1(5) . . ?
B8 B4 B6 110.5(5) . . ?
B5 B4 B6 60.1(4) . . ?
B3 B4 H4 119.8 . . ?
B7 B4 H4 120.7 . . ?
B8 B4 H4 118.7 . . ?
B5 B4 H4 122.6 . . ?
B6 B4 H4 121.2 . . ?
C25 B14 B13 100.5(5) . . ?
C25 B14 B10 59.8(3) . . ?
B13 B14 B10 108.4(5) . . ?
C25 B14 B15 103.7(5) . . ?
B13 B14 B15 61.5(4) . . ?
B10 B14 B15 59.9(4) . . ?
C25 B14 B18 55.4(3) . . ?
B13 B14 B18 58.8(4) . . ?
B10 B14 B18 107.4(5) . . ?
B15 B14 B18 108.2(5) . . ?
C25 B14 H14 127.2 . . ?
B13 B14 H14 123.3 . . ?
B10 B14 H14 120.6 . . ?
B15 B14 H14 121.6 . . ?
B18 B14 H14 122.7 . . ?
B9 B5 B1 61.0(4) . . ?
B9 B5 B8 62.3(4) . . ?
B1 B5 B8 111.9(5) . . ?
B9 B5 B4 106.6(5) . . ?
B1 B5 B4 106.7(5) . . ?
B8 B5 B4 59.2(4) . . ?
B9 B5 B6 107.7(5) . . ?
B1 B5 B6 58.9(4) . . ?
B8 B5 B6 109.8(5) . . ?
B4 B5 B6 60.0(4) . . ?
B9 B5 H5A 121.5 . . ?
B1 B5 H5A 121 . . ?
B8 B5 H5A 119.1 . . ?
B4 B5 H5A 123.6 . . ?
B6 B5 H5A 121.8 . . ?
B1 B6 B2 59.8(4) . . ?
B1 B6 B3 108.4(5) . . ?
B2 B6 B3 60.5(4) . . ?
B1 B6 B4 107.3(5) . . ?
B2 B6 B4 106.4(5) . . ?
B3 B6 B4 58.5(4) . . ?
B1 B6 B5 59.8(4) . . ?
B2 B6 B5 107.1(5) . . ?
B3 B6 B5 107.1(5) . . ?
B4 B6 B5 59.9(4) . . ?
B1 B6 H6 121.6 . . ?
B2 B6 H6 122.2 . . ?
B3 B6 H6 121.9 . . ?
B4 B6 H6 122.9 . . ?
B5 B6 H6 122.2 . . ?
C1 B7 B4 104.2(5) . . ?
C1 B7 B3 60.5(4) . . ?
B4 B7 B3 59.0(4) . . ?
C1 B7 B8 105.5(5) . . ?
B4 B7 B8 59.2(4) . . ?
B3 B7 B8 108.3(5) . . ?
C1 B7 H7 118(4) . . ?
B4 B7 H7 131(4) . . ?
B3 B7 H7 122(4) . . ?
B8 B7 H7 125(4) . . ?
B4 B8 B5 60.9(4) . . ?
B4 B8 B7 58.4(4) . . ?
B5 B8 B7 105.8(5) . . ?
B4 B8 B9 105.2(5) . . ?
B5 B8 B9 58.6(4) . . ?
B7 B8 B9 102.3(4) . . ?
B4 B8 H8A 124(4) . . ?
B5 B8 H8A 121(4) . . ?
B7 B8 H8A 127(3) . . ?
B9 B8 H8A 122(3) . . ?
B4 B8 H8B 124(3) . . ?
B5 B8 H8B 105.0(12) . . ?
B7 B8 H8B 78(3) . . ?
B9 B8 H8B 48.1(7) . . ?
H8A B8 H8B 110(5) . . ?
C2 B9 B5 104.9(5) . . ?
C2 B9 B1 59.5(4) . . ?
B5 B9 B1 59.7(4) . . ?
C2 B9 B8 106.4(5) . . ?
B5 B9 B8 59.2(4) . . ?
B1 B9 B8 108.3(5) . . ?
C2 B9 H8B 89(2) . . ?
B5 B9 H8B 93.7(10) . . ?
B1 B9 H8B 126(2) . . ?
B8 B9 H8B 35.9(5) . . ?
C2 B9 H9 116(3) . . ?
B5 B9 H9 126(3) . . ?
B1 B9 H9 114(3) . . ?
B8 B9 H9 131(3) . . ?
H8B B9 H9 119(4) . . ?
B11 B15 B10 60.3(4) . . ?
B11 B15 B14 108.1(5) . . ?
B10 B15 B14 60.0(4) . . ?
B11 B15 B13 106.8(5) . . ?
B10 B15 B13 106.5(5) . . ?
B14 B15 B13 59.0(4) . . ?
B11 B15 B12 58.3(4) . . ?
B10 B15 B12 106.4(5) . . ?
B14 B15 B12 107.3(5) . . ?
B13 B15 B12 60.4(4) . . ?
B11 B15 H15 122.1 . . ?
B10 B15 H15 122.4 . . ?
B14 B15 H15 121.8 . . ?
B13 B15 H15 122.5 . . ?
B12 B15 H15 122.6 . . ?
B11 B12 B16 61.7(4) . . ?
B11 B12 B17 112.8(5) . . ?
B16 B12 B17 62.7(4) . . ?
B11 B12 B15 59.3(4) . . ?
B16 B12 B15 108.7(5) . . ?
B17 B12 B15 110.0(5) . . ?
B11 B12 B13 106.9(5) . . ?
B16 B12 B13 107.3(5) . . ?
B17 B12 B13 59.4(4) . . ?
B15 B12 B13 59.5(4) . . ?
B11 B12 H12 120.4 . . ?
B16 B12 H12 120.7 . . ?
B17 B12 H12 118.7 . . ?
B15 B12 H12 121.7 . . ?
B13 B12 H12 123.7 . . ?
C4 N1 C5 120.2(5) . . ?
C4 N1 P1 112.0(4) . . ?
C5 N1 P1 126.4(4) . . ?
C3 N2 C8 121.1(5) . . ?
C3 N2 P1 109.2(4) . . ?
C8 N2 P1 124.9(4) . . ?
C13 N3 C11 120.8(5) . . ?
C13 N3 P2 126.9(4) . . ?
C11 N3 P2 111.0(5) . . ?
C12 N4 C16 121.7(6) . . ?
C12 N4 P2 110.3(4) . . ?
C16 N4 P2 122.4(5) . . ?
C27 N5 C29 121.4(6) . . ?
C27 N5 P3 112.0(5) . . ?
C29 N5 P3 124.4(4) . . ?
C28 N6 C32 120.5(5) . . ?
C28 N6 P3 111.5(4) . . ?
C32 N6 P3 124.2(4) . . ?
C37 N7 C35 122.0(5) . . ?
C37 N7 P4 123.1(4) . . ?
C35 N7 P4 109.9(4) . . ?
C36 N8 C40 120.8(5) . . ?
C36 N8 P4 111.6(4) . . ?
C40 N8 P4 126.4(4) . . ?
C19 O1 Au1 109.9(4) . . ?
C24 O2 Au1 109.9(4) . . ?
C43 O3 Au2 109.7(3) . . ?
C48 O4 Au2 109.6(3) . . ?
N1 P1 N2 96.1(3) . . ?
N1 P1 C1 116.7(3) . . ?
N2 P1 C1 111.1(3) . . ?
N1 P1 Au1 111.3(2) . . ?
N2 P1 Au1 113.1(2) . . ?
C1 P1 Au1 108.28(19) . . ?
N3 P2 N4 96.4(3) . . ?
N3 P2 C2 117.6(3) . . ?
N4 P2 C2 108.5(3) . . ?
N3 P2 Au1 110.79(19) . . ?
N4 P2 Au1 116.1(2) . . ?
C2 P2 Au1 107.48(19) . . ?
N6 P3 N5 96.5(3) . . ?
N6 P3 C25 118.2(3) . . ?
N5 P3 C25 110.8(3) . . ?
N6 P3 Au2 111.18(18) . . ?
N5 P3 Au2 111.3(2) . . ?
C25 P3 Au2 108.41(18) . . ?
N8 P4 N7 96.1(3) . . ?
N8 P4 C26 118.9(3) . . ?
N7 P4 C26 108.4(3) . . ?
N8 P4 Au2 110.11(18) . . ?
N7 P4 Au2 115.6(2) . . ?
C26 P4 Au2 107.72(18) . . ?


# start Validation Reply Form
_vrf_PLAT910_3b                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).
RESPONSE:  Theta min = 2.38 deg. The theta value of missing reflections 
is below 2.32 deg. These reflections are therefore excluded.
;
####################################################################### 
# 
# 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_5a
_database_code_depnum_ccdc_archive 'CCDC 2180465'
loop_
_audit_author_name
_audit_author_address
'Sonia Ladeira'
;institut de chimie de Toulouse
France
;
_audit_update_record             
;
2022-06-20 deposited with the CCDC.	2022-08-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2017/1
_shelx_SHELXL_version_number     2017/1
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C34 H40 Au Cl4 N O2 P, F6 Sb, 0.5 (C H2 Cl2)'
_chemical_formula_sum            'C34.50 H41 Au Cl5 F6 N O2 P Sb'
_chemical_formula_weight         1142.62

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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'

_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                   34.1585(18)
_cell_length_b                   9.9683(6)
_cell_length_c                   22.6313(13)
_cell_angle_alpha                90
_cell_angle_beta                 95.446(2)
_cell_angle_gamma                90
_cell_volume                     7671.2(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9754
_cell_measurement_theta_min      2.92
_cell_measurement_theta_max      28.33

_exptl_crystal_description       block
_exptl_crystal_colour            grey
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.979
_exptl_crystal_F_000             4440
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.200
_exptl_absorpt_coefficient_mu    4.978
_shelx_estimated_absorpt_T_min   0.369
_shelx_estimated_absorpt_T_max   0.436
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6369
_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 CMOS detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            113874
_diffrn_reflns_av_unetI/netI     0.0181
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_limit_h_min       -40
_diffrn_reflns_limit_h_max       45
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.921
_diffrn_reflns_theta_max         28.347
_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             9564
_reflns_number_gt                8558
_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-2017/1 (Sheldrick, 2017)'
_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)+(0.0144P)²+18.4739P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         9564
_refine_ls_number_parameters     467
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0275
_refine_ls_R_factor_gt           0.0211
_refine_ls_wR_factor_ref         0.0414
_refine_ls_wR_factor_gt          0.0398
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_refine_ls_shift/su_max          0.005
_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 0.38535(2) 0.55811(2) 0.61960(2) 0.01555(3) Uani 1 1 d . . . . .
Cl1 Cl 0.50899(2) 0.75482(7) 0.57100(3) 0.02956(14) Uani 1 1 d . . . . .
Cl2 Cl 0.57467(2) 0.53432(8) 0.56055(3) 0.03903(18) Uani 1 1 d . . . . .
Cl3 Cl 0.55274(2) 0.23126(8) 0.57307(3) 0.04114(18) Uani 1 1 d . . . . .
Cl4 Cl 0.46659(2) 0.15082(7) 0.59523(4) 0.04124(18) Uani 1 1 d . . . . .
P1 P 0.35376(2) 0.75393(6) 0.63624(2) 0.01227(11) Uani 1 1 d . . . . .
O1 O 0.43401(5) 0.64476(16) 0.59931(8) 0.0217(4) Uani 1 1 d . . . . .
O2 O 0.41432(5) 0.38382(17) 0.60740(8) 0.0239(4) Uani 1 1 d . . . . .
N1 N 0.33544(6) 0.45853(19) 0.64040(9) 0.0201(4) Uani 1 1 d . . . . .
C1 C 0.30841(6) 0.6857(2) 0.65880(9) 0.0142(4) Uani 1 1 d . . . . .
C2 C 0.30372(6) 0.5472(2) 0.65833(10) 0.0162(4) Uani 1 1 d . . . . .
C3 C 0.26940(7) 0.4888(3) 0.67406(11) 0.0209(5) Uani 1 1 d . . . . .
H3 H 0.266574 0.393944 0.673931 0.025 Uiso 1 1 calc R U . . .
C4 C 0.23932(7) 0.5700(3) 0.68993(10) 0.0212(5) Uani 1 1 d . . . . .
H4 H 0.215741 0.530509 0.700848 0.025 Uiso 1 1 calc R U . . .
C5 C 0.24318(7) 0.7078(3) 0.69010(10) 0.0204(5) Uani 1 1 d . . . . .
H5 H 0.222191 0.762726 0.700604 0.024 Uiso 1 1 calc R U . . .
C6 C 0.27763(6) 0.7661(2) 0.67496(10) 0.0172(5) Uani 1 1 d . . . . .
H6 H 0.280372 0.860907 0.675558 0.021 Uiso 1 1 calc R U . . .
C7 C 0.34809(8) 0.3639(3) 0.69056(15) 0.0374(7) Uani 1 1 d . . . . .
H7A H 0.356054 0.415703 0.726518 0.056 Uiso 1 1 calc R U . . .
H7B H 0.370307 0.309757 0.679938 0.056 Uiso 1 1 calc R U . . .
H7C H 0.326119 0.304880 0.697848 0.056 Uiso 1 1 calc R U . . .
C8 C 0.32098(8) 0.3798(3) 0.58592(14) 0.0355(7) Uani 1 1 d . . . . .
H8A H 0.299295 0.321266 0.595070 0.053 Uiso 1 1 calc R U . . .
H8B H 0.342495 0.325005 0.573250 0.053 Uiso 1 1 calc R U . . .
H8C H 0.311724 0.441697 0.553981 0.053 Uiso 1 1 calc R U . . .
C9 C 0.38069(6) 0.8414(2) 0.70027(10) 0.0155(4) Uani 1 1 d . . . . .
C10 C 0.41831(7) 0.9066(2) 0.68070(10) 0.0178(5) Uani 1 1 d . . . . .
H10A H 0.434251 0.838191 0.662186 0.021 Uiso 1 1 calc R U . . .
H10B H 0.411197 0.977439 0.650952 0.021 Uiso 1 1 calc R U . . .
C11 C 0.44229(7) 0.9677(3) 0.73489(11) 0.0233(5) Uani 1 1 d . . . . .
H11 H 0.466915 1.008278 0.722173 0.028 Uiso 1 1 calc R U . . .
C12 C 0.41794(8) 1.0764(3) 0.76120(12) 0.0298(6) Uani 1 1 d . . . . .
H12A H 0.410946 1.146569 0.731071 0.036 Uiso 1 1 calc R U . . .
H12B H 0.433429 1.118828 0.795406 0.036 Uiso 1 1 calc R U . . .
C13 C 0.38052(8) 1.0142(3) 0.78144(12) 0.0309(6) Uani 1 1 d . . . . .
H13 H 0.364669 1.085704 0.799032 0.037 Uiso 1 1 calc R U . . .
C14 C 0.39151(9) 0.9065(3) 0.82833(12) 0.0376(7) Uani 1 1 d . . . . .
H14A H 0.406978 0.947164 0.862992 0.045 Uiso 1 1 calc R U . . .
H14B H 0.367359 0.866954 0.842002 0.045 Uiso 1 1 calc R U . . .
C15 C 0.41558(8) 0.7979(3) 0.80158(11) 0.0300(6) Uani 1 1 d . . . . .
H15 H 0.422741 0.727512 0.832212 0.036 Uiso 1 1 calc R U . . .
C16 C 0.39156(7) 0.7332(3) 0.74802(10) 0.0229(5) Uani 1 1 d . . . . .
H16A H 0.367312 0.692601 0.760857 0.027 Uiso 1 1 calc R U . . .
H16B H 0.407176 0.661412 0.731232 0.027 Uiso 1 1 calc R U . . .
C17 C 0.35571(7) 0.9494(3) 0.72818(11) 0.0243(5) Uani 1 1 d . . . . .
H17A H 0.331788 0.907976 0.741738 0.029 Uiso 1 1 calc R U . . .
H17B H 0.347455 1.018859 0.698277 0.029 Uiso 1 1 calc R U . . .
C18 C 0.45308(8) 0.8582(3) 0.78112(12) 0.0307(6) Uani 1 1 d . . . . .
H18A H 0.468641 0.787247 0.763573 0.037 Uiso 1 1 calc R U . . .
H18B H 0.469289 0.897002 0.815500 0.037 Uiso 1 1 calc R U . . .
C19 C 0.34316(6) 0.8480(2) 0.56563(9) 0.0129(4) Uani 1 1 d . . . . .
C20 C 0.31417(7) 0.7613(2) 0.52521(10) 0.0196(5) Uani 1 1 d . . . . .
H20A H 0.326180 0.673003 0.518285 0.023 Uiso 1 1 calc R U . . .
H20B H 0.289835 0.746112 0.544793 0.023 Uiso 1 1 calc R U . . .
C21 C 0.30419(7) 0.8336(3) 0.46561(10) 0.0232(5) Uani 1 1 d . . . . .
H21 H 0.285375 0.777805 0.439487 0.028 Uiso 1 1 calc R U . . .
C22 C 0.34179(8) 0.8557(3) 0.43519(10) 0.0256(6) Uani 1 1 d . . . . .
H22A H 0.354049 0.768210 0.427566 0.031 Uiso 1 1 calc R U . . .
H22B H 0.335399 0.901382 0.396625 0.031 Uiso 1 1 calc R U . . .
C23 C 0.37040(7) 0.9415(3) 0.47502(10) 0.0219(5) Uani 1 1 d . . . . .
H23 H 0.394899 0.955879 0.454920 0.026 Uiso 1 1 calc R U . . .
C24 C 0.35168(7) 1.0774(2) 0.48606(11) 0.0228(5) Uani 1 1 d . . . . .
H24A H 0.345475 1.124941 0.447904 0.027 Uiso 1 1 calc R U . . .
H24B H 0.370267 1.133358 0.511674 0.027 Uiso 1 1 calc R U . . .
C25 C 0.31399(7) 1.0553(2) 0.51629(10) 0.0204(5) Uani 1 1 d . . . . .
H25 H 0.301557 1.144038 0.523109 0.024 Uiso 1 1 calc R U . . .
C26 C 0.32435(7) 0.9856(2) 0.57631(9) 0.0164(4) Uani 1 1 d . . . . .
H26A H 0.300284 0.973282 0.596868 0.020 Uiso 1 1 calc R U . . .
H26B H 0.342980 1.041802 0.601740 0.020 Uiso 1 1 calc R U . . .
C27 C 0.28529(7) 0.9692(3) 0.47707(11) 0.0228(5) Uani 1 1 d . . . . .
H27A H 0.278138 1.015578 0.438882 0.027 Uiso 1 1 calc R U . . .
H27B H 0.260970 0.955187 0.496835 0.027 Uiso 1 1 calc R U . . .
C28 C 0.38092(7) 0.8680(2) 0.53419(10) 0.0192(5) Uani 1 1 d . . . . .
H28A H 0.400239 0.921297 0.559734 0.023 Uiso 1 1 calc R U . . .
H28B H 0.392856 0.779809 0.526716 0.023 Uiso 1 1 calc R U . . .
C29 C 0.46160(7) 0.5493(2) 0.59150(10) 0.0186(5) Uani 1 1 d . . . . .
C30 C 0.49908(7) 0.5868(3) 0.57874(10) 0.0201(5) Uani 1 1 d . . . . .
C31 C 0.52745(7) 0.4880(3) 0.57275(10) 0.0248(5) Uani 1 1 d . . . . .
C32 C 0.51756(7) 0.3537(3) 0.57810(11) 0.0261(6) Uani 1 1 d . . . . .
C33 C 0.47965(7) 0.3171(3) 0.58900(11) 0.0241(5) Uani 1 1 d . . . . .
C34 C 0.45134(7) 0.4146(2) 0.59603(11) 0.0202(5) Uani 1 1 d . . . . .
Sb1 Sb 0.29030(2) 0.61442(2) 0.87024(2) 0.02211(4) Uani 1 1 d . . . . .
F1 F 0.23940(5) 0.61083(19) 0.83014(7) 0.0398(4) Uani 1 1 d . . . . .
F2 F 0.29997(5) 0.77252(18) 0.82966(10) 0.0561(6) Uani 1 1 d . . . . .
F3 F 0.26940(5) 0.71471(19) 0.92943(9) 0.0493(5) Uani 1 1 d . . . . .
F4 F 0.33992(5) 0.6215(2) 0.91111(10) 0.0579(6) Uani 1 1 d . . . . .
F5 F 0.27893(6) 0.45664(16) 0.90945(8) 0.0444(4) Uani 1 1 d . . . . .
F6 F 0.30938(6) 0.5144(2) 0.80946(9) 0.0533(5) Uani 1 1 d . . . . .
C35 C 0.500000 0.3457(5) 0.750000 0.0599(15) Uani 1 2 d S T P . .
H35A H 0.492609 0.287101 0.715413 0.072 Uiso 0.5 1 calc R U P . .
H35B H 0.507391 0.287106 0.784589 0.072 Uiso 0.5 1 calc R U P . .
Cl5 Cl 0.45930(4) 0.44127(13) 0.76442(6) 0.0840(4) Uani 1 1 d . . . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 O1 1.9659(16) . ?
Au1 O2 2.0314(16) . ?
Au1 N1 2.0652(19) . ?
Au1 P1 2.2788(6) . ?
Cl1 C30 1.721(3) . ?
Cl2 C31 1.725(2) . ?
Cl3 C32 1.724(2) . ?
Cl4 C33 1.726(3) . ?
P1 C1 1.809(2) . ?
P1 C9 1.858(2) . ?
P1 C19 1.859(2) . ?
O1 C29 1.363(3) . ?
O2 C34 1.350(3) . ?
N1 C2 1.484(3) . ?
N1 C8 1.505(3) . ?
N1 C7 1.507(3) . ?
C1 C2 1.390(3) . ?
C1 C6 1.398(3) . ?
C2 C3 1.385(3) . ?
C3 C4 1.382(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.380(4) . ?
C4 H4 0.9500 . ?
C5 C6 1.384(3) . ?
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 1.542(3) . ?
C9 C17 1.546(3) . ?
C9 C16 1.547(3) . ?
C10 C11 1.535(3) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.522(4) . ?
C11 C18 1.533(4) . ?
C11 H11 1.0000 . ?
C12 C13 1.529(4) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.531(4) . ?
C13 C17 1.548(3) . ?
C13 H13 1.0000 . ?
C14 C15 1.520(4) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C18 1.526(4) . ?
C15 C16 1.539(3) . ?
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 C28 1.544(3) . ?
C19 C26 1.544(3) . ?
C19 C20 1.547(3) . ?
C20 C21 1.539(3) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.530(4) . ?
C21 C27 1.530(3) . ?
C21 H21 1.0000 . ?
C22 C23 1.527(4) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.529(3) . ?
C23 C28 1.539(3) . ?
C23 H23 1.0000 . ?
C24 C25 1.530(3) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C27 1.523(3) . ?
C25 C26 1.537(3) . ?
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 1.390(3) . ?
C29 C34 1.394(3) . ?
C30 C31 1.397(3) . ?
C31 C32 1.390(4) . ?
C32 C33 1.390(4) . ?
C33 C34 1.391(3) . ?
Sb1 F4 1.8535(17) . ?
Sb1 F5 1.8648(16) . ?
Sb1 F6 1.8659(18) . ?
Sb1 F3 1.8668(17) . ?
Sb1 F2 1.8692(17) . ?
Sb1 F1 1.8838(16) . ?
C35 Cl5 1.742(3) . ?
C35 Cl5 1.742(3) 2_656 ?
C35 H35A 0.9900 . ?
C35 H35B 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
O1 Au1 O2 84.86(7) . . ?
O1 Au1 N1 177.33(7) . . ?
O2 Au1 N1 92.48(7) . . ?
O1 Au1 P1 94.95(5) . . ?
O2 Au1 P1 178.22(5) . . ?
N1 Au1 P1 87.71(5) . . ?
C1 P1 C9 109.29(10) . . ?
C1 P1 C19 109.28(10) . . ?
C9 P1 C19 118.37(10) . . ?
C1 P1 Au1 98.97(7) . . ?
C9 P1 Au1 108.89(7) . . ?
C19 P1 Au1 110.28(7) . . ?
C29 O1 Au1 109.51(14) . . ?
C34 O2 Au1 107.99(14) . . ?
C2 N1 C8 110.07(19) . . ?
C2 N1 C7 109.33(19) . . ?
C8 N1 C7 109.8(2) . . ?
C2 N1 Au1 114.58(14) . . ?
C8 N1 Au1 106.14(15) . . ?
C7 N1 Au1 106.77(15) . . ?
C2 C1 C6 118.8(2) . . ?
C2 C1 P1 118.21(16) . . ?
C6 C1 P1 122.92(17) . . ?
C3 C2 C1 121.0(2) . . ?
C3 C2 N1 118.5(2) . . ?
C1 C2 N1 120.45(19) . . ?
C4 C3 C2 119.2(2) . . ?
C4 C3 H3 120.4 . . ?
C2 C3 H3 120.4 . . ?
C5 C4 C3 120.7(2) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 120.0(2) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 120.2(2) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
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 C17 109.37(19) . . ?
C10 C9 C16 110.07(18) . . ?
C17 C9 C16 107.77(19) . . ?
C10 C9 P1 109.77(15) . . ?
C17 C9 P1 113.20(15) . . ?
C16 C9 P1 106.59(16) . . ?
C11 C10 C9 109.50(18) . . ?
C11 C10 H10A 109.8 . . ?
C9 C10 H10A 109.8 . . ?
C11 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 C18 110.2(2) . . ?
C12 C11 C10 109.0(2) . . ?
C18 C11 C10 109.8(2) . . ?
C12 C11 H11 109.3 . . ?
C18 C11 H11 109.3 . . ?
C10 C11 H11 109.3 . . ?
C11 C12 C13 109.4(2) . . ?
C11 C12 H12A 109.8 . . ?
C13 C12 H12A 109.8 . . ?
C11 C12 H12B 109.8 . . ?
C13 C12 H12B 109.8 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 C14 109.6(2) . . ?
C12 C13 C17 110.3(2) . . ?
C14 C13 C17 109.1(2) . . ?
C12 C13 H13 109.3 . . ?
C14 C13 H13 109.3 . . ?
C17 C13 H13 109.3 . . ?
C15 C14 C13 109.3(2) . . ?
C15 C14 H14A 109.8 . . ?
C13 C14 H14A 109.8 . . ?
C15 C14 H14B 109.8 . . ?
C13 C14 H14B 109.8 . . ?
H14A C14 H14B 108.3 . . ?
C14 C15 C18 110.0(2) . . ?
C14 C15 C16 110.1(2) . . ?
C18 C15 C16 109.0(2) . . ?
C14 C15 H15 109.2 . . ?
C18 C15 H15 109.2 . . ?
C16 C15 H15 109.2 . . ?
C15 C16 C9 109.5(2) . . ?
C15 C16 H16A 109.8 . . ?
C9 C16 H16A 109.8 . . ?
C15 C16 H16B 109.8 . . ?
C9 C16 H16B 109.8 . . ?
H16A C16 H16B 108.2 . . ?
C9 C17 C13 109.0(2) . . ?
C9 C17 H17A 109.9 . . ?
C13 C17 H17A 109.9 . . ?
C9 C17 H17B 109.9 . . ?
C13 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
C15 C18 C11 109.5(2) . . ?
C15 C18 H18A 109.8 . . ?
C11 C18 H18A 109.8 . . ?
C15 C18 H18B 109.8 . . ?
C11 C18 H18B 109.8 . . ?
H18A C18 H18B 108.2 . . ?
C28 C19 C26 109.62(18) . . ?
C28 C19 C20 108.40(18) . . ?
C26 C19 C20 109.66(18) . . ?
C28 C19 P1 111.00(15) . . ?
C26 C19 P1 111.32(14) . . ?
C20 C19 P1 106.76(15) . . ?
C21 C20 C19 109.44(19) . . ?
C21 C20 H20A 109.8 . . ?
C19 C20 H20A 109.8 . . ?
C21 C20 H20B 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.2 . . ?
C22 C21 C27 109.6(2) . . ?
C22 C21 C20 109.7(2) . . ?
C27 C21 C20 109.09(19) . . ?
C22 C21 H21 109.5 . . ?
C27 C21 H21 109.5 . . ?
C20 C21 H21 109.5 . . ?
C23 C22 C21 109.43(19) . . ?
C23 C22 H22A 109.8 . . ?
C21 C22 H22A 109.8 . . ?
C23 C22 H22B 109.8 . . ?
C21 C22 H22B 109.8 . . ?
H22A C22 H22B 108.2 . . ?
C22 C23 C24 109.8(2) . . ?
C22 C23 C28 109.3(2) . . ?
C24 C23 C28 110.28(19) . . ?
C22 C23 H23 109.2 . . ?
C24 C23 H23 109.2 . . ?
C28 C23 H23 109.2 . . ?
C23 C24 C25 109.1(2) . . ?
C23 C24 H24A 109.9 . . ?
C25 C24 H24A 109.9 . . ?
C23 C24 H24B 109.9 . . ?
C25 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
C27 C25 C24 110.1(2) . . ?
C27 C25 C26 110.0(2) . . ?
C24 C25 C26 109.13(19) . . ?
C27 C25 H25 109.2 . . ?
C24 C25 H25 109.2 . . ?
C26 C25 H25 109.2 . . ?
C25 C26 C19 109.11(17) . . ?
C25 C26 H26A 109.9 . . ?
C19 C26 H26A 109.9 . . ?
C25 C26 H26B 109.9 . . ?
C19 C26 H26B 109.9 . . ?
H26A C26 H26B 108.3 . . ?
C25 C27 C21 109.72(19) . . ?
C25 C27 H27A 109.7 . . ?
C21 C27 H27A 109.7 . . ?
C25 C27 H27B 109.7 . . ?
C21 C27 H27B 109.7 . . ?
H27A C27 H27B 108.2 . . ?
C23 C28 C19 109.04(18) . . ?
C23 C28 H28A 109.9 . . ?
C19 C28 H28A 109.9 . . ?
C23 C28 H28B 109.9 . . ?
C19 C28 H28B 109.9 . . ?
H28A C28 H28B 108.3 . . ?
O1 C29 C30 120.1(2) . . ?
O1 C29 C34 118.8(2) . . ?
C30 C29 C34 121.1(2) . . ?
C29 C30 C31 119.5(2) . . ?
C29 C30 Cl1 118.47(19) . . ?
C31 C30 Cl1 122.07(19) . . ?
C32 C31 C30 119.6(2) . . ?
C32 C31 Cl2 120.72(19) . . ?
C30 C31 Cl2 119.7(2) . . ?
C31 C32 C33 120.5(2) . . ?
C31 C32 Cl3 120.0(2) . . ?
C33 C32 Cl3 119.5(2) . . ?
C32 C33 C34 120.4(2) . . ?
C32 C33 Cl4 121.27(19) . . ?
C34 C33 Cl4 118.3(2) . . ?
O2 C34 C33 122.5(2) . . ?
O2 C34 C29 118.7(2) . . ?
C33 C34 C29 118.8(2) . . ?
F4 Sb1 F5 90.95(9) . . ?
F4 Sb1 F6 91.23(9) . . ?
F5 Sb1 F6 90.18(9) . . ?
F4 Sb1 F3 90.89(9) . . ?
F5 Sb1 F3 89.95(9) . . ?
F6 Sb1 F3 177.88(9) . . ?
F4 Sb1 F2 90.98(9) . . ?
F5 Sb1 F2 178.06(9) . . ?
F6 Sb1 F2 89.89(10) . . ?
F3 Sb1 F2 89.91(9) . . ?
F4 Sb1 F1 178.41(9) . . ?
F5 Sb1 F1 89.36(8) . . ?
F6 Sb1 F1 90.33(9) . . ?
F3 Sb1 F1 87.56(8) . . ?
F2 Sb1 F1 88.70(8) . . ?
Cl5 C35 Cl5 113.7(3) . 2_656 ?
Cl5 C35 H35A 108.8 . . ?
Cl5 C35 H35A 108.8 2_656 . ?
Cl5 C35 H35B 108.8 . . ?
Cl5 C35 H35B 108.8 2_656 . ?
H35A C35 H35B 107.7 . . ?

_refine_diff_density_max         0.668
_refine_diff_density_min         -0.823
_refine_diff_density_rms         0.090


# start Validation Reply Form
_vrf_PLAT910_5a                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).
RESPONSE:  Theta min = 2.92 deg. The theta value of missing reflections 
is below 2.86 deg. These reflections are therefore excluded.
;
####################################################################### 
# 
# 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_5b
_database_code_depnum_ccdc_archive 'CCDC 2180466'
loop_
_audit_author_name
_audit_author_address
'Sonia Ladeira'
;institut de chimie de Toulouse
France
;
_audit_update_record             
;
2022-06-20 deposited with the CCDC.	2022-08-25 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         'C34 H40 Au Br4 N O2 P, F6 Sb, 0.5(C H2 Cl2)'
_chemical_formula_sum            'C34.50 H41 Au Br4 Cl F6 N O2 P Sb'
_chemical_formula_weight         1320.46

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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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                   34.5469(17)
_cell_length_b                   10.0066(6)
_cell_length_c                   22.7409(13)
_cell_angle_alpha                90
_cell_angle_beta                 95.0516(19)
_cell_angle_gamma                90
_cell_volume                     7830.9(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9521
_cell_measurement_theta_min      2.90
_cell_measurement_theta_max      28.32

_exptl_crystal_description       needle
_exptl_crystal_colour            grey
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    2.240
_exptl_crystal_F_000             5016
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_exptl_absorpt_coefficient_mu    8.686
_shelx_estimated_absorpt_T_min   0.251
_shelx_estimated_absorpt_T_max   0.723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5071
_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 CMOS detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            116299
_diffrn_reflns_av_unetI/netI     0.0208
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_limit_h_min       -41
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_theta_min         2.896
_diffrn_reflns_theta_max         28.355
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             9776
_reflns_number_gt                8437
_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)+(0.0173P)²+35.8579P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     dual
_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         9776
_refine_ls_number_parameters     480
_refine_ls_number_restraints     16
_refine_ls_R_factor_all          0.0337
_refine_ls_R_factor_gt           0.0242
_refine_ls_wR_factor_ref         0.0505
_refine_ls_wR_factor_gt          0.0476
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.38419(2) 0.43806(2) 0.61656(2) 0.01788(3) Uani 1 1 d . . . . .
Br1 Br 0.50667(2) 0.21836(4) 0.57243(2) 0.03045(8) Uani 1 1 d . . . . .
Br2 Br 0.57742(2) 0.44611(4) 0.56352(2) 0.03814(9) Uani 1 1 d . . . . .
Br3 Br 0.55543(2) 0.76595(4) 0.57587(2) 0.03976(10) Uani 1 1 d . . . . .
Br4 Br 0.46418(2) 0.85302(4) 0.59198(2) 0.04195(10) Uani 1 1 d . . . . .
P1 P 0.35246(2) 0.24460(7) 0.63426(3) 0.01384(14) Uani 1 1 d . . . . .
N1 N 0.33514(8) 0.5392(2) 0.63764(13) 0.0230(6) Uani 1 1 d . . . . .
O1 O 0.43254(6) 0.3504(2) 0.59690(10) 0.0231(5) Uani 1 1 d . . . . .
O2 O 0.41355(6) 0.6101(2) 0.60350(11) 0.0274(5) Uani 1 1 d . . . . .
C1 C 0.30790(8) 0.3144(3) 0.65716(13) 0.0163(6) Uani 1 1 d . . . . .
C2 C 0.30366(8) 0.4525(3) 0.65652(13) 0.0183(6) Uani 1 1 d . . . . .
C3 C 0.27003(9) 0.5118(3) 0.67262(14) 0.0223(6) Uani 1 1 d . . . . .
H3 H 0.267438 0.606277 0.672170 0.027 Uiso 1 1 calc R U . . .
C4 C 0.24015(9) 0.4319(3) 0.68941(14) 0.0236(7) Uani 1 1 d . . . . .
H4 H 0.216999 0.472136 0.700630 0.028 Uiso 1 1 calc R U . . .
C5 C 0.24369(9) 0.2948(3) 0.68999(13) 0.0218(6) Uani 1 1 d . . . . .
H5 H 0.222958 0.241043 0.701408 0.026 Uiso 1 1 calc R U . . .
C6 C 0.27730(8) 0.2352(3) 0.67403(13) 0.0188(6) Uani 1 1 d . . . . .
H6 H 0.279658 0.140585 0.674483 0.023 Uiso 1 1 calc R U . . .
C7 C 0.32085(11) 0.6176(4) 0.58349(19) 0.0391(10) Uani 1 1 d . . . . .
H7A H 0.311326 0.555781 0.552046 0.059 Uiso 1 1 calc R U . . .
H7B H 0.342227 0.670936 0.570255 0.059 Uiso 1 1 calc R U . . .
H7C H 0.299706 0.676916 0.592940 0.059 Uiso 1 1 calc R U . . .
C8 C 0.34817(11) 0.6343(4) 0.6869(2) 0.0428(11) Uani 1 1 d . . . . .
H8A H 0.326453 0.692305 0.695236 0.064 Uiso 1 1 calc R U . . .
H8B H 0.369687 0.689103 0.675136 0.064 Uiso 1 1 calc R U . . .
H8C H 0.356835 0.583264 0.722458 0.064 Uiso 1 1 calc R U . . .
C9 C 0.34151(8) 0.1505(3) 0.56443(12) 0.0156(6) Uani 1 1 d . . . . .
C10 C 0.37873(8) 0.1295(3) 0.53257(13) 0.0196(6) Uani 1 1 d . . . . .
H10A H 0.390683 0.217036 0.524904 0.023 Uiso 1 1 calc R U . . .
H10B H 0.397763 0.076038 0.557730 0.023 Uiso 1 1 calc R U . . .
C11 C 0.36804(9) 0.0562(3) 0.47377(14) 0.0240(7) Uani 1 1 d . . . . .
H11 H 0.392178 0.041705 0.453356 0.029 Uiso 1 1 calc R U . . .
C12 C 0.34970(10) -0.0786(3) 0.48500(14) 0.0257(7) Uani 1 1 d . . . . .
H12A H 0.368164 -0.134316 0.510119 0.031 Uiso 1 1 calc R U . . .
H12B H 0.343429 -0.125814 0.447106 0.031 Uiso 1 1 calc R U . . .
C13 C 0.31243(9) -0.0564(3) 0.51599(13) 0.0214(6) Uani 1 1 d . . . . .
H13 H 0.300128 -0.144769 0.523009 0.026 Uiso 1 1 calc R U . . .
C14 C 0.28400(9) 0.0297(3) 0.47723(14) 0.0240(7) Uani 1 1 d . . . . .
H14A H 0.276829 -0.016529 0.439348 0.029 Uiso 1 1 calc R U . . .
H14B H 0.260022 0.043949 0.497260 0.029 Uiso 1 1 calc R U . . .
C15 C 0.30268(9) 0.1641(3) 0.46552(13) 0.0237(7) Uani 1 1 d . . . . .
H15 H 0.284061 0.219667 0.439723 0.028 Uiso 1 1 calc R U . . .
C16 C 0.31273(9) 0.2369(3) 0.52446(13) 0.0207(6) Uani 1 1 d . . . . .
H16A H 0.288769 0.252551 0.544344 0.025 Uiso 1 1 calc R U . . .
H16B H 0.324641 0.324694 0.517150 0.025 Uiso 1 1 calc R U . . .
C17 C 0.33985(10) 0.1420(3) 0.43458(14) 0.0253(7) Uani 1 1 d . . . . .
H17A H 0.333458 0.096870 0.396221 0.030 Uiso 1 1 calc R U . . .
H17B H 0.352026 0.229192 0.426958 0.030 Uiso 1 1 calc R U . . .
C18 C 0.32289(9) 0.0132(3) 0.57549(13) 0.0188(6) Uani 1 1 d . . . . .
H18A H 0.341362 -0.042782 0.600495 0.023 Uiso 1 1 calc R U . . .
H18B H 0.299198 0.025610 0.596390 0.023 Uiso 1 1 calc R U . . .
C19 C 0.37902(8) 0.1576(3) 0.69785(12) 0.0170(6) Uani 1 1 d . . . . .
C20 C 0.39131(10) 0.2661(4) 0.74405(14) 0.0263(7) Uani 1 1 d . . . . .
H20A H 0.407125 0.335102 0.726151 0.032 Uiso 1 1 calc R U . . .
H20B H 0.367960 0.309850 0.757554 0.032 Uiso 1 1 calc R U . . .
C21 C 0.41518(11) 0.2009(4) 0.79696(15) 0.0326(8) Uani 1 1 d . . . . .
H21 H 0.423205 0.271269 0.826783 0.039 Uiso 1 1 calc R U . . .
C22 C 0.45146(10) 0.1371(4) 0.77515(16) 0.0344(9) Uani 1 1 d . . . . .
H22A H 0.466895 0.205647 0.756253 0.041 Uiso 1 1 calc R U . . .
H22B H 0.467816 0.098492 0.808869 0.041 Uiso 1 1 calc R U . . .
C23 C 0.43910(10) 0.0276(4) 0.73071(14) 0.0284(8) Uani 1 1 d . . . . .
H23 H 0.462853 -0.015838 0.717258 0.034 Uiso 1 1 calc R U . . .
C24 C 0.41489(11) -0.0774(4) 0.75873(16) 0.0345(8) Uani 1 1 d . . . . .
H24A H 0.430335 -0.119165 0.792603 0.041 Uiso 1 1 calc R U . . .
H24B H 0.407195 -0.148193 0.729594 0.041 Uiso 1 1 calc R U . . .
C25 C 0.37858(11) -0.0113(4) 0.77978(16) 0.0349(9) Uani 1 1 d . . . . .
H25 H 0.362625 -0.080110 0.798456 0.042 Uiso 1 1 calc R U . . .
C26 C 0.35402(10) 0.0537(4) 0.72742(15) 0.0280(7) Uani 1 1 d . . . . .
H26A H 0.344926 -0.015700 0.698400 0.034 Uiso 1 1 calc R U . . .
H26B H 0.330953 0.097844 0.741644 0.034 Uiso 1 1 calc R U . . .
C27 C 0.41543(9) 0.0887(3) 0.67719(13) 0.0212(6) Uani 1 1 d . . . . .
H27A H 0.407560 0.017798 0.648194 0.025 Uiso 1 1 calc R U . . .
H27B H 0.431459 0.154710 0.657834 0.025 Uiso 1 1 calc R U . . .
C28 C 0.39099(11) 0.0967(5) 0.82520(15) 0.0406(10) Uani 1 1 d . . . . .
H28A H 0.367714 0.139156 0.839558 0.049 Uiso 1 1 calc R U . . .
H28B H 0.406361 0.055901 0.859384 0.049 Uiso 1 1 calc R U . . .
C29 C 0.46006(9) 0.4419(3) 0.58968(13) 0.0207(6) Uani 1 1 d . . . . .
C30 C 0.49748(9) 0.4032(3) 0.57919(14) 0.0215(6) Uani 1 1 d . . . . .
C31 C 0.52626(9) 0.4987(4) 0.57396(14) 0.0247(7) Uani 1 1 d . . . . .
C32 C 0.51683(9) 0.6343(4) 0.57871(14) 0.0252(7) Uani 1 1 d . . . . .
C33 C 0.47889(10) 0.6725(3) 0.58738(14) 0.0246(7) Uani 1 1 d . . . . .
C34 C 0.45037(9) 0.5771(3) 0.59371(14) 0.0234(7) Uani 1 1 d . . . . .
Sb1 Sb 0.71053(2) 0.38551(2) 0.63078(2) 0.02436(5) Uani 1 1 d . . . . .
F1 F 0.69058(8) 0.4841(3) 0.69070(12) 0.0578(7) Uani 1 1 d . . . . .
F2 F 0.72151(7) 0.5434(2) 0.59185(11) 0.0465(6) Uani 1 1 d . . . . .
F3 F 0.76054(6) 0.3909(3) 0.67129(10) 0.0435(6) Uani 1 1 d . . . . .
F4 F 0.73207(7) 0.2871(2) 0.57204(11) 0.0494(6) Uani 1 1 d . . . . .
F5 F 0.70090(7) 0.2277(2) 0.67073(14) 0.0602(8) Uani 1 1 d . . . . .
F6 F 0.66202(7) 0.3767(3) 0.58911(14) 0.0598(8) Uani 1 1 d . . . . .
Cl1 Cl 0.4606(3) 0.5409(11) 0.7636(5) 0.105(3) Uani 0.5 1 d D U P A -1
C35 C 0.4970(6) 0.6502(10) 0.748(2) 0.076(3) Uani 0.5 1 d D U P A -1
H35A H 0.500141 0.718920 0.779075 0.091 Uiso 0.5 1 calc R U P A -1
H35B H 0.489048 0.696224 0.710038 0.091 Uiso 0.5 1 calc R U P A -1
Cl2 Cl 0.5413(3) 0.5726(10) 0.7420(5) 0.089(3) Uani 0.5 1 d D U P A -1


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 O1 1.973(2) . ?
Au1 O2 2.034(2) . ?
Au1 N1 2.066(3) . ?
Au1 P1 2.2779(7) . ?
Br1 C30 1.885(3) . ?
Br2 C31 1.879(3) . ?
Br3 C32 1.879(3) . ?
Br4 C33 1.882(3) . ?
P1 C1 1.808(3) . ?
P1 C9 1.857(3) . ?
P1 C19 1.859(3) . ?
N1 C2 1.484(4) . ?
N1 C7 1.506(5) . ?
N1 C8 1.508(4) . ?
O1 C29 1.341(4) . ?
O2 C34 1.351(4) . ?
C1 C2 1.390(4) . ?
C1 C6 1.401(4) . ?
C2 C3 1.382(4) . ?
C3 C4 1.385(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.378(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(4) . ?
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 1.545(4) . ?
C9 C18 1.547(4) . ?
C9 C16 1.551(4) . ?
C10 C11 1.541(4) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.521(5) . ?
C11 C17 1.526(5) . ?
C11 H11 1.0000 . ?
C12 C13 1.538(5) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.527(4) . ?
C13 C18 1.536(4) . ?
C13 H13 1.0000 . ?
C14 C15 1.526(5) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C17 1.534(5) . ?
C15 C16 1.538(4) . ?
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 1.543(4) . ?
C19 C20 1.544(4) . ?
C19 C27 1.544(4) . ?
C20 C21 1.543(5) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C28 1.514(6) . ?
C21 C22 1.528(5) . ?
C21 H21 1.0000 . ?
C22 C23 1.526(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.518(5) . ?
C23 C27 1.532(4) . ?
C23 H23 1.0000 . ?
C24 C25 1.532(5) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C28 1.529(6) . ?
C25 C26 1.544(5) . ?
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 1.390(4) . ?
C29 C34 1.398(5) . ?
C30 C31 1.392(5) . ?
C31 C32 1.402(5) . ?
C32 C33 1.396(5) . ?
C33 C34 1.388(4) . ?
Sb1 F6 1.853(2) . ?
Sb1 F1 1.863(2) . ?
Sb1 F4 1.866(2) . ?
Sb1 F5 1.866(2) . ?
Sb1 F2 1.866(2) . ?
Sb1 F3 1.886(2) . ?
Cl1 C35 1.729(11) . ?
C35 Cl2 1.730(13) . ?
C35 H35A 0.9900 . ?
C35 H35B 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
O1 Au1 O2 84.27(9) . . ?
O1 Au1 N1 176.99(10) . . ?
O2 Au1 N1 92.80(9) . . ?
O1 Au1 P1 95.30(7) . . ?
O2 Au1 P1 178.04(8) . . ?
N1 Au1 P1 87.60(7) . . ?
C1 P1 C9 109.13(13) . . ?
C1 P1 C19 109.33(13) . . ?
C9 P1 C19 118.51(14) . . ?
C1 P1 Au1 99.09(10) . . ?
C9 P1 Au1 110.18(9) . . ?
C19 P1 Au1 108.85(10) . . ?
C2 N1 C7 110.2(3) . . ?
C2 N1 C8 109.4(3) . . ?
C7 N1 C8 109.5(3) . . ?
C2 N1 Au1 114.67(18) . . ?
C7 N1 Au1 106.4(2) . . ?
C8 N1 Au1 106.5(2) . . ?
C29 O1 Au1 110.35(19) . . ?
C34 O2 Au1 107.8(2) . . ?
C2 C1 C6 118.9(3) . . ?
C2 C1 P1 118.2(2) . . ?
C6 C1 P1 122.9(2) . . ?
C3 C2 C1 121.0(3) . . ?
C3 C2 N1 118.7(3) . . ?
C1 C2 N1 120.4(3) . . ?
C2 C3 C4 119.3(3) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.2(3) . . ?
C4 C5 H5 119.9 . . ?
C6 C5 H5 119.9 . . ?
C5 C6 C1 120.0(3) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
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 109.3(2) . . ?
C10 C9 C16 108.5(2) . . ?
C18 C9 C16 109.7(2) . . ?
C10 C9 P1 110.76(19) . . ?
C18 C9 P1 111.59(19) . . ?
C16 C9 P1 106.9(2) . . ?
C11 C10 C9 109.0(2) . . ?
C11 C10 H10A 109.9 . . ?
C9 C10 H10A 109.9 . . ?
C11 C10 H10B 109.9 . . ?
C9 C10 H10B 109.9 . . ?
H10A C10 H10B 108.3 . . ?
C12 C11 C17 110.1(3) . . ?
C12 C11 C10 110.4(3) . . ?
C17 C11 C10 109.3(3) . . ?
C12 C11 H11 109.0 . . ?
C17 C11 H11 109.0 . . ?
C10 C11 H11 109.0 . . ?
C11 C12 C13 109.1(3) . . ?
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 . . ?
C14 C13 C18 110.0(3) . . ?
C14 C13 C12 109.8(3) . . ?
C18 C13 C12 109.1(3) . . ?
C14 C13 H13 109.3 . . ?
C18 C13 H13 109.3 . . ?
C12 C13 H13 109.3 . . ?
C15 C14 C13 109.7(2) . . ?
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 109.7(3) . . ?
C14 C15 C16 109.4(3) . . ?
C17 C15 C16 109.5(3) . . ?
C14 C15 H15 109.4 . . ?
C17 C15 H15 109.4 . . ?
C16 C15 H15 109.4 . . ?
C15 C16 C9 109.3(2) . . ?
C15 C16 H16A 109.8 . . ?
C9 C16 H16A 109.8 . . ?
C15 C16 H16B 109.8 . . ?
C9 C16 H16B 109.8 . . ?
H16A C16 H16B 108.3 . . ?
C11 C17 C15 109.3(2) . . ?
C11 C17 H17A 109.8 . . ?
C15 C17 H17A 109.8 . . ?
C11 C17 H17B 109.8 . . ?
C15 C17 H17B 109.8 . . ?
H17A C17 H17B 108.3 . . ?
C13 C18 C9 109.2(2) . . ?
C13 C18 H18A 109.8 . . ?
C9 C18 H18A 109.8 . . ?
C13 C18 H18B 109.8 . . ?
C9 C18 H18B 109.8 . . ?
H18A C18 H18B 108.3 . . ?
C26 C19 C20 107.9(3) . . ?
C26 C19 C27 109.5(3) . . ?
C20 C19 C27 109.8(2) . . ?
C26 C19 P1 113.4(2) . . ?
C20 C19 P1 106.7(2) . . ?
C27 C19 P1 109.4(2) . . ?
C21 C20 C19 109.2(3) . . ?
C21 C20 H20A 109.8 . . ?
C19 C20 H20A 109.8 . . ?
C21 C20 H20B 109.8 . . ?
C19 C20 H20B 109.8 . . ?
H20A C20 H20B 108.3 . . ?
C28 C21 C22 110.4(3) . . ?
C28 C21 C20 110.2(3) . . ?
C22 C21 C20 108.7(3) . . ?
C28 C21 H21 109.2 . . ?
C22 C21 H21 109.2 . . ?
C20 C21 H21 109.2 . . ?
C23 C22 C21 109.0(3) . . ?
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 . . ?
C24 C23 C22 110.6(3) . . ?
C24 C23 C27 109.5(3) . . ?
C22 C23 C27 109.8(3) . . ?
C24 C23 H23 109.0 . . ?
C22 C23 H23 109.0 . . ?
C27 C23 H23 109.0 . . ?
C23 C24 C25 109.2(3) . . ?
C23 C24 H24A 109.8 . . ?
C25 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
C25 C24 H24B 109.8 . . ?
H24A C24 H24B 108.3 . . ?
C28 C25 C24 109.1(3) . . ?
C28 C25 C26 109.0(3) . . ?
C24 C25 C26 110.5(3) . . ?
C28 C25 H25 109.4 . . ?
C24 C25 H25 109.4 . . ?
C26 C25 H25 109.4 . . ?
C19 C26 C25 109.2(3) . . ?
C19 C26 H26A 109.8 . . ?
C25 C26 H26A 109.8 . . ?
C19 C26 H26B 109.8 . . ?
C25 C26 H26B 109.8 . . ?
H26A C26 H26B 108.3 . . ?
C23 C27 C19 109.2(2) . . ?
C23 C27 H27A 109.8 . . ?
C19 C27 H27A 109.8 . . ?
C23 C27 H27B 109.8 . . ?
C19 C27 H27B 109.8 . . ?
H27A C27 H27B 108.3 . . ?
C21 C28 C25 109.4(3) . . ?
C21 C28 H28A 109.8 . . ?
C25 C28 H28A 109.8 . . ?
C21 C28 H28B 109.8 . . ?
C25 C28 H28B 109.8 . . ?
H28A C28 H28B 108.2 . . ?
O1 C29 C30 120.7(3) . . ?
O1 C29 C34 118.4(3) . . ?
C30 C29 C34 120.9(3) . . ?
C29 C30 C31 120.3(3) . . ?
C29 C30 Br1 117.0(2) . . ?
C31 C30 Br1 122.7(2) . . ?
C30 C31 C32 119.1(3) . . ?
C30 C31 Br2 120.4(3) . . ?
C32 C31 Br2 120.5(2) . . ?
C33 C32 C31 120.2(3) . . ?
C33 C32 Br3 119.4(3) . . ?
C31 C32 Br3 120.4(2) . . ?
C34 C33 C32 120.7(3) . . ?
C34 C33 Br4 117.2(2) . . ?
C32 C33 Br4 122.1(2) . . ?
O2 C34 C33 122.4(3) . . ?
O2 C34 C29 118.8(3) . . ?
C33 C34 C29 118.8(3) . . ?
F6 Sb1 F1 91.32(13) . . ?
F6 Sb1 F4 90.49(12) . . ?
F1 Sb1 F4 178.19(12) . . ?
F6 Sb1 F5 90.96(13) . . ?
F1 Sb1 F5 89.94(13) . . ?
F4 Sb1 F5 90.09(13) . . ?
F6 Sb1 F2 90.58(12) . . ?
F1 Sb1 F2 90.13(12) . . ?
F4 Sb1 F2 89.80(12) . . ?
F5 Sb1 F2 178.46(12) . . ?
F6 Sb1 F3 178.12(12) . . ?
F1 Sb1 F3 90.55(12) . . ?
F4 Sb1 F3 87.63(11) . . ?
F5 Sb1 F3 88.92(11) . . ?
F2 Sb1 F3 89.54(11) . . ?
Cl1 C35 Cl2 113.3(6) . . ?
Cl1 C35 H35A 108.9 . . ?
Cl2 C35 H35A 108.9 . . ?
Cl1 C35 H35B 108.9 . . ?
Cl2 C35 H35B 108.9 . . ?
H35A C35 H35B 107.7 . . ?

_refine_diff_density_max         1.066
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.112


# start Validation Reply Form
_vrf_PLAT910_5b                  
;
PROBLEM: Missing # of FCF Reflection(s) Below Theta(Min).
RESPONSE:  Theta min = 2.90 deg. The theta value of missing reflections 
is below 2.84 deg. These reflections are therefore excluded.
;
####################################################################### 
# 
# 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_5c
_database_code_depnum_ccdc_archive 'CCDC 2180467'
loop_
_audit_author_name
_audit_author_address
'Sonia Ladeira'
;institut de chimie de Toulouse
France
;
_audit_update_record             
;
2022-06-20 deposited with the CCDC.	2022-08-25 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         'C34 H40 Au F4 N O2 P, F6 Sb'
_chemical_formula_sum            'C34 H40 Au F10 N O2 P Sb'
_chemical_formula_weight         1034.35

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.0562 5.8946 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

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

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

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

_cell_length_a                   17.2368(9)
_cell_length_b                   11.7530(6)
_cell_length_c                   18.2426(10)
_cell_angle_alpha                90
_cell_angle_beta                 109.910(2)
_cell_angle_gamma                90
_cell_volume                     3474.8(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9789
_cell_measurement_theta_min      2.73
_cell_measurement_theta_max      72.31

_exptl_crystal_description       prism
_exptl_crystal_colour            grey
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_density_diffrn    1.977
_exptl_crystal_F_000             2008
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.160
_exptl_absorpt_coefficient_mu    15.209
_shelx_estimated_absorpt_T_min   0.151
_shelx_estimated_absorpt_T_max   0.195
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      193(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_source                   'Incoatec microfocus sealed tube'
_diffrn_measurement_device_type  'Bruker D8-Venture CMOS detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_detector_area_resol_mean 10.4167
_diffrn_reflns_number            62938
_diffrn_reflns_av_unetI/netI     0.0294
_diffrn_reflns_av_R_equivalents  0.0624
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         4.561
_diffrn_reflns_theta_max         72.376
_diffrn_reflns_theta_full        67.679
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             6860
_reflns_number_gt                6121
_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)+(0.0454P)²+11.8109P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     'Dual space'
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6860
_refine_ls_number_parameters     517
_refine_ls_number_restraints     225
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0350
_refine_ls_wR_factor_ref         0.0841
_refine_ls_wR_factor_gt          0.0813
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.083
_refine_ls_shift/su_max          0.003
_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 0.70503(2) 0.30509(2) 0.57398(2) 0.01102(7) Uani 1 1 d . . . . .
P1 P 0.75423(7) 0.12951(9) 0.56102(7) 0.0100(2) Uani 1 1 d . . . . .
F1 F 0.42956(18) 0.2141(2) 0.53619(19) 0.0247(7) Uani 1 1 d . . . . .
F2 F 0.33727(18) 0.3834(3) 0.5662(2) 0.0299(7) Uani 1 1 d . . . . .
F3 F 0.4041(2) 0.5940(3) 0.6082(2) 0.0307(7) Uani 1 1 d . . . . .
F4 F 0.56305(19) 0.6343(2) 0.62145(18) 0.0236(7) Uani 1 1 d . . . . .
O1 O 0.59177(19) 0.2494(3) 0.5541(2) 0.0156(7) Uani 1 1 d . . . . .
O2 O 0.6600(2) 0.4590(3) 0.5937(2) 0.0162(7) Uani 1 1 d . . . . .
N1 N 0.8222(2) 0.3665(3) 0.5953(2) 0.0135(8) Uani 1 1 d . . . . .
C1 C 0.8620(3) 0.1649(4) 0.5859(3) 0.0138(9) Uani 1 1 d . . . . .
C2 C 0.8843(3) 0.2781(4) 0.5975(3) 0.0157(10) Uani 1 1 d . . . . .
C3 C 0.9660(3) 0.3125(5) 0.6106(3) 0.0260(12) Uani 1 1 d . . . . .
H3 H 0.981224 0.390459 0.618453 0.031 Uiso 1 1 calc R U . . .
C4 C 1.0235(3) 0.2301(6) 0.6118(4) 0.0328(14) Uani 1 1 d . . . . .
H4 H 1.078918 0.252038 0.620476 0.039 Uiso 1 1 calc R U . . .
C5 C 1.0020(3) 0.1155(5) 0.6005(3) 0.0263(12) Uani 1 1 d . . . . .
H5 H 1.042639 0.060042 0.602042 0.032 Uiso 1 1 calc R U . . .
C6 C 0.9215(3) 0.0830(4) 0.5872(3) 0.0201(10) Uani 1 1 d . . . . .
H6 H 0.906422 0.005050 0.578979 0.024 Uiso 1 1 calc R U . . .
C7 C 0.7152(3) 0.0821(4) 0.4571(3) 0.0123(9) Uani 1 1 d . . . . .
C8 C 0.7532(3) 0.1636(5) 0.4118(3) 0.0201(11) Uani 1 1 d . . . . .
H8A H 0.736602 0.242871 0.417441 0.024 Uiso 1 1 calc R U . . .
H8B H 0.814119 0.159154 0.433550 0.024 Uiso 1 1 calc R U . . .
C9 C 0.7235(3) 0.1308(5) 0.3258(3) 0.0237(11) Uani 1 1 d . . . . .
H9 H 0.748937 0.183271 0.297161 0.028 Uiso 1 1 calc R U . . .
C10 C 0.7490(4) 0.0087(5) 0.3166(3) 0.0300(13) Uani 1 1 d . . . . .
H10A H 0.730293 -0.011959 0.260699 0.036 Uiso 1 1 calc R U . . .
H10B H 0.809858 0.001960 0.337841 0.036 Uiso 1 1 calc R U . . .
C11 C 0.7107(4) -0.0713(5) 0.3599(3) 0.0277(12) Uani 1 1 d . . . . .
H11 H 0.727188 -0.151212 0.353512 0.033 Uiso 1 1 calc R U . . .
C12 C 0.6171(4) -0.0615(5) 0.3266(3) 0.0307(14) Uani 1 1 d . . . . .
H12A H 0.591913 -0.114033 0.354545 0.037 Uiso 1 1 calc R U . . .
H12B H 0.597349 -0.082944 0.270810 0.037 Uiso 1 1 calc R U . . .
C13 C 0.5912(3) 0.0618(5) 0.3356(3) 0.0250(12) Uani 1 1 d . . . . .
H13 H 0.529711 0.067888 0.313170 0.030 Uiso 1 1 calc R U . . .
C14 C 0.6200(3) 0.0931(5) 0.4227(3) 0.0207(11) Uani 1 1 d . . . . .
H14A H 0.594154 0.041538 0.450615 0.025 Uiso 1 1 calc R U . . .
H14B H 0.603361 0.172080 0.429060 0.025 Uiso 1 1 calc R U . . .
C15 C 0.7412(3) -0.0407(4) 0.4478(3) 0.0213(11) Uani 1 1 d . . . . .
H15A H 0.716791 -0.093697 0.476171 0.026 Uiso 1 1 calc R U . . .
H15B H 0.801969 -0.047708 0.469850 0.026 Uiso 1 1 calc R U . . .
C16 C 0.6295(3) 0.1423(5) 0.2922(3) 0.0238(11) Uani 1 1 d . . . . .
H16A H 0.613198 0.221645 0.298016 0.029 Uiso 1 1 calc R U . . .
H16B H 0.609652 0.123262 0.235943 0.029 Uiso 1 1 calc R U . . .
C17 C 0.7373(3) 0.0329(4) 0.6357(3) 0.0119(9) Uani 1 1 d . . . . .
C18 C 0.8039(3) -0.0607(4) 0.6596(3) 0.0179(10) Uani 1 1 d . . . . .
H18A H 0.859369 -0.025559 0.680260 0.021 Uiso 1 1 calc R U . . .
H18B H 0.801254 -0.107261 0.613599 0.021 Uiso 1 1 calc R U . . .
C19 C 0.7894(3) -0.1367(4) 0.7226(3) 0.0227(11) Uani 1 1 d . . . . .
H19 H 0.831808 -0.198386 0.737427 0.027 Uiso 1 1 calc R U . . .
C20 C 0.7037(4) -0.1897(4) 0.6904(3) 0.0255(12) Uani 1 1 d . . . . .
H20A H 0.694617 -0.240390 0.730094 0.031 Uiso 1 1 calc R U . . .
H20B H 0.699136 -0.235889 0.643764 0.031 Uiso 1 1 calc R U . . .
C21 C 0.6382(3) -0.0958(5) 0.6687(3) 0.0218(11) Uani 1 1 d . . . . .
H21 H 0.582105 -0.131028 0.648777 0.026 Uiso 1 1 calc R U . . .
C22 C 0.6459(4) -0.0229(5) 0.7406(3) 0.0264(12) Uani 1 1 d . . . . .
H22A H 0.603875 0.038241 0.726325 0.032 Uiso 1 1 calc R U . . .
H22B H 0.636134 -0.070629 0.781353 0.032 Uiso 1 1 calc R U . . .
C23 C 0.7321(3) 0.0291(4) 0.7719(3) 0.0220(11) Uani 1 1 d . . . . .
H23 H 0.737025 0.076093 0.818931 0.026 Uiso 1 1 calc R U . . .
C24 C 0.7450(3) 0.1061(4) 0.7085(3) 0.0189(10) Uani 1 1 d . . . . .
H24A H 0.800318 0.141828 0.728399 0.023 Uiso 1 1 calc R U . . .
H24B H 0.703067 0.167313 0.694502 0.023 Uiso 1 1 calc R U . . .
C25 C 0.6510(3) -0.0203(4) 0.6045(3) 0.0165(10) Uani 1 1 d . . . . .
H25A H 0.645499 -0.066676 0.557731 0.020 Uiso 1 1 calc R U . . .
H25B H 0.608642 0.040376 0.589598 0.020 Uiso 1 1 calc R U . . .
C26 C 0.7971(4) -0.0640(5) 0.7942(3) 0.0281(12) Uani 1 1 d . . . . .
H26A H 0.789398 -0.112108 0.835732 0.034 Uiso 1 1 calc R U . . .
H26B H 0.852795 -0.029567 0.814480 0.034 Uiso 1 1 calc R U . . .
C27 C 0.8173(3) 0.4517(5) 0.5312(3) 0.0255(12) Uani 1 1 d . . . . .
H27A H 0.872120 0.483842 0.539791 0.038 Uiso 1 1 calc R U . . .
H27B H 0.778955 0.512891 0.532061 0.038 Uiso 1 1 calc R U . . .
H27C H 0.797557 0.413322 0.480536 0.038 Uiso 1 1 calc R U . . .
C28 C 0.8468(3) 0.4279(4) 0.6723(3) 0.0203(11) Uani 1 1 d . . . . .
H28A H 0.849009 0.373703 0.713787 0.030 Uiso 1 1 calc R U . . .
H28B H 0.806159 0.487280 0.670129 0.030 Uiso 1 1 calc R U . . .
H28C H 0.901229 0.462684 0.683081 0.030 Uiso 1 1 calc R U . . .
C29 C 0.5448(3) 0.3354(4) 0.5672(3) 0.0126(9) Uani 1 1 d . . . . .
C30 C 0.4634(3) 0.3173(4) 0.5595(3) 0.0163(10) Uani 1 1 d . . . . .
C31 C 0.4163(3) 0.4021(5) 0.5744(3) 0.0198(10) Uani 1 1 d . . . . .
C32 C 0.4506(3) 0.5089(4) 0.5953(3) 0.0191(10) Uani 1 1 d . . . . .
C33 C 0.5312(3) 0.5288(4) 0.6018(3) 0.0163(10) Uani 1 1 d . . . . .
C34 C 0.5805(3) 0.4437(4) 0.5880(3) 0.0127(9) Uani 1 1 d . . . . .
Sb1 Sb 0.98871(16) 0.7241(3) 0.6325(2) 0.0189(5) Uani 0.599(17) 1 d . U P A 1
F5 F 0.9919(8) 0.6003(9) 0.5697(7) 0.050(2) Uani 0.599(17) 1 d D U P A 1
F6 F 0.8857(6) 0.6787(10) 0.6326(8) 0.054(3) Uani 0.599(17) 1 d D U P A 1
F7 F 0.9852(8) 0.8496(9) 0.6954(7) 0.043(2) Uani 0.599(17) 1 d D U P A 1
F8 F 1.0900(7) 0.7740(12) 0.6306(10) 0.078(3) Uani 0.599(17) 1 d D U P A 1
F9 F 1.0374(8) 0.6329(11) 0.7198(6) 0.071(3) Uani 0.599(17) 1 d D U P A 1
F10 F 0.9327(9) 0.8154(9) 0.5448(6) 0.060(3) Uani 0.599(17) 1 d D U P A 1
Sb1' Sb 0.9941(4) 0.7188(6) 0.6198(5) 0.0426(12) Uani 0.401(17) 1 d . U P A 2
F5' F 0.9805(14) 0.6149(16) 0.5418(12) 0.068(4) Uani 0.401(17) 1 d D U P A 2
F6' F 0.8789(9) 0.7021(18) 0.6034(12) 0.067(4) Uani 0.401(17) 1 d D U P A 2
F7' F 0.9963(14) 0.8193(16) 0.7045(11) 0.058(4) Uani 0.401(17) 1 d D U P A 2
F8' F 1.1047(9) 0.7389(16) 0.6495(12) 0.067(4) Uani 0.401(17) 1 d D U P A 2
F9' F 1.0126(9) 0.5918(13) 0.6897(12) 0.066(4) Uani 0.401(17) 1 d D U P A 2
F10' F 0.9729(13) 0.8359(12) 0.5546(9) 0.062(4) Uani 0.401(17) 1 d D U P A 2


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 O1 1.972(3) . ?
Au1 O2 2.048(3) . ?
Au1 N1 2.053(4) . ?
Au1 P1 2.2737(11) . ?
P1 C1 1.805(5) . ?
P1 C7 1.868(5) . ?
P1 C17 1.872(5) . ?
F1 C30 1.350(5) . ?
F2 C31 1.337(6) . ?
F3 C32 1.352(6) . ?
F4 C33 1.354(5) . ?
O1 C29 1.367(6) . ?
O2 C34 1.350(6) . ?
N1 C2 1.483(6) . ?
N1 C28 1.506(6) . ?
N1 C27 1.519(6) . ?
C1 C2 1.380(7) . ?
C1 C6 1.401(7) . ?
C2 C3 1.404(7) . ?
C3 C4 1.381(8) . ?
C3 H3 0.9500 . ?
C4 C5 1.394(8) . ?
C4 H4 0.9500 . ?
C5 C6 1.378(7) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C15 1.538(7) . ?
C7 C14 1.549(6) . ?
C7 C8 1.549(6) . ?
C8 C9 1.525(7) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.527(8) . ?
C9 C16 1.531(7) . ?
C9 H9 1.0000 . ?
C10 C11 1.516(8) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.522(9) . ?
C11 C15 1.549(7) . ?
C11 H11 1.0000 . ?
C12 C13 1.541(8) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C16 1.522(8) . ?
C13 C14 1.540(7) . ?
C13 H13 1.0000 . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C25 1.533(6) . ?
C17 C18 1.542(6) . ?
C17 C24 1.550(6) . ?
C18 C19 1.542(7) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.524(8) . ?
C19 C26 1.528(8) . ?
C19 H19 1.0000 . ?
C20 C21 1.530(8) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.534(7) . ?
C21 C25 1.544(7) . ?
C21 H21 1.0000 . ?
C22 C23 1.528(8) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C26 1.518(8) . ?
C23 C24 1.542(7) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C30 1.380(7) . ?
C29 C34 1.408(6) . ?
C30 C31 1.369(7) . ?
C31 C32 1.384(8) . ?
C32 C33 1.374(7) . ?
C33 C34 1.389(7) . ?
Sb1 F8 1.853(10) . ?
Sb1 F6 1.855(9) . ?
Sb1 F5 1.865(9) . ?
Sb1 F9 1.866(8) . ?
Sb1 F7 1.882(9) . ?
Sb1 F10 1.894(9) . ?
Sb1' F10' 1.773(14) . ?
Sb1' F8' 1.811(15) . ?
Sb1' F5' 1.829(16) . ?
Sb1' F6' 1.916(16) . ?
Sb1' F9' 1.918(13) . ?
Sb1' F7' 1.934(18) . ?

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
O1 Au1 O2 85.10(13) . . ?
O1 Au1 N1 178.76(15) . . ?
O2 Au1 N1 93.66(15) . . ?
O1 Au1 P1 93.46(10) . . ?
O2 Au1 P1 175.53(10) . . ?
N1 Au1 P1 87.77(12) . . ?
C1 P1 C7 108.0(2) . . ?
C1 P1 C17 111.0(2) . . ?
C7 P1 C17 117.8(2) . . ?
C1 P1 Au1 98.79(16) . . ?
C7 P1 Au1 110.99(15) . . ?
C17 P1 Au1 108.60(15) . . ?
C29 O1 Au1 109.3(3) . . ?
C34 O2 Au1 107.8(3) . . ?
C2 N1 C28 109.9(4) . . ?
C2 N1 C27 109.5(4) . . ?
C28 N1 C27 109.0(4) . . ?
C2 N1 Au1 114.4(3) . . ?
C28 N1 Au1 107.0(3) . . ?
C27 N1 Au1 107.0(3) . . ?
C2 C1 C6 119.7(4) . . ?
C2 C1 P1 118.0(4) . . ?
C6 C1 P1 122.0(4) . . ?
C1 C2 C3 121.0(5) . . ?
C1 C2 N1 120.7(4) . . ?
C3 C2 N1 118.4(4) . . ?
C4 C3 C2 118.2(5) . . ?
C4 C3 H3 120.9 . . ?
C2 C3 H3 120.9 . . ?
C3 C4 C5 121.5(5) . . ?
C3 C4 H4 119.2 . . ?
C5 C4 H4 119.2 . . ?
C6 C5 C4 119.6(5) . . ?
C6 C5 H5 120.2 . . ?
C4 C5 H5 120.2 . . ?
C5 C6 C1 120.0(5) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C15 C7 C14 110.0(4) . . ?
C15 C7 C8 109.3(4) . . ?
C14 C7 C8 108.3(4) . . ?
C15 C7 P1 112.0(3) . . ?
C14 C7 P1 110.6(3) . . ?
C8 C7 P1 106.6(3) . . ?
C9 C8 C7 109.8(4) . . ?
C9 C8 H8A 109.7 . . ?
C7 C8 H8A 109.7 . . ?
C9 C8 H8B 109.7 . . ?
C7 C8 H8B 109.7 . . ?
H8A C8 H8B 108.2 . . ?
C8 C9 C10 110.0(5) . . ?
C8 C9 C16 109.2(4) . . ?
C10 C9 C16 110.1(5) . . ?
C8 C9 H9 109.2 . . ?
C10 C9 H9 109.2 . . ?
C16 C9 H9 109.2 . . ?
C11 C10 C9 109.5(4) . . ?
C11 C10 H10A 109.8 . . ?
C9 C10 H10A 109.8 . . ?
C11 C10 H10B 109.8 . . ?
C9 C10 H10B 109.8 . . ?
H10A C10 H10B 108.2 . . ?
C10 C11 C12 109.6(5) . . ?
C10 C11 C15 109.9(5) . . ?
C12 C11 C15 109.6(5) . . ?
C10 C11 H11 109.2 . . ?
C12 C11 H11 109.2 . . ?
C15 C11 H11 109.2 . . ?
C11 C12 C13 109.6(4) . . ?
C11 C12 H12A 109.8 . . ?
C13 C12 H12A 109.8 . . ?
C11 C12 H12B 109.8 . . ?
C13 C12 H12B 109.8 . . ?
H12A C12 H12B 108.2 . . ?
C16 C13 C14 110.1(4) . . ?
C16 C13 C12 109.7(4) . . ?
C14 C13 C12 109.3(5) . . ?
C16 C13 H13 109.2 . . ?
C14 C13 H13 109.2 . . ?
C12 C13 H13 109.2 . . ?
C13 C14 C7 108.8(4) . . ?
C13 C14 H14A 109.9 . . ?
C7 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C7 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C7 C15 C11 108.8(4) . . ?
C7 C15 H15A 109.9 . . ?
C11 C15 H15A 109.9 . . ?
C7 C15 H15B 109.9 . . ?
C11 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C13 C16 C9 108.9(4) . . ?
C13 C16 H16A 109.9 . . ?
C9 C16 H16A 109.9 . . ?
C13 C16 H16B 109.9 . . ?
C9 C16 H16B 109.9 . . ?
H16A C16 H16B 108.3 . . ?
C25 C17 C18 110.5(4) . . ?
C25 C17 C24 109.5(4) . . ?
C18 C17 C24 108.4(4) . . ?
C25 C17 P1 110.4(3) . . ?
C18 C17 P1 110.7(3) . . ?
C24 C17 P1 107.3(3) . . ?
C17 C18 C19 109.2(4) . . ?
C17 C18 H18A 109.8 . . ?
C19 C18 H18A 109.8 . . ?
C17 C18 H18B 109.8 . . ?
C19 C18 H18B 109.8 . . ?
H18A C18 H18B 108.3 . . ?
C20 C19 C26 110.4(5) . . ?
C20 C19 C18 109.4(4) . . ?
C26 C19 C18 108.9(4) . . ?
C20 C19 H19 109.4 . . ?
C26 C19 H19 109.4 . . ?
C18 C19 H19 109.4 . . ?
C19 C20 C21 109.7(4) . . ?
C19 C20 H20A 109.7 . . ?
C21 C20 H20A 109.7 . . ?
C19 C20 H20B 109.7 . . ?
C21 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C20 C21 C22 109.9(5) . . ?
C20 C21 C25 109.2(4) . . ?
C22 C21 C25 109.5(4) . . ?
C20 C21 H21 109.4 . . ?
C22 C21 H21 109.4 . . ?
C25 C21 H21 109.4 . . ?
C23 C22 C21 109.4(4) . . ?
C23 C22 H22A 109.8 . . ?
C21 C22 H22A 109.8 . . ?
C23 C22 H22B 109.8 . . ?
C21 C22 H22B 109.8 . . ?
H22A C22 H22B 108.2 . . ?
C26 C23 C22 110.3(5) . . ?
C26 C23 C24 110.0(4) . . ?
C22 C23 C24 109.0(4) . . ?
C26 C23 H23 109.2 . . ?
C22 C23 H23 109.2 . . ?
C24 C23 H23 109.2 . . ?
C23 C24 C17 108.9(4) . . ?
C23 C24 H24A 109.9 . . ?
C17 C24 H24A 109.9 . . ?
C23 C24 H24B 109.9 . . ?
C17 C24 H24B 109.9 . . ?
H24A C24 H24B 108.3 . . ?
C17 C25 C21 108.9(4) . . ?
C17 C25 H25A 109.9 . . ?
C21 C25 H25A 109.9 . . ?
C17 C25 H25B 109.9 . . ?
C21 C25 H25B 109.9 . . ?
H25A C25 H25B 108.3 . . ?
C23 C26 C19 109.4(4) . . ?
C23 C26 H26A 109.8 . . ?
C19 C26 H26A 109.8 . . ?
C23 C26 H26B 109.8 . . ?
C19 C26 H26B 109.8 . . ?
H26A C26 H26B 108.2 . . ?
N1 C27 H27A 109.5 . . ?
N1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
N1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N1 C28 H28A 109.5 . . ?
N1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
N1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O1 C29 C30 120.7(4) . . ?
O1 C29 C34 119.1(4) . . ?
C30 C29 C34 120.2(4) . . ?
F1 C30 C31 119.7(4) . . ?
F1 C30 C29 119.1(4) . . ?
C31 C30 C29 121.2(5) . . ?
F2 C31 C30 120.5(5) . . ?
F2 C31 C32 120.2(5) . . ?
C30 C31 C32 119.2(5) . . ?
F3 C32 C33 120.1(5) . . ?
F3 C32 C31 119.7(5) . . ?
C33 C32 C31 120.2(5) . . ?
F4 C33 C32 119.0(4) . . ?
F4 C33 C34 119.3(4) . . ?
C32 C33 C34 121.7(4) . . ?
O2 C34 C33 123.9(4) . . ?
O2 C34 C29 118.6(4) . . ?
C33 C34 C29 117.5(4) . . ?
F8 Sb1 F6 178.1(6) . . ?
F8 Sb1 F5 90.6(5) . . ?
F6 Sb1 F5 90.3(5) . . ?
F8 Sb1 F9 92.6(5) . . ?
F6 Sb1 F9 89.2(5) . . ?
F5 Sb1 F9 88.7(5) . . ?
F8 Sb1 F7 89.4(5) . . ?
F6 Sb1 F7 89.7(5) . . ?
F5 Sb1 F7 179.7(5) . . ?
F9 Sb1 F7 91.6(5) . . ?
F8 Sb1 F10 91.0(5) . . ?
F6 Sb1 F10 87.2(5) . . ?
F5 Sb1 F10 92.1(4) . . ?
F9 Sb1 F10 176.3(5) . . ?
F7 Sb1 F10 87.6(5) . . ?
F10' Sb1' F8' 93.2(7) . . ?
F10' Sb1' F5' 93.1(8) . . ?
F8' Sb1' F5' 99.4(10) . . ?
F10' Sb1' F6' 90.5(8) . . ?
F8' Sb1' F6' 171.9(10) . . ?
F5' Sb1' F6' 87.6(9) . . ?
F10' Sb1' F9' 177.8(8) . . ?
F8' Sb1' F9' 89.0(6) . . ?
F5' Sb1' F9' 86.9(8) . . ?
F6' Sb1' F9' 87.2(7) . . ?
F10' Sb1' F7' 90.3(8) . . ?
F8' Sb1' F7' 87.1(9) . . ?
F5' Sb1' F7' 172.5(11) . . ?
F6' Sb1' F7' 85.7(8) . . ?
F9' Sb1' F7' 89.5(8) . . ?

_refine_diff_density_max         1.133
_refine_diff_density_min         -1.102
_refine_diff_density_rms         0.176

####################################################################### 
# 
# 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_6c
_database_code_depnum_ccdc_archive 'CCDC 2180468'
loop_
_audit_author_name
_audit_author_address
'Sonia Ladeira'
;institut de chimie de Toulouse
France
;
_audit_update_record             
;
2022-06-20 deposited with the CCDC.	2022-08-25 downloaded from the CCDC.
;

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

_chemical_formula_moiety         'C35 H50 Au N P, F6 Sb'
_chemical_formula_sum            'C35 H50 Au F6 N P Sb'
_chemical_formula_weight         948.46

#----------------------------------------------------------------------------#
#                   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                   12.1539(4)
_cell_length_b                   16.3040(7)
_cell_length_c                   18.9124(9)
_cell_angle_alpha                90
_cell_angle_beta                 97.080(2)
_cell_angle_gamma                90
_cell_volume                     3719.1(3)
_cell_formula_units_Z            4
_cell_measurement_temperature    193(2)
_cell_measurement_reflns_used    9632
_cell_measurement_theta_min      2.50
_cell_measurement_theta_max      37.17

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

_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.04
_exptl_crystal_density_diffrn    1.694
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1864

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

_exptl_absorpt_coefficient_mu    4.764
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker AXS Inc.)'
_exptl_absorpt_correction_T_min  0.5786
_exptl_absorpt_correction_T_max  0.7474

#----------------------------------------------------------------------------#
#                   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 PHOTON3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_standards_number         0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_decay_%        0
_diffrn_reflns_av_R_equivalents  0.0444
_diffrn_reflns_av_unetI/netI     0.026
_diffrn_reflns_number            238431
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_theta_min         2.724
_diffrn_reflns_theta_max         37.834
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.946
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.946
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.946
_reflns_Friedel_coverage         0
_reflns_number_total             18925
_reflns_number_gt                15313
_reflns_threshold_expression     'I > 2σ(I)'

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

_computing_data_collection       APEX2
_computing_cell_refinement       'APEX2 and 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   mixed

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

_shelx_SHELXL_version_number     2018/3
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0263P)²+2.9308P] where P=(Fo²+2Fc²)/3'
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_number_reflns         18925
_refine_ls_number_parameters     416
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.047
_refine_ls_R_factor_gt           0.0315
_refine_ls_wR_factor_ref         0.0635
_refine_ls_wR_factor_gt          0.0593
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.072
_refine_ls_shift/su_max          0.006
_refine_ls_shift/su_mean         0
_refine_diff_density_max         1.815
_refine_diff_density_min         -1.042
_refine_diff_density_rms         0.122

#----------------------------------------------------------------------------#
#                   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'

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 0.53737(2) 0.19375(2) 0.67046(2) 0.02036(2) Uani 1 1 d . . . . .
C1 C 0.34166(14) 0.19127(10) 0.77390(9) 0.0179(3) Uani 1 1 d . . . . .
C2 C 0.24773(15) 0.20702(11) 0.80818(10) 0.0212(3) Uani 1 1 d . . . . .
H2 H 0.202585 0.253177 0.79407 0.025 Uiso 1 1 calc R U . . .
C3 C 0.21942(18) 0.15651(12) 0.86232(11) 0.0269(4) Uani 1 1 d . . . . .
H3 H 0.155741 0.168388 0.885013 0.032 Uiso 1 1 calc R U . . .
C4 C 0.2841(2) 0.08908(14) 0.88300(12) 0.0333(4) Uani 1 1 d . . . . .
H4 H 0.265821 0.054984 0.920597 0.04 Uiso 1 1 calc R U . . .
C5 C 0.37566(19) 0.07119(13) 0.84883(12) 0.0300(4) Uani 1 1 d . . . . .
H5 H 0.419273 0.024247 0.86286 0.036 Uiso 1 1 calc R U . . .
C6 C 0.40483(15) 0.12100(11) 0.79417(10) 0.0212(3) Uani 1 1 d . . . . .
C7 C 0.4690(3) 0.01974(14) 0.71654(16) 0.0451(6) Uani 1 1 d . . . . .
H7A H 0.457184 -0.02438 0.74998 0.068 Uiso 1 1 calc R U . . .
H7B H 0.52967 0.004711 0.689432 0.068 Uiso 1 1 calc R U . . .
H7C H 0.401021 0.028172 0.683686 0.068 Uiso 1 1 calc R U . . .
C8 C 0.6006(2) 0.0851(2) 0.80678(16) 0.0470(7) Uani 1 1 d . . . . .
H8A H 0.618259 0.136019 0.833301 0.071 Uiso 1 1 calc R U . . .
H8B H 0.661938 0.070897 0.779905 0.071 Uiso 1 1 calc R U . . .
H8C H 0.589608 0.040769 0.84019 0.071 Uiso 1 1 calc R U . . .
C9 C 0.67974(17) 0.14439(14) 0.62653(11) 0.0280(4) Uani 1 1 d . . . . .
C10 C 0.64877(18) 0.21775(14) 0.59099(13) 0.0302(4) Uani 1 1 d . . . . .
C11 C 0.6058(2) 0.19469(16) 0.51521(13) 0.0374(5) Uani 1 1 d . . . . .
H11 H 0.556509 0.235751 0.487772 0.045 Uiso 1 1 calc R U . . .
C12 C 0.7125(2) 0.1697(2) 0.48210(15) 0.0499(7) Uani 1 1 d . . . . .
H12A H 0.695985 0.160647 0.430117 0.06 Uiso 1 1 calc R U . . .
H12B H 0.770745 0.212167 0.491061 0.06 Uiso 1 1 calc R U . . .
C13 C 0.7480(3) 0.0892(2) 0.52134(15) 0.0498(7) Uani 1 1 d . . . . .
H13A H 0.822342 0.094604 0.548865 0.06 Uiso 1 1 calc R U . . .
H13B H 0.748856 0.043017 0.487407 0.06 Uiso 1 1 calc R U . . .
C14 C 0.6569(2) 0.07634(15) 0.57191(13) 0.0369(5) Uani 1 1 d . . . . .
H14 H 0.649714 0.019684 0.591076 0.044 Uiso 1 1 calc R U . . .
C15 C 0.5555(2) 0.11024(18) 0.52443(13) 0.0400(5) Uani 1 1 d . . . . .
H15A H 0.539582 0.080098 0.478878 0.048 Uiso 1 1 calc R U . . .
H15B H 0.488292 0.11248 0.549137 0.048 Uiso 1 1 calc R U . . .
C16 C 0.42338(13) 0.35908(10) 0.75693(9) 0.0162(3) Uani 1 1 d . . . . .
C17 C 0.53055(16) 0.33926(11) 0.80698(11) 0.0249(4) Uani 1 1 d . . . . .
H17A H 0.514808 0.296629 0.841623 0.03 Uiso 1 1 calc R U . . .
H17B H 0.587347 0.317493 0.77867 0.03 Uiso 1 1 calc R U . . .
C18 C 0.57514(17) 0.41664(13) 0.84712(12) 0.0284(4) Uani 1 1 d . . . . .
H18 H 0.644309 0.402723 0.879173 0.034 Uiso 1 1 calc R U . . .
C19 C 0.60163(18) 0.48109(14) 0.79268(13) 0.0326(4) Uani 1 1 d . . . . .
H19A H 0.631795 0.531061 0.817742 0.039 Uiso 1 1 calc R U . . .
H19B H 0.658264 0.459418 0.764194 0.039 Uiso 1 1 calc R U . . .
C20 C 0.49582(18) 0.50231(12) 0.74351(11) 0.0272(4) Uani 1 1 d . . . . .
H20 H 0.512821 0.544955 0.708432 0.033 Uiso 1 1 calc R U . . .
C21 C 0.40941(18) 0.53553(12) 0.78819(11) 0.0276(4) Uani 1 1 d . . . . .
H21A H 0.438087 0.58569 0.813609 0.033 Uiso 1 1 calc R U . . .
H21B H 0.341014 0.550167 0.756728 0.033 Uiso 1 1 calc R U . . .
C22 C 0.38296(16) 0.47098(11) 0.84197(10) 0.0237(3) Uani 1 1 d . . . . .
H22 H 0.326006 0.493245 0.870748 0.028 Uiso 1 1 calc R U . . .
C23 C 0.33731(15) 0.39277(11) 0.80275(10) 0.0216(3) Uani 1 1 d . . . . .
H23A H 0.320981 0.350855 0.837876 0.026 Uiso 1 1 calc R U . . .
H23B H 0.267522 0.405668 0.772015 0.026 Uiso 1 1 calc R U . . .
C24 C 0.44962(16) 0.42533(11) 0.70341(10) 0.0227(3) Uani 1 1 d . . . . .
H24A H 0.504713 0.403975 0.673618 0.027 Uiso 1 1 calc R U . . .
H24B H 0.381348 0.439519 0.671647 0.027 Uiso 1 1 calc R U . . .
C25 C 0.48822(19) 0.44980(13) 0.89170(11) 0.0292(4) Uani 1 1 d . . . . .
H25A H 0.516956 0.499389 0.917994 0.035 Uiso 1 1 calc R U . . .
H25B H 0.471352 0.408032 0.926804 0.035 Uiso 1 1 calc R U . . .
C26 C 0.26980(14) 0.27180(11) 0.63268(9) 0.0193(3) Uani 1 1 d . . . . .
C27 C 0.31629(18) 0.31026(13) 0.56741(10) 0.0266(4) Uani 1 1 d . . . . .
H27A H 0.341214 0.367064 0.578864 0.032 Uiso 1 1 calc R U . . .
H27B H 0.381049 0.278199 0.556099 0.032 Uiso 1 1 calc R U . . .
C28 C 0.2269(2) 0.31094(15) 0.50275(11) 0.0336(4) Uani 1 1 d . . . . .
H28 H 0.257685 0.336207 0.461188 0.04 Uiso 1 1 calc R U . . .
C29 C 0.1267(2) 0.36070(16) 0.51997(12) 0.0367(5) Uani 1 1 d . . . . .
H29A H 0.149429 0.417965 0.531386 0.044 Uiso 1 1 calc R U . . .
H29B H 0.06921 0.361502 0.478049 0.044 Uiso 1 1 calc R U . . .
C30 C 0.07943(19) 0.32219(18) 0.58343(13) 0.0377(5) Uani 1 1 d . . . . .
H30 H 0.013769 0.354603 0.5944 0.045 Uiso 1 1 calc R U . . .
C31 C 0.0437(2) 0.2335(2) 0.56532(15) 0.0456(6) Uani 1 1 d . . . . .
H31A H 0.01324 0.208353 0.606389 0.055 Uiso 1 1 calc R U . . .
H31B H -0.014959 0.233145 0.524067 0.055 Uiso 1 1 calc R U . . .
C32 C 0.1432(2) 0.18436(16) 0.54764(14) 0.0404(6) Uani 1 1 d . . . . .
H32 H 0.119492 0.126835 0.535396 0.048 Uiso 1 1 calc R U . . .
C33 C 0.23349(19) 0.18335(13) 0.61257(12) 0.0303(4) Uani 1 1 d . . . . .
H33A H 0.204169 0.156739 0.653422 0.036 Uiso 1 1 calc R U . . .
H33B H 0.298156 0.151303 0.60107 0.036 Uiso 1 1 calc R U . . .
C34 C 0.16887(17) 0.32243(15) 0.64897(11) 0.0290(4) Uani 1 1 d . . . . .
H34A H 0.192063 0.37949 0.660896 0.035 Uiso 1 1 calc R U . . .
H34B H 0.138007 0.298652 0.690491 0.035 Uiso 1 1 calc R U . . .
C35 C 0.1907(2) 0.22290(17) 0.48437(13) 0.0408(6) Uani 1 1 d . . . . .
H35A H 0.133826 0.222784 0.442117 0.049 Uiso 1 1 calc R U . . .
H35B H 0.255019 0.190492 0.472833 0.049 Uiso 1 1 calc R U . . .
F1 F 0.75960(15) 0.23939(14) 0.78525(16) 0.0824(8) Uani 1 1 d . . . . .
F2 F 0.9400(2) 0.21584(14) 0.87570(12) 0.0703(6) Uani 1 1 d . . . . .
F3 F 1.04246(13) 0.33094(11) 0.81238(12) 0.0571(5) Uani 1 1 d . . . . .
F4 F 0.8631(3) 0.35487(14) 0.72114(13) 0.0910(9) Uani 1 1 d . . . . .
F5 F 0.9488(2) 0.20696(12) 0.73792(13) 0.0679(6) Uani 1 1 d . . . . .
F6 F 0.85392(17) 0.36607(13) 0.85761(13) 0.0719(6) Uani 1 1 d . . . . .
N1 N 0.49780(14) 0.09660(10) 0.75671(10) 0.0255(3) Uani 1 1 d . . . . .
P1 P 0.38536(3) 0.26185(3) 0.70726(2) 0.01556(7) Uani 1 1 d . . . . .
Sb1 Sb 0.89997(2) 0.28563(2) 0.79822(2) 0.02925(3) Uani 1 1 d . . . . .
H10 H 0.686(2) 0.2712(19) 0.6024(16) 0.037(8) Uiso 1 1 d . . . . .
H9 H 0.736(3) 0.142(2) 0.6642(18) 0.048(9) Uiso 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
Au1 C9 2.1649(19) . ?
Au1 C10 2.179(2) . ?
Au1 P1 2.3339(4) . ?
Au1 N1 2.3652(17) . ?
C1 C2 1.404(2) . ?
C1 C6 1.406(2) . ?
C1 P1 1.8329(17) . ?
C2 C3 1.390(3) . ?
C2 H2 0.95 . ?
C3 C4 1.380(3) . ?
C3 H3 0.95 . ?
C4 C5 1.385(3) . ?
C4 H4 0.95 . ?
C5 C6 1.394(3) . ?
C5 H5 0.95 . ?
C6 N1 1.461(2) . ?
C7 N1 1.485(3) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.484(3) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C10 1.401(3) . ?
C9 C14 1.518(3) . ?
C9 H9 0.93(3) . ?
C10 C11 1.511(4) . ?
C10 H10 0.99(3) . ?
C11 C15 1.525(4) . ?
C11 C12 1.561(4) . ?
C11 H11 1 . ?
C12 C13 1.543(4) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C14 1.564(4) . ?
C13 H13A 0.99 . ?
C13 H13B 0.99 . ?
C14 C15 1.535(4) . ?
C14 H14 1 . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 C23 1.540(2) . ?
C16 C24 1.540(2) . ?
C16 C17 1.547(2) . ?
C16 P1 1.8713(16) . ?
C17 C18 1.536(3) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 C25 1.529(3) . ?
C18 C19 1.533(3) . ?
C18 H18 1 . ?
C19 C20 1.531(3) . ?
C19 H19A 0.99 . ?
C19 H19B 0.99 . ?
C20 C21 1.526(3) . ?
C20 C24 1.536(3) . ?
C20 H20 1 . ?
C21 C22 1.525(3) . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 C25 1.531(3) . ?
C22 C23 1.544(3) . ?
C22 H22 1 . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 H25A 0.99 . ?
C25 H25B 0.99 . ?
C26 C34 1.541(3) . ?
C26 C33 1.542(3) . ?
C26 C27 1.552(3) . ?
C26 P1 1.8708(18) . ?
C27 C28 1.532(3) . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 C35 1.529(3) . ?
C28 C29 1.532(4) . ?
C28 H28 1 . ?
C29 C30 1.528(4) . ?
C29 H29A 0.99 . ?
C29 H29B 0.99 . ?
C30 C31 1.536(4) . ?
C30 C34 1.545(3) . ?
C30 H30 1 . ?
C31 C32 1.522(4) . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 C35 1.526(4) . ?
C32 C33 1.543(3) . ?
C32 H32 1 . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
C34 H34A 0.99 . ?
C34 H34B 0.99 . ?
C35 H35A 0.99 . ?
C35 H35B 0.99 . ?
F1 Sb1 1.8536(18) . ?
F2 Sb1 1.872(2) . ?
F3 Sb1 1.8715(16) . ?
F4 Sb1 1.855(2) . ?
F5 Sb1 1.8616(18) . ?
F6 Sb1 1.8575(17) . ?

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
C9 Au1 C10 37.62(8) . . ?
C9 Au1 P1 172.23(6) . . ?
C10 Au1 P1 134.61(6) . . ?
C9 Au1 N1 104.82(7) . . ?
C10 Au1 N1 142.42(7) . . ?
P1 Au1 N1 82.95(4) . . ?
C2 C1 C6 118.09(16) . . ?
C2 C1 P1 121.58(13) . . ?
C6 C1 P1 120.28(13) . . ?
C3 C2 C1 121.40(17) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C4 C3 C2 119.80(19) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C3 C4 C5 119.85(19) . . ?
C3 C4 H4 120.1 . . ?
C5 C4 H4 120.1 . . ?
C4 C5 C6 121.04(19) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 119.77(17) . . ?
C5 C6 N1 118.92(17) . . ?
C1 C6 N1 121.25(16) . . ?
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 C14 106.36(19) . . ?
C10 C9 Au1 71.73(12) . . ?
C14 C9 Au1 116.42(15) . . ?
C10 C9 H9 122(2) . . ?
C14 C9 H9 124(2) . . ?
Au1 C9 H9 106(2) . . ?
C9 C10 C11 106.5(2) . . ?
C9 C10 Au1 70.65(12) . . ?
C11 C10 Au1 115.99(16) . . ?
C9 C10 H10 123.7(17) . . ?
C11 C10 H10 121.3(18) . . ?
Au1 C10 H10 108.4(18) . . ?
C10 C11 C15 102.28(19) . . ?
C10 C11 C12 103.8(2) . . ?
C15 C11 C12 100.1(2) . . ?
C10 C11 H11 116.1 . . ?
C15 C11 H11 116.1 . . ?
C12 C11 H11 116.1 . . ?
C13 C12 C11 103.0(2) . . ?
C13 C12 H12A 111.2 . . ?
C11 C12 H12A 111.2 . . ?
C13 C12 H12B 111.2 . . ?
C11 C12 H12B 111.2 . . ?
H12A C12 H12B 109.1 . . ?
C12 C13 C14 103.35(19) . . ?
C12 C13 H13A 111.1 . . ?
C14 C13 H13A 111.1 . . ?
C12 C13 H13B 111.1 . . ?
C14 C13 H13B 111.1 . . ?
H13A C13 H13B 109.1 . . ?
C9 C14 C15 101.61(18) . . ?
C9 C14 C13 103.6(2) . . ?
C15 C14 C13 99.9(2) . . ?
C9 C14 H14 116.4 . . ?
C15 C14 H14 116.4 . . ?
C13 C14 H14 116.4 . . ?
C11 C15 C14 95.0(2) . . ?
C11 C15 H15A 112.7 . . ?
C14 C15 H15A 112.7 . . ?
C11 C15 H15B 112.7 . . ?
C14 C15 H15B 112.7 . . ?
H15A C15 H15B 110.2 . . ?
C23 C16 C24 109.25(14) . . ?
C23 C16 C17 108.03(15) . . ?
C24 C16 C17 108.76(15) . . ?
C23 C16 P1 116.22(12) . . ?
C24 C16 P1 108.81(12) . . ?
C17 C16 P1 105.52(11) . . ?
C18 C17 C16 110.49(15) . . ?
C18 C17 H17A 109.6 . . ?
C16 C17 H17A 109.6 . . ?
C18 C17 H17B 109.6 . . ?
C16 C17 H17B 109.6 . . ?
H17A C17 H17B 108.1 . . ?
C25 C18 C19 110.15(17) . . ?
C25 C18 C17 109.71(17) . . ?
C19 C18 C17 108.75(18) . . ?
C25 C18 H18 109.4 . . ?
C19 C18 H18 109.4 . . ?
C17 C18 H18 109.4 . . ?
C20 C19 C18 109.43(16) . . ?
C20 C19 H19A 109.8 . . ?
C18 C19 H19A 109.8 . . ?
C20 C19 H19B 109.8 . . ?
C18 C19 H19B 109.8 . . ?
H19A C19 H19B 108.2 . . ?
C21 C20 C19 109.14(18) . . ?
C21 C20 C24 109.19(16) . . ?
C19 C20 C24 110.10(17) . . ?
C21 C20 H20 109.5 . . ?
C19 C20 H20 109.5 . . ?
C24 C20 H20 109.5 . . ?
C22 C21 C20 109.90(16) . . ?
C22 C21 H21A 109.7 . . ?
C20 C21 H21A 109.7 . . ?
C22 C21 H21B 109.7 . . ?
C20 C21 H21B 109.7 . . ?
H21A C21 H21B 108.2 . . ?
C21 C22 C25 109.66(17) . . ?
C21 C22 C23 110.03(16) . . ?
C25 C22 C23 109.42(16) . . ?
C21 C22 H22 109.2 . . ?
C25 C22 H22 109.2 . . ?
C23 C22 H22 109.2 . . ?
C16 C23 C22 109.65(14) . . ?
C16 C23 H23A 109.7 . . ?
C22 C23 H23A 109.7 . . ?
C16 C23 H23B 109.7 . . ?
C22 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
C20 C24 C16 109.95(15) . . ?
C20 C24 H24A 109.7 . . ?
C16 C24 H24A 109.7 . . ?
C20 C24 H24B 109.7 . . ?
C16 C24 H24B 109.7 . . ?
H24A C24 H24B 108.2 . . ?
C18 C25 C22 108.83(16) . . ?
C18 C25 H25A 109.9 . . ?
C22 C25 H25A 109.9 . . ?
C18 C25 H25B 109.9 . . ?
C22 C25 H25B 109.9 . . ?
H25A C25 H25B 108.3 . . ?
C34 C26 C33 109.85(17) . . ?
C34 C26 C27 108.63(16) . . ?
C33 C26 C27 107.63(16) . . ?
C34 C26 P1 115.97(13) . . ?
C33 C26 P1 105.69(12) . . ?
C27 C26 P1 108.76(12) . . ?
C28 C27 C26 110.24(17) . . ?
C28 C27 H27A 109.6 . . ?
C26 C27 H27A 109.6 . . ?
C28 C27 H27B 109.6 . . ?
C26 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
C35 C28 C29 109.4(2) . . ?
C35 C28 C27 109.31(19) . . ?
C29 C28 C27 109.77(18) . . ?
C35 C28 H28 109.5 . . ?
C29 C28 H28 109.5 . . ?
C27 C28 H28 109.5 . . ?
C30 C29 C28 109.58(19) . . ?
C30 C29 H29A 109.8 . . ?
C28 C29 H29A 109.8 . . ?
C30 C29 H29B 109.8 . . ?
C28 C29 H29B 109.8 . . ?
H29A C29 H29B 108.2 . . ?
C29 C30 C31 109.6(2) . . ?
C29 C30 C34 109.5(2) . . ?
C31 C30 C34 109.4(2) . . ?
C29 C30 H30 109.4 . . ?
C31 C30 H30 109.4 . . ?
C34 C30 H30 109.4 . . ?
C32 C31 C30 109.5(2) . . ?
C32 C31 H31A 109.8 . . ?
C30 C31 H31A 109.8 . . ?
C32 C31 H31B 109.8 . . ?
C30 C31 H31B 109.8 . . ?
H31A C31 H31B 108.2 . . ?
C31 C32 C35 110.0(2) . . ?
C31 C32 C33 109.7(2) . . ?
C35 C32 C33 109.1(2) . . ?
C31 C32 H32 109.3 . . ?
C35 C32 H32 109.3 . . ?
C33 C32 H32 109.3 . . ?
C26 C33 C32 109.89(17) . . ?
C26 C33 H33A 109.7 . . ?
C32 C33 H33A 109.7 . . ?
C26 C33 H33B 109.7 . . ?
C32 C33 H33B 109.7 . . ?
H33A C33 H33B 108.2 . . ?
C26 C34 C30 109.69(17) . . ?
C26 C34 H34A 109.7 . . ?
C30 C34 H34A 109.7 . . ?
C26 C34 H34B 109.7 . . ?
C30 C34 H34B 109.7 . . ?
H34A C34 H34B 108.2 . . ?
C32 C35 C28 109.5(2) . . ?
C32 C35 H35A 109.8 . . ?
C28 C35 H35A 109.8 . . ?
C32 C35 H35B 109.8 . . ?
C28 C35 H35B 109.8 . . ?
H35A C35 H35B 108.2 . . ?
C6 N1 C8 111.46(18) . . ?
C6 N1 C7 109.28(17) . . ?
C8 N1 C7 110.3(2) . . ?
C6 N1 Au1 112.78(11) . . ?
C8 N1 Au1 107.33(14) . . ?
C7 N1 Au1 105.52(14) . . ?
C1 P1 C26 108.58(8) . . ?
C1 P1 C16 105.14(8) . . ?
C26 P1 C16 114.90(8) . . ?
C1 P1 Au1 102.33(6) . . ?
C26 P1 Au1 111.39(6) . . ?
C16 P1 Au1 113.40(5) . . ?
F1 Sb1 F4 90.81(13) . . ?
F1 Sb1 F6 91.50(10) . . ?
F4 Sb1 F6 89.08(12) . . ?
F1 Sb1 F5 89.81(11) . . ?
F4 Sb1 F5 90.13(12) . . ?
F6 Sb1 F5 178.48(10) . . ?
F1 Sb1 F3 179.06(11) . . ?
F4 Sb1 F3 90.11(11) . . ?
F6 Sb1 F3 88.69(9) . . ?
F5 Sb1 F3 90.01(10) . . ?
F1 Sb1 F2 90.16(12) . . ?
F4 Sb1 F2 178.90(13) . . ?
F6 Sb1 F2 91.40(12) . . ?
F5 Sb1 F2 89.36(11) . . ?
F3 Sb1 F2 88.91(10) . . ?



# END of CIF



