#------------------------------------------------------------------------------
#$Date: 2021-04-29 03:59:35 +0300 (Thu, 29 Apr 2021) $
#$Revision: 264654 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562228.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1562228
loop_
_publ_author_name
'Rodriguez, Jessica'
'Tabey, Alexis'
'Ladeira, Sonia'
'Bourissou, Didier'
_publ_section_title
;
 Oxidative additions of alkynyl/vinyl iodides to gold and gold-catalyzed
 vinylation reactions triggered by the MeDalphos Ligand
;
_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D1SC01483H
_journal_year                    2021
_chemical_formula_moiety         'C36 H45 Au Cl N P, F6 Sb'
_chemical_formula_sum            'C36 H45 Au Cl F6 N P Sb'
_chemical_formula_weight         990.86
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     'dual space'
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2021-03-11 deposited with the CCDC.	2021-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.225(4)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   29.910(4)
_cell_length_b                   9.8604(14)
_cell_length_c                   28.710(4)
_cell_measurement_reflns_used    9837
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      27.26
_cell_measurement_theta_min      2.51
_cell_volume                     7389.5(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX3'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8-Venture Photon III detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0544
_diffrn_reflns_av_unetI/netI     0.0276
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       37
_diffrn_reflns_limit_h_min       -37
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       35
_diffrn_reflns_limit_l_min       -35
_diffrn_reflns_number            80974
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.372
_diffrn_reflns_theta_min         2.924
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    4.869
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6032
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             3872
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.060
_refine_diff_density_max         1.894
_refine_diff_density_min         -2.695
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.257
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     523
_refine_ls_number_reflns         7548
_refine_ls_number_restraints     255
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0573
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0087P)²+286.7380P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1355
_refine_ls_wR_factor_ref         0.1384
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6647
_reflns_number_total             7548
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc01483h2.cif
_cod_data_source_block           JRV619
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        7389.5(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1562228
_shelx_shelxl_version_number     2018/3
_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. 
;
_shelx_estimated_absorpt_t_min   0.510
_shelx_estimated_absorpt_t_max   0.759
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'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.36049(2) 0.27082(4) 0.56374(2) 0.02803(11) Uani 1 1 d . . . . .
Sb1 Sb 0.500000 0.98825(11) 0.750000 0.0377(2) Uani 1 2 d S T P . .
Cl1 Cl 0.32751(12) 0.0520(3) 0.55565(13) 0.0512(7) Uani 1 1 d . . . . .
P1 P 0.39352(8) 0.4850(3) 0.57406(9) 0.0226(5) Uani 1 1 d . . . . .
F1 F 0.500000 0.8022(12) 0.750000 0.080(4) Uani 1 2 d S T P . .
F2 F 0.4628(3) 0.9874(11) 0.6759(3) 0.080(3) Uani 1 1 d . . . . .
F3 F 0.5612(3) 0.9905(9) 0.7477(3) 0.068(2) Uani 1 1 d . . . . .
F4 F 0.500000 1.1770(11) 0.750000 0.066(3) Uani 1 2 d S T P . .
Sb2 Sb 0.2443(4) 0.3569(11) 0.2649(4) 0.0471(16) Uani 0.293(12) 1 d D U P A 1
F5 F 0.2858(9) 0.236(3) 0.2583(11) 0.064(5) Uani 0.293(12) 1 d D U P A 1
F6 F 0.2077(9) 0.472(3) 0.2769(10) 0.072(5) Uani 0.293(12) 1 d D U P A 1
F7 F 0.2180(10) 0.411(3) 0.1983(8) 0.063(5) Uani 0.293(12) 1 d D U P A 1
F8 F 0.2643(10) 0.295(3) 0.3263(8) 0.062(5) Uani 0.293(12) 1 d D U P A 1
F9 F 0.2948(8) 0.469(3) 0.2831(9) 0.057(5) Uani 0.293(12) 1 d D U P A 1
F10 F 0.1937(9) 0.256(3) 0.2484(11) 0.070(4) Uani 0.293(12) 1 d D U P A 1
Sb2' Sb 0.2402(6) 0.3252(19) 0.2581(6) 0.059(3) Uani 0.207(12) 1 d D U P A 2
F5' F 0.2779(13) 0.191(4) 0.2538(16) 0.071(6) Uani 0.207(12) 1 d D U P A 2
F6' F 0.1982(12) 0.444(4) 0.2590(15) 0.070(5) Uani 0.207(12) 1 d D U P A 2
F7' F 0.2296(14) 0.394(4) 0.1963(10) 0.060(5) Uani 0.207(12) 1 d D U P A 2
F8' F 0.2359(12) 0.254(4) 0.3076(11) 0.059(5) Uani 0.207(12) 1 d D U P A 2
F9' F 0.2947(10) 0.413(4) 0.2917(12) 0.059(5) Uani 0.207(12) 1 d D U P A 2
F10' F 0.1831(11) 0.239(4) 0.2252(14) 0.068(6) Uani 0.207(12) 1 d D U P A 2
N1 N 0.3324(3) 0.3298(9) 0.6157(3) 0.0288(18) Uani 1 1 d . . . . .
C1 C 0.3732(3) 0.5531(10) 0.6196(3) 0.027(2) Uani 1 1 d . . . . .
C2 C 0.3435(3) 0.4726(11) 0.6339(4) 0.029(2) Uani 1 1 d . . . . .
C3 C 0.3256(4) 0.5248(13) 0.6667(4) 0.037(3) Uani 1 1 d . . . . .
H3 H 0.306274 0.468795 0.677218 0.044 Uiso 1 1 calc R U . . .
C4 C 0.3357(4) 0.6557(13) 0.6839(4) 0.040(3) Uani 1 1 d . . . . .
H4 H 0.322169 0.691175 0.705176 0.048 Uiso 1 1 calc R U . . .
C5 C 0.3654(4) 0.7376(13) 0.6707(4) 0.040(3) Uani 1 1 d . . . . .
H5 H 0.372964 0.828235 0.683514 0.048 Uiso 1 1 calc R U . . .
C6 C 0.3839(4) 0.6862(11) 0.6390(4) 0.034(2) Uani 1 1 d . . . . .
H6 H 0.404396 0.742219 0.630001 0.040 Uiso 1 1 calc R U . . .
C7 C 0.2752(4) 0.3083(13) 0.5866(4) 0.042(3) Uani 1 1 d . . . . .
H7A H 0.261516 0.326430 0.610812 0.063 Uiso 1 1 calc R U . . .
H7B H 0.267578 0.214352 0.573957 0.063 Uiso 1 1 calc R U . . .
H7C H 0.259223 0.370106 0.556001 0.063 Uiso 1 1 calc R U . . .
C8 C 0.3573(4) 0.2383(13) 0.6637(4) 0.044(3) Uani 1 1 d . . . . .
H8A H 0.394645 0.246649 0.680302 0.065 Uiso 1 1 calc R U . . .
H8B H 0.347296 0.144113 0.652512 0.065 Uiso 1 1 calc R U . . .
H8C H 0.346287 0.264357 0.689425 0.065 Uiso 1 1 calc R U . . .
C9 C 0.4651(3) 0.4777(10) 0.6089(3) 0.0246(19) Uani 1 1 d . . . . .
C10 C 0.4899(4) 0.6033(11) 0.6435(4) 0.034(2) Uani 1 1 d . . . . .
H10A H 0.477593 0.614135 0.669659 0.041 Uiso 1 1 calc R U . . .
H10B H 0.480128 0.685354 0.620754 0.041 Uiso 1 1 calc R U . . .
C11 C 0.5492(4) 0.5865(13) 0.6733(4) 0.041(3) Uani 1 1 d . . . . .
H11 H 0.565438 0.668275 0.695969 0.050 Uiso 1 1 calc R U . . .
C12 C 0.5641(4) 0.4608(14) 0.7085(4) 0.048(3) Uani 1 1 d . . . . .
H12A H 0.601845 0.450430 0.727460 0.058 Uiso 1 1 calc R U . . .
H12B H 0.552845 0.470839 0.735481 0.058 Uiso 1 1 calc R U . . .
C13 C 0.5395(4) 0.3365(12) 0.6748(4) 0.039(3) Uani 1 1 d . . . . .
H13 H 0.549446 0.254262 0.698136 0.047 Uiso 1 1 calc R U . . .
C14 C 0.5578(4) 0.3216(12) 0.6341(5) 0.043(3) Uani 1 1 d . . . . .
H14A H 0.595475 0.309840 0.652768 0.051 Uiso 1 1 calc R U . . .
H14B H 0.542067 0.240109 0.611901 0.051 Uiso 1 1 calc R U . . .
C15 C 0.5432(4) 0.4465(12) 0.5987(4) 0.038(3) Uani 1 1 d . . . . .
H15 H 0.555972 0.435848 0.572476 0.045 Uiso 1 1 calc R U . . .
C16 C 0.4846(3) 0.4638(11) 0.5680(4) 0.030(2) Uani 1 1 d . . . . .
H16A H 0.468450 0.384196 0.544799 0.036 Uiso 1 1 calc R U . . .
H16B H 0.475315 0.545722 0.545245 0.036 Uiso 1 1 calc R U . . .
C17 C 0.5675(4) 0.5717(12) 0.6326(5) 0.040(3) Uani 1 1 d . . . . .
H17A H 0.557874 0.653166 0.609514 0.048 Uiso 1 1 calc R U . . .
H17B H 0.605315 0.563132 0.651146 0.048 Uiso 1 1 calc R U . . .
C18 C 0.4807(4) 0.3521(11) 0.6452(4) 0.035(2) Uani 1 1 d . . . . .
H18A H 0.464698 0.270202 0.623425 0.043 Uiso 1 1 calc R U . . .
H18B H 0.468442 0.361688 0.671382 0.043 Uiso 1 1 calc R U . . .
C19 C 0.3595(3) 0.5845(10) 0.5111(4) 0.027(2) Uani 1 1 d . . . . .
C20 C 0.3634(4) 0.5179(11) 0.4645(4) 0.031(2) Uani 1 1 d . . . . .
H20A H 0.399835 0.512096 0.473512 0.037 Uiso 1 1 calc R U . . .
H20B H 0.349393 0.424744 0.458636 0.037 Uiso 1 1 calc R U . . .
C21 C 0.3337(4) 0.6012(12) 0.4138(4) 0.037(2) Uani 1 1 d . . . . .
H21 H 0.337385 0.557919 0.384387 0.044 Uiso 1 1 calc R U . . .
C22 C 0.2771(4) 0.6030(12) 0.3983(4) 0.038(2) Uani 1 1 d . . . . .
H22A H 0.257320 0.655549 0.365017 0.046 Uiso 1 1 calc R U . . .
H22B H 0.263438 0.509326 0.392069 0.046 Uiso 1 1 calc R U . . .
C23 C 0.2717(4) 0.6672(12) 0.4430(4) 0.036(2) Uani 1 1 d . . . . .
H23 H 0.234618 0.668451 0.432963 0.043 Uiso 1 1 calc R U . . .
C24 C 0.2916(4) 0.8124(12) 0.4518(4) 0.040(3) Uani 1 1 d . . . . .
H24A H 0.287760 0.854672 0.480919 0.048 Uiso 1 1 calc R U . . .
H24B H 0.271540 0.866220 0.418919 0.048 Uiso 1 1 calc R U . . .
C25 C 0.3484(4) 0.8119(11) 0.4665(4) 0.036(2) Uani 1 1 d . . . . .
H25 H 0.361634 0.907082 0.472032 0.043 Uiso 1 1 calc R U . . .
C26 C 0.3793(4) 0.7294(10) 0.5182(4) 0.030(2) Uani 1 1 d . . . . .
H26A H 0.415920 0.728499 0.527722 0.036 Uiso 1 1 calc R U . . .
H26B H 0.376573 0.773083 0.547723 0.036 Uiso 1 1 calc R U . . .
C27 C 0.3546(4) 0.7452(11) 0.4222(4) 0.037(2) Uani 1 1 d . . . . .
H27A H 0.391269 0.743306 0.431954 0.044 Uiso 1 1 calc R U . . .
H27B H 0.335731 0.797801 0.388715 0.044 Uiso 1 1 calc R U . . .
C28 C 0.3013(3) 0.5876(12) 0.4943(4) 0.033(2) Uani 1 1 d . . . . .
H28A H 0.287909 0.493798 0.489167 0.039 Uiso 1 1 calc R U . . .
H28B H 0.296779 0.630245 0.522972 0.039 Uiso 1 1 calc R U . . .
C29 C 0.3877(4) 0.2159(11) 0.5164(4) 0.037(2) Uani 1 1 d . . . . .
C30 C 0.4026(4) 0.1780(11) 0.4869(4) 0.036(2) Uani 1 1 d . . . . .
C31 C 0.4204(5) 0.1368(11) 0.4506(5) 0.040(3) Uani 1 1 d . . . . .
C32 C 0.4724(5) 0.1341(12) 0.4672(5) 0.047(3) Uani 1 1 d . . . . .
H32 H 0.496662 0.161226 0.502367 0.057 Uiso 1 1 calc R U . . .
C33 C 0.4885(6) 0.0911(13) 0.4316(6) 0.058(4) Uani 1 1 d . . . . .
H33 H 0.524221 0.085910 0.443696 0.070 Uiso 1 1 calc R U . . .
C34 C 0.4551(6) 0.0558(14) 0.3798(6) 0.061(4) Uani 1 1 d . . . . .
H34 H 0.466786 0.029957 0.355655 0.073 Uiso 1 1 calc R U . . .
C35 C 0.4040(7) 0.0598(17) 0.3647(6) 0.078(5) Uani 1 1 d . . . . .
H35 H 0.379561 0.036872 0.329032 0.094 Uiso 1 1 calc R U . . .
C36 C 0.3871(5) 0.0968(16) 0.4003(5) 0.061(4) Uani 1 1 d . . . . .
H36 H 0.351505 0.093831 0.389043 0.074 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C29 Au1 N1 179.1(4) . . ?
C29 Au1 P1 92.6(3) . . ?
N1 Au1 P1 87.1(2) . . ?
C29 Au1 Cl1 88.5(3) . . ?
N1 Au1 Cl1 91.7(2) . . ?
P1 Au1 Cl1 178.47(10) . . ?
F1 Sb1 F2 89.7(3) . 2_656 ?
F1 Sb1 F2 89.7(3) . . ?
F2 Sb1 F2 179.5(7) 2_656 . ?
F1 Sb1 F4 180.000(10) . . ?
F2 Sb1 F4 90.3(3) 2_656 . ?
F2 Sb1 F4 90.3(3) . . ?
F1 Sb1 F3 90.7(3) . . ?
F2 Sb1 F3 89.5(4) 2_656 . ?
F2 Sb1 F3 90.5(4) . . ?
F4 Sb1 F3 89.3(3) . . ?
F1 Sb1 F3 90.7(3) . 2_656 ?
F2 Sb1 F3 90.5(4) 2_656 2_656 ?
F2 Sb1 F3 89.5(4) . 2_656 ?
F4 Sb1 F3 89.3(3) . 2_656 ?
F3 Sb1 F3 178.6(6) . 2_656 ?
C1 P1 C19 106.7(4) . . ?
C1 P1 C9 109.2(4) . . ?
C19 P1 C9 118.6(4) . . ?
C1 P1 Au1 99.1(3) . . ?
C19 P1 Au1 111.3(3) . . ?
C9 P1 Au1 110.0(3) . . ?
F10 Sb2 F8 83.6(13) . . ?
F10 Sb2 F6 82.7(13) . . ?
F8 Sb2 F6 88.0(12) . . ?
F10 Sb2 F9 176.5(13) . . ?
F8 Sb2 F9 96.0(12) . . ?
F6 Sb2 F9 93.9(12) . . ?
F10 Sb2 F7 90.5(12) . . ?
F8 Sb2 F7 174.2(13) . . ?
F6 Sb2 F7 91.6(11) . . ?
F9 Sb2 F7 89.9(11) . . ?
F10 Sb2 F5 98.7(13) . . ?
F8 Sb2 F5 87.6(12) . . ?
F6 Sb2 F5 175.3(11) . . ?
F9 Sb2 F5 84.8(11) . . ?
F7 Sb2 F5 92.9(11) . . ?
F8' Sb2' F9' 101.0(15) . . ?
F8' Sb2' F10' 77.7(14) . . ?
F9' Sb2' F10' 177.3(16) . . ?
F8' Sb2' F6' 85.1(14) . . ?
F9' Sb2' F6' 98.6(15) . . ?
F10' Sb2' F6' 79.0(14) . . ?
F8' Sb2' F7' 166.8(15) . . ?
F9' Sb2' F7' 91.5(14) . . ?
F10' Sb2' F7' 89.7(14) . . ?
F6' Sb2' F7' 88.8(14) . . ?
F8' Sb2' F5' 93.5(15) . . ?
F9' Sb2' F5' 87.3(14) . . ?
F10' Sb2' F5' 95.0(15) . . ?
F6' Sb2' F5' 174.0(16) . . ?
F7' Sb2' F5' 91.4(14) . . ?
C2 N1 C8 108.8(8) . . ?
C2 N1 C7 109.2(8) . . ?
C8 N1 C7 110.2(8) . . ?
C2 N1 Au1 114.2(6) . . ?
C8 N1 Au1 106.8(6) . . ?
C7 N1 Au1 107.7(6) . . ?
C2 C1 C6 118.1(9) . . ?
C2 C1 P1 119.1(8) . . ?
C6 C1 P1 122.7(8) . . ?
C3 C2 C1 120.0(10) . . ?
C3 C2 N1 119.7(9) . . ?
C1 C2 N1 120.3(8) . . ?
C4 C3 C2 120.4(10) . . ?
C4 C3 H3 119.8 . . ?
C2 C3 H3 119.8 . . ?
C3 C4 C5 120.9(10) . . ?
C3 C4 H4 119.6 . . ?
C5 C4 H4 119.6 . . ?
C6 C5 C4 119.1(11) . . ?
C6 C5 H5 120.5 . . ?
C4 C5 H5 120.5 . . ?
C5 C6 C1 121.5(10) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C18 108.7(8) . . ?
C10 C9 C16 108.8(8) . . ?
C18 C9 C16 109.9(8) . . ?
C10 C9 P1 112.3(7) . . ?
C18 C9 P1 106.4(6) . . ?
C16 C9 P1 110.8(6) . . ?
C9 C10 C11 109.3(9) . . ?
C9 C10 H10A 109.8 . . ?
C11 C10 H10A 109.8 . . ?
C9 C10 H10B 109.8 . . ?
C11 C10 H10B 109.8 . . ?
H10A C10 H10B 108.3 . . ?
C12 C11 C17 109.4(10) . . ?
C12 C11 C10 109.8(9) . . ?
C17 C11 C10 109.2(9) . . ?
C12 C11 H11 109.5 . . ?
C17 C11 H11 109.5 . . ?
C10 C11 H11 109.5 . . ?
C13 C12 C11 110.1(9) . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12B 109.6 . . ?
C11 C12 H12B 109.6 . . ?
H12A C12 H12B 108.2 . . ?
C12 C13 C14 108.9(10) . . ?
C12 C13 C18 109.8(10) . . ?
C14 C13 C18 109.1(9) . . ?
C12 C13 H13 109.7 . . ?
C14 C13 H13 109.7 . . ?
C18 C13 H13 109.7 . . ?
C15 C14 C13 110.1(9) . . ?
C15 C14 H14A 109.6 . . ?
C13 C14 H14A 109.6 . . ?
C15 C14 H14B 109.6 . . ?
C13 C14 H14B 109.6 . . ?
H14A C14 H14B 108.2 . . ?
C14 C15 C17 109.8(9) . . ?
C14 C15 C16 110.3(8) . . ?
C17 C15 C16 109.3(9) . . ?
C14 C15 H15 109.2 . . ?
C17 C15 H15 109.2 . . ?
C16 C15 H15 109.2 . . ?
C15 C16 C9 108.8(8) . . ?
C15 C16 H16A 109.9 . . ?
C9 C16 H16A 109.9 . . ?
C15 C16 H16B 109.9 . . ?
C9 C16 H16B 109.9 . . ?
H16A C16 H16B 108.3 . . ?
C15 C17 C11 109.4(9) . . ?
C15 C17 H17A 109.8 . . ?
C11 C17 H17A 109.8 . . ?
C15 C17 H17B 109.8 . . ?
C11 C17 H17B 109.8 . . ?
H17A C17 H17B 108.3 . . ?
C9 C18 C13 110.0(8) . . ?
C9 C18 H18A 109.7 . . ?
C13 C18 H18A 109.7 . . ?
C9 C18 H18B 109.7 . . ?
C13 C18 H18B 109.7 . . ?
H18A C18 H18B 108.2 . . ?
C26 C19 C20 109.1(8) . . ?
C26 C19 C28 109.0(8) . . ?
C20 C19 C28 106.6(8) . . ?
C26 C19 P1 111.8(6) . . ?
C20 C19 P1 112.4(7) . . ?
C28 C19 P1 107.8(6) . . ?
C21 C20 C19 110.0(8) . . ?
C21 C20 H20A 109.7 . . ?
C19 C20 H20A 109.7 . . ?
C21 C20 H20B 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C20 C21 C27 110.4(9) . . ?
C20 C21 C22 109.4(8) . . ?
C27 C21 C22 110.3(9) . . ?
C20 C21 H21 108.9 . . ?
C27 C21 H21 108.9 . . ?
C22 C21 H21 108.9 . . ?
C23 C22 C21 108.7(8) . . ?
C23 C22 H22A 109.9 . . ?
C21 C22 H22A 109.9 . . ?
C23 C22 H22B 109.9 . . ?
C21 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C22 C23 C28 110.8(9) . . ?
C22 C23 C24 109.9(9) . . ?
C28 C23 C24 109.2(9) . . ?
C22 C23 H23 109.0 . . ?
C28 C23 H23 109.0 . . ?
C24 C23 H23 109.0 . . ?
C23 C24 C25 109.5(9) . . ?
C23 C24 H24A 109.8 . . ?
C25 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
C25 C24 H24B 109.8 . . ?
H24A C24 H24B 108.2 . . ?
C27 C25 C24 109.9(9) . . ?
C27 C25 C26 108.4(8) . . ?
C24 C25 C26 109.2(8) . . ?
C27 C25 H25 109.8 . . ?
C24 C25 H25 109.8 . . ?
C26 C25 H25 109.8 . . ?
C19 C26 C25 110.8(8) . . ?
C19 C26 H26A 109.5 . . ?
C25 C26 H26A 109.5 . . ?
C19 C26 H26B 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 108.1 . . ?
C25 C27 C21 109.0(8) . . ?
C25 C27 H27A 109.9 . . ?
C21 C27 H27A 109.9 . . ?
C25 C27 H27B 109.9 . . ?
C21 C27 H27B 109.9 . . ?
H27A C27 H27B 108.3 . . ?
C23 C28 C19 110.1(8) . . ?
C23 C28 H28A 109.6 . . ?
C19 C28 H28A 109.6 . . ?
C23 C28 H28B 109.6 . . ?
C19 C28 H28B 109.6 . . ?
H28A C28 H28B 108.2 . . ?
C30 C29 Au1 177.0(10) . . ?
C29 C30 C31 178.1(12) . . ?
C36 C31 C32 118.5(11) . . ?
C36 C31 C30 121.1(11) . . ?
C32 C31 C30 120.4(11) . . ?
C31 C32 C33 119.1(12) . . ?
C31 C32 H32 120.5 . . ?
C33 C32 H32 120.5 . . ?
C34 C33 C32 123.0(14) . . ?
C34 C33 H33 118.5 . . ?
C32 C33 H33 118.5 . . ?
C35 C34 C33 116.4(12) . . ?
C35 C34 H34 121.8 . . ?
C33 C34 H34 121.8 . . ?
C34 C35 C36 121.6(14) . . ?
C34 C35 H35 119.2 . . ?
C36 C35 H35 119.2 . . ?
C31 C36 C35 121.3(13) . . ?
C31 C36 H36 119.4 . . ?
C35 C36 H36 119.4 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C29 1.971(11) . ?
Au1 N1 2.121(8) . ?
Au1 P1 2.289(2) . ?
Au1 Cl1 2.337(3) . ?
Sb1 F1 1.835(12) . ?
Sb1 F2 1.858(7) 2_656 ?
Sb1 F2 1.858(7) . ?
Sb1 F4 1.861(11) . ?
Sb1 F3 1.864(7) . ?
Sb1 F3 1.864(7) 2_656 ?
P1 C1 1.817(9) . ?
P1 C19 1.863(10) . ?
P1 C9 1.871(9) . ?
Sb2 F10 1.68(2) . ?
Sb2 F8 1.675(19) . ?
Sb2 F6 1.72(2) . ?
Sb2 F9 1.73(2) . ?
Sb2 F7 1.757(18) . ?
Sb2 F5 1.80(2) . ?
Sb2' F8' 1.65(2) . ?
Sb2' F9' 1.68(2) . ?
Sb2' F10' 1.72(2) . ?
Sb2' F6' 1.73(2) . ?
Sb2' F7' 1.78(2) . ?
Sb2' F5' 1.78(2) . ?
N1 C2 1.482(14) . ?
N1 C8 1.505(13) . ?
N1 C7 1.508(12) . ?
C1 C2 1.393(13) . ?
C1 C6 1.401(15) . ?
C2 C3 1.390(13) . ?
C3 C4 1.362(17) . ?
C3 H3 0.9500 . ?
C4 C5 1.383(16) . ?
C4 H4 0.9500 . ?
C5 C6 1.372(14) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C10 1.533(14) . ?
C9 C18 1.537(13) . ?
C9 C16 1.548(12) . ?
C10 C11 1.557(14) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.521(17) . ?
C11 C17 1.523(15) . ?
C11 H11 1.0000 . ?
C12 C13 1.512(17) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.520(15) . ?
C13 C18 1.542(14) . ?
C13 H13 1.0000 . ?
C14 C15 1.519(15) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C17 1.520(16) . ?
C15 C16 1.541(13) . ?
C15 H15 1.0000 . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C26 1.522(14) . ?
C19 C20 1.544(12) . ?
C19 C28 1.565(12) . ?
C20 C21 1.522(14) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C27 1.523(16) . ?
C21 C22 1.527(14) . ?
C21 H21 1.0000 . ?
C22 C23 1.506(15) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C28 1.517(14) . ?
C23 C24 1.524(16) . ?
C23 H23 1.0000 . ?
C24 C25 1.538(14) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C27 1.523(14) . ?
C25 C26 1.542(14) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.191(15) . ?
C30 C31 1.441(15) . ?
C31 C36 1.352(17) . ?
C31 C32 1.387(17) . ?
C32 C33 1.393(17) . ?
C32 H32 0.9500 . ?
C33 C34 1.37(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.37(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(18) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
