#------------------------------------------------------------------------------
#$Date: 2021-04-29 03:59:35 +0300 (Thu, 29 Apr 2021) $
#$Revision: 264654 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562230.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_1562230
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         'C33 H47 Au Cl N O2 P, F6 Sb'
_chemical_formula_sum            'C33 H47 Au Cl F6 N O2 P Sb'
_chemical_formula_weight         988.87
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_update_record
;
2021-03-11 deposited with the CCDC.	2021-04-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 106.770(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.7524(11)
_cell_length_b                   25.856(3)
_cell_length_c                   14.5514(17)
_cell_measurement_reflns_used    9921
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.57
_cell_measurement_theta_min      2.69
_cell_volume                     3513.2(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker Kappa APEX II Quazar'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  'multilayer optics'
_diffrn_radiation_source         'microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1249
_diffrn_reflns_av_unetI/netI     0.0672
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       40
_diffrn_reflns_limit_k_min       -40
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            152578
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         34.381
_diffrn_reflns_theta_min         2.149
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.125
_exptl_absorpt_correction_T_max  0.7468
_exptl_absorpt_correction_T_min  0.6331
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.87
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.556
_refine_diff_density_min         -2.18
_refine_diff_density_rms         0.218
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.03
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     448
_refine_ls_number_reflns         14636
_refine_ls_number_restraints     77
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.0796
_refine_ls_R_factor_gt           0.0395
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0255P)²+2.4900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0686
_refine_ls_wR_factor_ref         0.0805
_reflns_Friedel_coverage         0
_reflns_number_gt                9988
_reflns_number_total             14636
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc01483h2.cif
_cod_data_source_block           JRV616
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1562230
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'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3178(4) 0.29082(13) 0.5433(3) 0.0198(7) Uani 1 1 d . . . . .
C2 C 0.2131(4) 0.25193(14) 0.5279(3) 0.0274(8) Uani 1 1 d . . . . .
H2 H 0.117835 0.260837 0.525999 0.033 Uiso 1 1 calc R U . . .
C3 C 0.2463(4) 0.20095(14) 0.5155(3) 0.0308(9) Uani 1 1 d . . . . .
H3 H 0.173987 0.175118 0.503631 0.037 Uiso 1 1 calc R U . . .
C4 C 0.3862(5) 0.18786(14) 0.5204(3) 0.0349(10) Uani 1 1 d . . . . .
H4 H 0.409926 0.152711 0.513596 0.042 Uiso 1 1 calc R U . . .
C5 C 0.4908(4) 0.22496(14) 0.5351(3) 0.0300(9) Uani 1 1 d . . . . .
H5 H 0.586252 0.215517 0.538575 0.036 Uiso 1 1 calc R U . . .
C6 C 0.4565(4) 0.27642(13) 0.5449(3) 0.0217(7) Uani 1 1 d . . . . .
C7 C 0.6890(4) 0.30620(16) 0.6451(3) 0.0356(10) Uani 1 1 d . . . . .
H7A H 0.651314 0.307055 0.700675 0.053 Uiso 1 1 calc R U . . .
H7B H 0.762759 0.332872 0.652394 0.053 Uiso 1 1 calc R U . . .
H7C H 0.730815 0.272136 0.640931 0.053 Uiso 1 1 calc R U . . .
C8 C 0.6244(5) 0.31324(17) 0.4690(3) 0.0386(10) Uani 1 1 d . . . . .
H8A H 0.665767 0.278939 0.466231 0.058 Uiso 1 1 calc R U . . .
H8B H 0.698173 0.339709 0.474115 0.058 Uiso 1 1 calc R U . . .
H8C H 0.545505 0.319094 0.410594 0.058 Uiso 1 1 calc R U . . .
C9 C 0.1422(4) 0.38058(13) 0.4484(2) 0.0188(6) Uani 1 1 d . . . . .
C10 C 0.1825(4) 0.35659(16) 0.3624(3) 0.0286(8) Uani 1 1 d . . . . .
H10A H 0.280574 0.367355 0.364067 0.034 Uiso 1 1 calc R U . . .
H10B H 0.180806 0.318394 0.366693 0.034 Uiso 1 1 calc R U . . .
C11 C 0.0763(4) 0.37440(18) 0.2684(3) 0.0330(9) Uani 1 1 d . . . . .
H11 H 0.102014 0.358331 0.213073 0.04 Uiso 1 1 calc R U . . .
C12 C -0.0747(4) 0.35803(17) 0.2661(3) 0.0331(9) Uani 1 1 d . . . . .
H12A H -0.079 0.319898 0.270608 0.04 Uiso 1 1 calc R U . . .
H12B H -0.142922 0.368826 0.204458 0.04 Uiso 1 1 calc R U . . .
C13 C -0.1173(4) 0.38257(16) 0.3491(3) 0.0292(9) Uani 1 1 d . . . . .
H13 H -0.216707 0.371603 0.346381 0.035 Uiso 1 1 calc R U . . .
C14 C -0.1116(4) 0.44120(17) 0.3423(3) 0.0328(9) Uani 1 1 d . . . . .
H14A H -0.137822 0.457156 0.396699 0.039 Uiso 1 1 calc R U . . .
H14B H -0.180705 0.453116 0.281853 0.039 Uiso 1 1 calc R U . . .
C15 C 0.0409(4) 0.45760(17) 0.3445(3) 0.0347(10) Uani 1 1 d . . . . .
H15 H 0.044881 0.496125 0.339828 0.042 Uiso 1 1 calc R U . . .
C16 C 0.1476(4) 0.43985(14) 0.4391(3) 0.0278(8) Uani 1 1 d . . . . .
H16A H 0.12355 0.456336 0.493885 0.033 Uiso 1 1 calc R U . . .
H16B H 0.245645 0.450663 0.440676 0.033 Uiso 1 1 calc R U . . .
C17 C 0.0815(5) 0.43349(18) 0.2606(3) 0.0383(11) Uani 1 1 d . . . . .
H17A H 0.179126 0.44458 0.261649 0.046 Uiso 1 1 calc R U . . .
H17B H 0.01395 0.445051 0.199255 0.046 Uiso 1 1 calc R U . . .
C18 C -0.0125(4) 0.36462(15) 0.4448(3) 0.0241(7) Uani 1 1 d . . . . .
H18A H -0.018017 0.32658 0.450612 0.029 Uiso 1 1 calc R U . . .
H18B H -0.038975 0.380582 0.499132 0.029 Uiso 1 1 calc R U . . .
C19 C 0.2274(4) 0.36174(13) 0.6747(2) 0.0196(7) Uani 1 1 d . . . . .
C20 C 0.1073(4) 0.32352(14) 0.6806(3) 0.0243(7) Uani 1 1 d . . . . .
H20A H 0.018584 0.331174 0.628688 0.029 Uiso 1 1 calc R U . . .
H20B H 0.136767 0.287641 0.671931 0.029 Uiso 1 1 calc R U . . .
C21 C 0.0787(4) 0.32879(16) 0.7787(3) 0.0303(9) Uani 1 1 d . . . . .
H21 H 0.000414 0.304438 0.781551 0.036 Uiso 1 1 calc R U . . .
C22 C 0.0341(4) 0.38386(17) 0.7942(3) 0.0339(9) Uani 1 1 d . . . . .
H22A H 0.015374 0.386567 0.857372 0.041 Uiso 1 1 calc R U . . .
H22B H -0.054829 0.393041 0.743775 0.041 Uiso 1 1 calc R U . . .
C23 C 0.1557(5) 0.42122(16) 0.7902(3) 0.0301(8) Uani 1 1 d . . . . .
H23 H 0.127142 0.457445 0.800302 0.036 Uiso 1 1 calc R U . . .
C24 C 0.2934(5) 0.40758(17) 0.8678(3) 0.0339(9) Uani 1 1 d . . . . .
H24A H 0.278635 0.411395 0.931962 0.041 Uiso 1 1 calc R U . . .
H24B H 0.371018 0.431404 0.863939 0.041 Uiso 1 1 calc R U . . .
C25 C 0.3357(4) 0.35187(17) 0.8537(3) 0.0336(9) Uani 1 1 d . . . . .
H25 H 0.424766 0.342804 0.905499 0.04 Uiso 1 1 calc R U . . .
C26 C 0.3643(4) 0.34679(15) 0.7553(3) 0.0272(8) Uani 1 1 d . . . . .
H26A H 0.391859 0.310763 0.74581 0.033 Uiso 1 1 calc R U . . .
H26B H 0.444298 0.369818 0.752803 0.033 Uiso 1 1 calc R U . . .
C27 C 0.1805(4) 0.41697(14) 0.6907(3) 0.0247(7) Uani 1 1 d . . . . .
H27A H 0.091024 0.42569 0.640369 0.03 Uiso 1 1 calc R U . . .
H27B H 0.255348 0.441873 0.686139 0.03 Uiso 1 1 calc R U . . .
C28 C 0.2161(5) 0.31446(17) 0.8578(3) 0.0345(9) Uani 1 1 d . . . . .
H28A H 0.198772 0.31655 0.921412 0.041 Uiso 1 1 calc R U . . .
H28B H 0.244581 0.278569 0.84816 0.041 Uiso 1 1 calc R U . . .
C29 C 0.4552(4) 0.46753(13) 0.6049(3) 0.0274(8) Uani 1 1 d . . . . .
H29 H 0.388832 0.486836 0.556382 0.033 Uiso 1 1 calc R U . . .
C30 C 0.5119(4) 0.49004(15) 0.6882(3) 0.0311(9) Uani 1 1 d . . . . .
H30 H 0.487174 0.525048 0.695333 0.037 Uiso 1 1 calc R U . . .
C31 C 0.6115(5) 0.46427(18) 0.7712(3) 0.0400(10) Uani 1 1 d D . . . .
O2 O 0.6679(8) 0.4997(2) 0.8420(4) 0.0486(16) Uani 0.680(10) 1 d D U P A 1
C32 C 0.7763(10) 0.4820(4) 0.9271(6) 0.062(2) Uani 0.680(10) 1 d D U P A 1
H32A H 0.837899 0.511462 0.957014 0.074 Uiso 0.680(10) 1 calc R U P A 1
H32B H 0.837537 0.455752 0.908747 0.074 Uiso 0.680(10) 1 calc R U P A 1
C33 C 0.7101(11) 0.4593(4) 0.9974(7) 0.071(3) Uani 0.680(10) 1 d D U P A 1
H33A H 0.652156 0.48557 1.017336 0.107 Uiso 0.680(10) 1 calc R U P A 1
H33B H 0.785352 0.447072 1.053588 0.107 Uiso 0.680(10) 1 calc R U P A 1
H33C H 0.648934 0.430141 0.96782 0.107 Uiso 0.680(10) 1 calc R U P A 1
O2' O 0.6100(16) 0.4916(6) 0.8528(8) 0.053(3) Uani 0.320(10) 1 d D U P A 2
C32' C 0.6955(19) 0.4710(8) 0.9436(12) 0.062(3) Uani 0.320(10) 1 d D U P A 2
H32C H 0.686952 0.432828 0.942198 0.074 Uiso 0.320(10) 1 calc R U P A 2
H32D H 0.65721 0.483944 0.995356 0.074 Uiso 0.320(10) 1 calc R U P A 2
C33' C 0.848(2) 0.4851(10) 0.9661(16) 0.084(5) Uani 0.320(10) 1 d D U P A 2
H33D H 0.885962 0.473041 0.914513 0.126 Uiso 0.320(10) 1 calc R U P A 2
H33E H 0.90112 0.468893 1.026743 0.126 Uiso 0.320(10) 1 calc R U P A 2
H33F H 0.857653 0.52277 0.971945 0.126 Uiso 0.320(10) 1 calc R U P A 2
N1 N 0.5691(3) 0.31628(11) 0.5549(2) 0.0222(6) Uani 1 1 d . . . . .
O1 O 0.6521(3) 0.42024(12) 0.7748(2) 0.0412(7) Uani 1 1 d . . . . .
F1 F 0.9122(3) 0.21425(10) 0.57328(17) 0.0386(6) Uani 1 1 d . . . . .
F2 F 0.7687(3) 0.13256(11) 0.60327(19) 0.0450(7) Uani 1 1 d . . . . .
F3 F 0.9749(3) 0.11300(9) 0.7657(2) 0.0464(7) Uani 1 1 d . . . . .
F4 F 1.1187(3) 0.19469(9) 0.73223(19) 0.0414(6) Uani 1 1 d . . . . .
F5 F 1.0377(3) 0.12140(11) 0.5990(2) 0.0490(7) Uani 1 1 d . . . . .
F6 F 0.8518(3) 0.20378(9) 0.73789(18) 0.0390(6) Uani 1 1 d . . . . .
P1 P 0.27831(9) 0.35821(3) 0.56057(7) 0.01710(17) Uani 1 1 d . . . . .
Sb1 Sb 0.94499(3) 0.16242(2) 0.66831(2) 0.02446(6) Uani 1 1 d . . . . .
Au1 Au 0.50006(2) 0.39452(2) 0.57338(2) 0.01868(4) Uani 1 1 d . . . . .
Cl1 Cl 0.71821(10) 0.42927(4) 0.56290(8) 0.0321(2) Uani 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C6 C1 C2 117.9(3) . . ?
C6 C1 P1 119.8(3) . . ?
C2 C1 P1 122.4(3) . . ?
C3 C2 C1 121.2(4) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C2 C3 C4 119.3(4) . . ?
C2 C3 H3 120.3 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 120.9(4) . . ?
C5 C4 H4 119.6 . . ?
C3 C4 H4 119.6 . . ?
C4 C5 C6 119.7(4) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C5 C6 C1 120.9(3) . . ?
C5 C6 N1 118.9(3) . . ?
C1 C6 N1 120.2(3) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C16 C9 C10 107.8(3) . . ?
C16 C9 C18 108.6(3) . . ?
C10 C9 C18 109.8(3) . . ?
C16 C9 P1 110.5(2) . . ?
C10 C9 P1 107.5(2) . . ?
C18 C9 P1 112.6(2) . . ?
C11 C10 C9 109.8(3) . . ?
C11 C10 H10A 109.7 . . ?
C9 C10 H10A 109.7 . . ?
C11 C10 H10B 109.7 . . ?
C9 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C12 C11 C10 109.7(3) . . ?
C12 C11 C17 109.1(3) . . ?
C10 C11 C17 109.7(3) . . ?
C12 C11 H11 109.4 . . ?
C10 C11 H11 109.4 . . ?
C17 C11 H11 109.4 . . ?
C11 C12 C13 110.5(3) . . ?
C11 C12 H12A 109.6 . . ?
C13 C12 H12A 109.6 . . ?
C11 C12 H12B 109.6 . . ?
C13 C12 H12B 109.6 . . ?
H12A C12 H12B 108.1 . . ?
C14 C13 C12 109.8(3) . . ?
C14 C13 C18 109.4(3) . . ?
C12 C13 C18 109.2(3) . . ?
C14 C13 H13 109.5 . . ?
C12 C13 H13 109.5 . . ?
C18 C13 H13 109.5 . . ?
C13 C14 C15 109.1(3) . . ?
C13 C14 H14A 109.9 . . ?
C15 C14 H14A 109.9 . . ?
C13 C14 H14B 109.9 . . ?
C15 C14 H14B 109.9 . . ?
H14A C14 H14B 108.3 . . ?
C17 C15 C16 109.3(3) . . ?
C17 C15 C14 110.1(3) . . ?
C16 C15 C14 109.7(3) . . ?
C17 C15 H15 109.2 . . ?
C16 C15 H15 109.2 . . ?
C14 C15 H15 109.2 . . ?
C15 C16 C9 110.1(3) . . ?
C15 C16 H16A 109.6 . . ?
C9 C16 H16A 109.6 . . ?
C15 C16 H16B 109.6 . . ?
C9 C16 H16B 109.6 . . ?
H16A C16 H16B 108.2 . . ?
C15 C17 C11 109.1(3) . . ?
C15 C17 H17A 109.9 . . ?
C11 C17 H17A 109.9 . . ?
C15 C17 H17B 109.9 . . ?
C11 C17 H17B 109.9 . . ?
H17A C17 H17B 108.3 . . ?
C13 C18 C9 109.6(3) . . ?
C13 C18 H18A 109.8 . . ?
C9 C18 H18A 109.8 . . ?
C13 C18 H18B 109.8 . . ?
C9 C18 H18B 109.8 . . ?
H18A C18 H18B 108.2 . . ?
C27 C19 C26 110.2(3) . . ?
C27 C19 C20 108.7(3) . . ?
C26 C19 C20 107.4(3) . . ?
C27 C19 P1 110.3(2) . . ?
C26 C19 P1 105.6(2) . . ?
C20 C19 P1 114.6(2) . . ?
C21 C20 C19 109.7(3) . . ?
C21 C20 H20A 109.7 . . ?
C19 C20 H20A 109.7 . . ?
C21 C20 H20B 109.7 . . ?
C19 C20 H20B 109.7 . . ?
H20A C20 H20B 108.2 . . ?
C22 C21 C20 110.9(3) . . ?
C22 C21 C28 109.8(3) . . ?
C20 C21 C28 108.7(3) . . ?
C22 C21 H21 109.1 . . ?
C20 C21 H21 109.1 . . ?
C28 C21 H21 109.1 . . ?
C21 C22 C23 108.9(3) . . ?
C21 C22 H22A 109.9 . . ?
C23 C22 H22A 109.9 . . ?
C21 C22 H22B 109.9 . . ?
C23 C22 H22B 109.9 . . ?
H22A C22 H22B 108.3 . . ?
C24 C23 C27 109.6(3) . . ?
C24 C23 C22 110.4(3) . . ?
C27 C23 C22 108.8(3) . . ?
C24 C23 H23 109.3 . . ?
C27 C23 H23 109.3 . . ?
C22 C23 H23 109.3 . . ?
C23 C24 C25 109.4(3) . . ?
C23 C24 H24A 109.8 . . ?
C25 C24 H24A 109.8 . . ?
C23 C24 H24B 109.8 . . ?
C25 C24 H24B 109.8 . . ?
H24A C24 H24B 108.2 . . ?
C24 C25 C28 110.7(4) . . ?
C24 C25 C26 109.4(3) . . ?
C28 C25 C26 109.1(3) . . ?
C24 C25 H25 109.2 . . ?
C28 C25 H25 109.2 . . ?
C26 C25 H25 109.2 . . ?
C25 C26 C19 109.5(3) . . ?
C25 C26 H26A 109.8 . . ?
C19 C26 H26A 109.8 . . ?
C25 C26 H26B 109.8 . . ?
C19 C26 H26B 109.8 . . ?
H26A C26 H26B 108.2 . . ?
C19 C27 C23 110.1(3) . . ?
C19 C27 H27A 109.6 . . ?
C23 C27 H27A 109.6 . . ?
C19 C27 H27B 109.6 . . ?
C23 C27 H27B 109.6 . . ?
H27A C27 H27B 108.2 . . ?
C25 C28 C21 109.2(3) . . ?
C25 C28 H28A 109.8 . . ?
C21 C28 H28A 109.8 . . ?
C25 C28 H28B 109.8 . . ?
C21 C28 H28B 109.8 . . ?
H28A C28 H28B 108.3 . . ?
C30 C29 Au1 124.2(3) . . ?
C30 C29 H29 117.9 . . ?
Au1 C29 H29 117.9 . . ?
C29 C30 C31 123.9(4) . . ?
C29 C30 H30 118 . . ?
C31 C30 H30 118 . . ?
O1 C31 O2 123.0(5) . . ?
O1 C31 O2' 122.1(8) . . ?
O1 C31 C30 126.5(4) . . ?
O2 C31 C30 109.9(4) . . ?
O2' C31 C30 107.7(7) . . ?
C31 O2 C32 117.8(6) . . ?
O2 C32 C33 111.1(8) . . ?
O2 C32 H32A 109.4 . . ?
C33 C32 H32A 109.4 . . ?
O2 C32 H32B 109.4 . . ?
C33 C32 H32B 109.4 . . ?
H32A C32 H32B 108 . . ?
C32 C33 H33A 109.5 . . ?
C32 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C32 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C31 O2' C32' 116.7(13) . . ?
O2' C32' C33' 113.0(16) . . ?
O2' C32' H32C 109 . . ?
C33' C32' H32C 109 . . ?
O2' C32' H32D 109 . . ?
C33' C32' H32D 109 . . ?
H32C C32' H32D 107.8 . . ?
C32' C33' H33D 109.5 . . ?
C32' C33' H33E 109.5 . . ?
H33D C33' H33E 109.5 . . ?
C32' C33' H33F 109.5 . . ?
H33D C33' H33F 109.5 . . ?
H33E C33' H33F 109.5 . . ?
C6 N1 C8 108.5(3) . . ?
C6 N1 C7 109.4(3) . . ?
C8 N1 C7 110.0(3) . . ?
C6 N1 Au1 114.4(2) . . ?
C8 N1 Au1 110.5(2) . . ?
C7 N1 Au1 104.1(2) . . ?
C1 P1 C19 106.91(16) . . ?
C1 P1 C9 107.49(16) . . ?
C19 P1 C9 117.16(15) . . ?
C1 P1 Au1 99.76(11) . . ?
C19 P1 Au1 112.98(11) . . ?
C9 P1 Au1 110.81(11) . . ?
F5 Sb1 F3 91.56(13) . . ?
F5 Sb1 F2 90.58(13) . . ?
F3 Sb1 F2 91.21(13) . . ?
F5 Sb1 F4 90.66(12) . . ?
F3 Sb1 F4 90.41(12) . . ?
F2 Sb1 F4 177.94(12) . . ?
F5 Sb1 F6 179.89(12) . . ?
F3 Sb1 F6 88.53(11) . . ?
F2 Sb1 F6 89.47(12) . . ?
F4 Sb1 F6 89.29(12) . . ?
F5 Sb1 F1 90.78(12) . . ?
F3 Sb1 F1 177.62(12) . . ?
F2 Sb1 F1 89.18(12) . . ?
F4 Sb1 F1 89.15(11) . . ?
F6 Sb1 F1 89.12(11) . . ?
C29 Au1 N1 173.28(14) . . ?
C29 Au1 P1 97.97(10) . . ?
N1 Au1 P1 85.87(8) . . ?
C29 Au1 Cl1 85.24(11) . . ?
N1 Au1 Cl1 91.68(8) . . ?
P1 Au1 Cl1 171.88(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.396(5) . ?
C1 C2 1.404(5) . ?
C1 P1 1.818(3) . ?
C2 C3 1.382(5) . ?
C2 H2 0.95 . ?
C3 C4 1.388(6) . ?
C3 H3 0.95 . ?
C4 C5 1.371(6) . ?
C4 H4 0.95 . ?
C5 C6 1.389(5) . ?
C5 H5 0.95 . ?
C6 N1 1.482(5) . ?
C7 N1 1.508(5) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.499(5) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C16 1.541(5) . ?
C9 C10 1.544(5) . ?
C9 C18 1.551(5) . ?
C9 P1 1.874(4) . ?
C10 C11 1.530(5) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C12 1.523(6) . ?
C11 C17 1.534(6) . ?
C11 H11 1 . ?
C12 C13 1.525(6) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 C14 1.522(6) . ?
C13 C18 1.542(5) . ?
C13 H13 1 . ?
C14 C15 1.538(6) . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C15 C17 1.522(6) . ?
C15 C16 1.537(5) . ?
C15 H15 1 . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 H18A 0.99 . ?
C18 H18B 0.99 . ?
C19 C27 1.538(5) . ?
C19 C26 1.551(5) . ?
C19 C20 1.554(5) . ?
C19 P1 1.867(4) . ?
C20 C21 1.538(5) . ?
C20 H20A 0.99 . ?
C20 H20B 0.99 . ?
C21 C22 1.525(6) . ?
C21 C28 1.538(6) . ?
C21 H21 1 . ?
C22 C23 1.543(6) . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 C24 1.525(6) . ?
C23 C27 1.539(5) . ?
C23 H23 1 . ?
C24 C25 1.528(6) . ?
C24 H24A 0.99 . ?
C24 H24B 0.99 . ?
C25 C28 1.529(6) . ?
C25 C26 1.542(6) . ?
C25 H25 1 . ?
C26 H26A 0.99 . ?
C26 H26B 0.99 . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 H28A 0.99 . ?
C28 H28B 0.99 . ?
C29 C30 1.314(6) . ?
C29 Au1 2.020(4) . ?
C29 H29 0.95 . ?
C30 C31 1.473(6) . ?
C30 H30 0.95 . ?
C31 O1 1.201(5) . ?
C31 O2 1.369(7) . ?
C31 O2' 1.386(12) . ?
O2 C32 1.451(10) . ?
C32 C33 1.479(11) . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 H33A 0.98 . ?
C33 H33B 0.98 . ?
C33 H33C 0.98 . ?
O2' C32' 1.446(15) . ?
C32' C33' 1.471(16) . ?
C32' H32C 0.99 . ?
C32' H32D 0.99 . ?
C33' H33D 0.98 . ?
C33' H33E 0.98 . ?
C33' H33F 0.98 . ?
N1 Au1 2.173(3) . ?
F1 Sb1 1.886(2) . ?
F2 Sb1 1.873(2) . ?
F3 Sb1 1.868(2) . ?
F4 Sb1 1.877(2) . ?
F5 Sb1 1.867(2) . ?
F6 Sb1 1.878(2) . ?
P1 Au1 2.3152(9) . ?
Au1 Cl1 2.3546(9) . ?
