#------------------------------------------------------------------------------
#$Date: 2021-04-29 03:59:35 +0300 (Thu, 29 Apr 2021) $
#$Revision: 264654 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/22/1562229.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_1562229
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           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -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                109.750(3)
_cell_angle_beta                 101.005(3)
_cell_angle_gamma                104.616(3)
_cell_formula_units_Z            2
_cell_length_a                   10.1052(9)
_cell_length_b                   14.6709(12)
_cell_length_c                   14.9416(12)
_cell_measurement_reflns_used    6876
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      23.63
_cell_measurement_theta_min      2.67
_cell_volume                     1922.4(3)
_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 0.996
_diffrn_measured_fraction_theta_max 0.991
_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  0.1011
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            50261
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.279
_diffrn_reflns_theta_min         2.592
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.683
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.6360
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker AXS Inc.)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.708
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         3.48
_refine_diff_density_min         -1.717
_refine_diff_density_rms         0.185
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     483
_refine_ls_number_reflns         8537
_refine_ls_number_restraints     231
_refine_ls_restrained_S_all      1.051
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0525
_refine_ls_shift/su_max          0.007
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0671P)²+2.3720P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1244
_refine_ls_wR_factor_ref         0.1385
_reflns_Friedel_coverage         0
_reflns_number_gt                6179
_reflns_number_total             8537
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1sc01483h2.cif
_cod_data_source_block           AT216
_cod_database_code               1562229
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.4706(8) 0.2302(6) 0.6133(5) 0.0334(17) Uani 1 1 d . . . . .
C2 C 0.5209(10) 0.1626(6) 0.5445(6) 0.043(2) Uani 1 1 d . . . . .
H2 H 0.620581 0.173124 0.558153 0.051 Uiso 1 1 calc R U . . .
C3 C 0.4246(12) 0.0823(8) 0.4585(7) 0.060(3) Uani 1 1 d . . . . .
H3 H 0.458608 0.037622 0.41359 0.072 Uiso 1 1 calc R U . . .
C4 C 0.2799(11) 0.0662(8) 0.4372(8) 0.067(3) Uani 1 1 d . . . . .
H4 H 0.215502 0.012306 0.376379 0.08 Uiso 1 1 calc R U . . .
C5 C 0.2283(11) 0.1262(7) 0.5018(7) 0.058(3) Uani 1 1 d . . . . .
H5 H 0.127768 0.112227 0.48765 0.07 Uiso 1 1 calc R U . . .
C6 C 0.3242(9) 0.2105(7) 0.5911(6) 0.0392(19) Uani 1 1 d . . . . .
C7 C 0.1607(9) 0.2099(7) 0.6898(7) 0.049(2) Uani 1 1 d . . . . .
H7A H 0.085847 0.153785 0.631345 0.074 Uiso 1 1 calc R U . . .
H7B H 0.116475 0.252657 0.731224 0.074 Uiso 1 1 calc R U . . .
H7C H 0.212848 0.18095 0.728759 0.074 Uiso 1 1 calc R U . . .
C8 C 0.1832(9) 0.3239(7) 0.6037(6) 0.048(2) Uani 1 1 d . . . . .
H8A H 0.249745 0.368643 0.583657 0.072 Uiso 1 1 calc R U . . .
H8B H 0.141049 0.365165 0.648553 0.072 Uiso 1 1 calc R U . . .
H8C H 0.106716 0.270513 0.544388 0.072 Uiso 1 1 calc R U . . .
C9 C 0.5656(8) 0.5287(7) 0.9025(6) 0.0395(19) Uani 1 1 d . . . . .
H9 H 0.622012 0.518248 0.954308 0.047 Uiso 1 1 calc R U . . .
C10 C 0.5853(9) 0.6257(7) 0.9128(6) 0.0394(19) Uani 1 1 d . . . . .
C11 C 0.6864(9) 0.7206(7) 1.0045(6) 0.047(2) Uani 1 1 d . . . . .
H11A H 0.729019 0.699119 1.055144 0.07 Uiso 1 1 calc R U . . .
H11B H 0.632707 0.764575 1.031694 0.07 Uiso 1 1 calc R U . . .
H11C H 0.762695 0.759081 0.985839 0.07 Uiso 1 1 calc R U . . .
C12 C 0.5075(10) 0.6441(6) 0.8292(7) 0.043(2) Uani 1 1 d . . . . .
C13 C 0.4522(17) 0.7738(11) 0.7849(11) 0.113(6) Uani 1 1 d . . . . .
H13A H 0.493511 0.761451 0.7295 0.169 Uiso 1 1 calc R U . . .
H13B H 0.465255 0.847257 0.816062 0.169 Uiso 1 1 calc R U . . .
H13C H 0.349499 0.733213 0.759517 0.169 Uiso 1 1 calc R U . . .
C14 C 0.6835(8) 0.2917(6) 0.8097(5) 0.0295(16) Uani 1 1 d . . . . .
C15 C 0.5679(9) 0.2402(7) 0.8476(7) 0.047(2) Uani 1 1 d . . . . .
H15A H 0.488741 0.184314 0.790176 0.057 Uiso 1 1 calc R U . . .
H15B H 0.528122 0.291494 0.883642 0.057 Uiso 1 1 calc R U . . .
C16 C 0.6319(9) 0.1951(7) 0.9182(7) 0.047(2) Uani 1 1 d . . . . .
H16 H 0.554863 0.161584 0.941744 0.057 Uiso 1 1 calc R U . . .
C17 C 0.6929(12) 0.1170(7) 0.8655(8) 0.060(3) Uani 1 1 d . . . . .
H17A H 0.615841 0.059105 0.808247 0.072 Uiso 1 1 calc R U . . .
H17B H 0.733768 0.089195 0.911666 0.072 Uiso 1 1 calc R U . . .
C18 C 0.8092(12) 0.1673(8) 0.8287(7) 0.061(3) Uani 1 1 d . . . . .
H18 H 0.850335 0.115312 0.79378 0.074 Uiso 1 1 calc R U . . .
C19 C 0.9277(10) 0.2569(9) 0.9168(9) 0.066(3) Uani 1 1 d . . . . .
H19A H 0.97288 0.230851 0.963163 0.08 Uiso 1 1 calc R U . . .
H19B H 1.00251 0.290248 0.892571 0.08 Uiso 1 1 calc R U . . .
C20 C 0.8653(11) 0.3354(7) 0.9715(7) 0.057(3) Uani 1 1 d . . . . .
H20 H 0.943019 0.392984 1.030065 0.069 Uiso 1 1 calc R U . . .
C21 C 0.8025(9) 0.3782(6) 0.8987(6) 0.044(2) Uani 1 1 d . . . . .
H21A H 0.764147 0.431157 0.933381 0.053 Uiso 1 1 calc R U . . .
H21B H 0.87923 0.411112 0.875524 0.053 Uiso 1 1 calc R U . . .
C22 C 0.7489(11) 0.2837(8) 1.0075(6) 0.055(3) Uani 1 1 d . . . . .
H22A H 0.707611 0.334397 1.042713 0.066 Uiso 1 1 calc R U . . .
H22B H 0.790537 0.25724 1.05475 0.066 Uiso 1 1 calc R U . . .
C23 C 0.7408(12) 0.2082(8) 0.7547(7) 0.055(3) Uani 1 1 d . . . . .
H23A H 0.813619 0.23758 0.72679 0.066 Uiso 1 1 calc R U . . .
H23B H 0.661257 0.150768 0.698883 0.066 Uiso 1 1 calc R U . . .
C24 C 0.7102(8) 0.4252(6) 0.6807(5) 0.0323(17) Uani 1 1 d . . . . .
C25 C 0.8166(9) 0.3802(7) 0.6374(7) 0.045(2) Uani 1 1 d . . . . .
H25A H 0.883574 0.372624 0.689896 0.054 Uiso 1 1 calc R U . . .
H25B H 0.763984 0.311121 0.582767 0.054 Uiso 1 1 calc R U . . .
C26 C 0.9012(10) 0.4514(8) 0.5975(7) 0.053(2) Uani 1 1 d . . . . .
H26 H 0.970053 0.421314 0.569097 0.063 Uiso 1 1 calc R U . . .
C27 C 0.9836(10) 0.5570(8) 0.6809(8) 0.058(3) Uani 1 1 d . . . . .
H27A H 1.038119 0.602598 0.654607 0.07 Uiso 1 1 calc R U . . .
H27B H 1.052858 0.551032 0.733357 0.07 Uiso 1 1 calc R U . . .
C28 C 0.8795(12) 0.6043(7) 0.7261(8) 0.060(3) Uani 1 1 d . . . . .
H28 H 0.93401 0.673742 0.781562 0.072 Uiso 1 1 calc R U . . .
C29 C 0.7727(11) 0.6139(8) 0.6423(9) 0.063(3) Uani 1 1 d . . . . .
H29A H 0.703016 0.642527 0.669442 0.075 Uiso 1 1 calc R U . . .
H29B H 0.825912 0.661327 0.617069 0.075 Uiso 1 1 calc R U . . .
C30 C 0.6949(10) 0.5094(9) 0.5588(8) 0.058(3) Uani 1 1 d . . . . .
H30 H 0.627538 0.516164 0.504979 0.069 Uiso 1 1 calc R U . . .
C31 C 0.6085(9) 0.4382(7) 0.5973(7) 0.045(2) Uani 1 1 d . . . . .
H31A H 0.553861 0.369996 0.541735 0.055 Uiso 1 1 calc R U . . .
H31B H 0.538983 0.46742 0.624112 0.055 Uiso 1 1 calc R U . . .
C32 C 0.7947(11) 0.5331(7) 0.7650(7) 0.051(2) Uani 1 1 d . . . . .
H32A H 0.727065 0.563052 0.79363 0.061 Uiso 1 1 calc R U . . .
H32B H 0.861313 0.526833 0.818661 0.061 Uiso 1 1 calc R U . . .
C33 C 0.7978(11) 0.4627(9) 0.5156(8) 0.064(3) Uani 1 1 d . . . . .
H33A H 0.852612 0.507554 0.48877 0.076 Uiso 1 1 calc R U . . .
H33B H 0.743556 0.394319 0.460248 0.076 Uiso 1 1 calc R U . . .
N1 N 0.2624(7) 0.2743(5) 0.6565(5) 0.0354(15) Uani 1 1 d . . . . .
O1 O 0.4382(7) 0.5796(5) 0.7460(5) 0.0555(17) Uani 1 1 d . . . . .
O2 O 0.5231(9) 0.7438(5) 0.8576(6) 0.076(2) Uani 1 1 d . . . . .
Sb1 Sb 0.20723(14) 0.90288(8) 0.64745(13) 0.0518(4) Uani 0.822(5) 1 d D U P A 1
F1 F 0.3314(9) 0.8287(6) 0.6252(6) 0.074(2) Uani 0.822(5) 1 d D U P A 1
F2 F 0.1429(8) 0.8665(6) 0.5096(6) 0.080(2) Uani 0.822(5) 1 d D U P A 1
F3 F 0.0806(8) 0.9763(6) 0.6654(7) 0.085(2) Uani 0.822(5) 1 d D U P A 1
F4 F 0.2754(10) 0.9393(8) 0.7846(6) 0.094(3) Uani 0.822(5) 1 d D U P A 1
F5 F 0.0659(10) 0.7831(6) 0.6290(7) 0.088(2) Uani 0.822(5) 1 d D U P A 1
F6 F 0.3490(8) 1.0194(5) 0.6574(7) 0.079(2) Uani 0.822(5) 1 d D U P A 1
Sb1' Sb 0.1761(8) 0.9069(5) 0.6901(8) 0.0757(19) Uani 0.178(5) 1 d D U P A 2
F1' F 0.226(4) 0.7969(19) 0.615(2) 0.092(5) Uani 0.178(5) 1 d D U P A 2
F2' F 0.126(3) 0.930(3) 0.572(2) 0.083(5) Uani 0.178(5) 1 d D U P A 2
F3' F 0.123(4) 1.0188(19) 0.753(3) 0.094(6) Uani 0.178(5) 1 d D U P A 2
F4' F 0.213(4) 0.873(3) 0.7979(18) 0.092(6) Uani 0.178(5) 1 d D U P A 2
F5' F -0.012(2) 0.816(2) 0.643(3) 0.099(7) Uani 0.178(5) 1 d D U P A 2
F6' F 0.363(2) 0.993(2) 0.715(3) 0.092(6) Uani 0.178(5) 1 d D U P A 2
P1 P 0.5923(2) 0.34031(15) 0.72413(14) 0.0279(4) Uani 1 1 d . . . . .
Au1 Au 0.42528(3) 0.40411(2) 0.78557(2) 0.03162(11) Uani 1 1 d . . . . .
Cl1 Cl 0.2444(2) 0.45001(17) 0.84983(16) 0.0441(5) Uani 1 1 d . . . . .
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 117.8(7) . . ?
C6 C1 P1 120.0(6) . . ?
C2 C1 P1 122.1(6) . . ?
C3 C2 C1 120.1(9) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 120.7(9) . . ?
C4 C3 H3 119.6 . . ?
C2 C3 H3 119.6 . . ?
C5 C4 C3 120.7(9) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 120.3(9) . . ?
C4 C5 H5 119.8 . . ?
C6 C5 H5 119.8 . . ?
C1 C6 C5 120.2(8) . . ?
C1 C6 N1 122.0(7) . . ?
C5 C6 N1 117.8(8) . . ?
N1 C7 H7A 109.5 . . ?
N1 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
N1 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
N1 C8 H8A 109.5 . . ?
N1 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
N1 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 Au1 124.4(6) . . ?
C10 C9 H9 117.8 . . ?
Au1 C9 H9 117.8 . . ?
C9 C10 C12 118.9(8) . . ?
C9 C10 C11 124.3(8) . . ?
C12 C10 C11 116.8(7) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
O1 C12 O2 123.0(8) . . ?
O1 C12 C10 126.3(8) . . ?
O2 C12 C10 110.7(8) . . ?
O2 C13 H13A 109.5 . . ?
O2 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
O2 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C21 C14 C15 108.7(7) . . ?
C21 C14 C23 110.5(7) . . ?
C15 C14 C23 106.9(7) . . ?
C21 C14 P1 112.2(5) . . ?
C15 C14 P1 106.2(5) . . ?
C23 C14 P1 112.0(5) . . ?
C14 C15 C16 110.5(7) . . ?
C14 C15 H15A 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C16 C15 H15B 109.5 . . ?
H15A C15 H15B 108.1 . . ?
C17 C16 C22 110.2(8) . . ?
C17 C16 C15 110.7(8) . . ?
C22 C16 C15 108.1(7) . . ?
C17 C16 H16 109.3 . . ?
C22 C16 H16 109.3 . . ?
C15 C16 H16 109.3 . . ?
C16 C17 C18 109.6(8) . . ?
C16 C17 H17A 109.8 . . ?
C18 C17 H17A 109.8 . . ?
C16 C17 H17B 109.8 . . ?
C18 C17 H17B 109.8 . . ?
H17A C17 H17B 108.2 . . ?
C17 C18 C19 109.8(8) . . ?
C17 C18 C23 108.5(9) . . ?
C19 C18 C23 109.5(9) . . ?
C17 C18 H18 109.7 . . ?
C19 C18 H18 109.7 . . ?
C23 C18 H18 109.7 . . ?
C20 C19 C18 109.9(7) . . ?
C20 C19 H19A 109.7 . . ?
C18 C19 H19A 109.7 . . ?
C20 C19 H19B 109.7 . . ?
C18 C19 H19B 109.7 . . ?
H19A C19 H19B 108.2 . . ?
C22 C20 C19 109.6(7) . . ?
C22 C20 C21 110.5(8) . . ?
C19 C20 C21 108.2(8) . . ?
C22 C20 H20 109.5 . . ?
C19 C20 H20 109.5 . . ?
C21 C20 H20 109.5 . . ?
C14 C21 C20 110.1(7) . . ?
C14 C21 H21A 109.6 . . ?
C20 C21 H21A 109.6 . . ?
C14 C21 H21B 109.6 . . ?
C20 C21 H21B 109.6 . . ?
H21A C21 H21B 108.2 . . ?
C20 C22 C16 109.2(7) . . ?
C20 C22 H22A 109.8 . . ?
C16 C22 H22A 109.8 . . ?
C20 C22 H22B 109.8 . . ?
C16 C22 H22B 109.8 . . ?
H22A C22 H22B 108.3 . . ?
C14 C23 C18 109.7(7) . . ?
C14 C23 H23A 109.7 . . ?
C18 C23 H23A 109.7 . . ?
C14 C23 H23B 109.7 . . ?
C18 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
C25 C24 C32 108.6(7) . . ?
C25 C24 C31 108.5(7) . . ?
C32 C24 C31 108.0(7) . . ?
C25 C24 P1 113.6(6) . . ?
C32 C24 P1 111.7(5) . . ?
C31 C24 P1 106.2(5) . . ?
C26 C25 C24 109.9(7) . . ?
C26 C25 H25A 109.7 . . ?
C24 C25 H25A 109.7 . . ?
C26 C25 H25B 109.7 . . ?
C24 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
C27 C26 C25 110.0(8) . . ?
C27 C26 C33 108.8(8) . . ?
C25 C26 C33 109.8(8) . . ?
C27 C26 H26 109.4 . . ?
C25 C26 H26 109.4 . . ?
C33 C26 H26 109.4 . . ?
C26 C27 C28 110.2(8) . . ?
C26 C27 H27A 109.6 . . ?
C28 C27 H27A 109.6 . . ?
C26 C27 H27B 109.6 . . ?
C28 C27 H27B 109.6 . . ?
H27A C27 H27B 108.1 . . ?
C32 C28 C27 109.2(8) . . ?
C32 C28 C29 108.7(9) . . ?
C27 C28 C29 108.5(8) . . ?
C32 C28 H28 110.1 . . ?
C27 C28 H28 110.1 . . ?
C29 C28 H28 110.1 . . ?
C30 C29 C28 109.2(8) . . ?
C30 C29 H29A 109.8 . . ?
C28 C29 H29A 109.8 . . ?
C30 C29 H29B 109.8 . . ?
C28 C29 H29B 109.8 . . ?
H29A C29 H29B 108.3 . . ?
C29 C30 C33 111.5(9) . . ?
C29 C30 C31 109.5(8) . . ?
C33 C30 C31 109.2(8) . . ?
C29 C30 H30 108.9 . . ?
C33 C30 H30 108.9 . . ?
C31 C30 H30 108.9 . . ?
C30 C31 C24 110.2(7) . . ?
C30 C31 H31A 109.6 . . ?
C24 C31 H31A 109.6 . . ?
C30 C31 H31B 109.6 . . ?
C24 C31 H31B 109.6 . . ?
H31A C31 H31B 108.1 . . ?
C28 C32 C24 111.0(7) . . ?
C28 C32 H32A 109.4 . . ?
C24 C32 H32A 109.4 . . ?
C28 C32 H32B 109.4 . . ?
C24 C32 H32B 109.4 . . ?
H32A C32 H32B 108 . . ?
C30 C33 C26 109.3(8) . . ?
C30 C33 H33A 109.8 . . ?
C26 C33 H33A 109.8 . . ?
C30 C33 H33B 109.8 . . ?
C26 C33 H33B 109.8 . . ?
H33A C33 H33B 108.3 . . ?
C6 N1 C7 110.0(7) . . ?
C6 N1 C8 111.0(6) . . ?
C7 N1 C8 108.7(7) . . ?
C6 N1 Au1 112.7(5) . . ?
C7 N1 Au1 110.2(5) . . ?
C8 N1 Au1 104.1(5) . . ?
C12 O2 C13 117.3(9) . . ?
F5 Sb1 F1 89.1(4) . . ?
F5 Sb1 F4 92.1(4) . . ?
F1 Sb1 F4 90.2(4) . . ?
F5 Sb1 F3 90.9(4) . . ?
F1 Sb1 F3 178.1(4) . . ?
F4 Sb1 F3 91.6(4) . . ?
F5 Sb1 F6 176.3(4) . . ?
F1 Sb1 F6 89.3(4) . . ?
F4 Sb1 F6 91.2(4) . . ?
F3 Sb1 F6 90.6(4) . . ?
F5 Sb1 F2 88.6(4) . . ?
F1 Sb1 F2 88.7(4) . . ?
F4 Sb1 F2 178.7(4) . . ?
F3 Sb1 F2 89.4(4) . . ?
F6 Sb1 F2 88.1(4) . . ?
F4' Sb1' F5' 91.0(13) . . ?
F4' Sb1' F3' 96.0(14) . . ?
F5' Sb1' F3' 92.4(14) . . ?
F4' Sb1' F6' 97.2(14) . . ?
F5' Sb1' F6' 170.4(15) . . ?
F3' Sb1' F6' 91.7(13) . . ?
F4' Sb1' F1' 89.9(13) . . ?
F5' Sb1' F1' 87.4(13) . . ?
F3' Sb1' F1' 174.1(14) . . ?
F6' Sb1' F1' 87.7(13) . . ?
F4' Sb1' F2' 175.1(14) . . ?
F5' Sb1' F2' 84.8(12) . . ?
F3' Sb1' F2' 86.7(13) . . ?
F6' Sb1' F2' 86.8(12) . . ?
F1' Sb1' F2' 87.4(13) . . ?
C1 P1 C24 106.6(3) . . ?
C1 P1 C14 108.2(3) . . ?
C24 P1 C14 116.7(3) . . ?
C1 P1 Au1 98.9(3) . . ?
C24 P1 Au1 114.4(3) . . ?
C14 P1 Au1 110.3(2) . . ?
C9 Au1 N1 176.0(3) . . ?
C9 Au1 P1 96.9(2) . . ?
N1 Au1 P1 86.29(18) . . ?
C9 Au1 Cl1 86.6(2) . . ?
N1 Au1 Cl1 90.42(19) . . ?
P1 Au1 Cl1 173.08(7) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C6 1.384(11) . ?
C1 C2 1.436(11) . ?
C1 P1 1.811(7) . ?
C2 C3 1.381(12) . ?
C2 H2 0.95 . ?
C3 C4 1.375(14) . ?
C3 H3 0.95 . ?
C4 C5 1.353(14) . ?
C4 H4 0.95 . ?
C5 C6 1.427(11) . ?
C5 H5 0.95 . ?
C6 N1 1.460(11) . ?
C7 N1 1.490(10) . ?
C7 H7A 0.98 . ?
C7 H7B 0.98 . ?
C7 H7C 0.98 . ?
C8 N1 1.494(10) . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 C10 1.336(11) . ?
C9 Au1 1.998(8) . ?
C9 H9 0.95 . ?
C10 C12 1.488(12) . ?
C10 C11 1.523(11) . ?
C11 H11A 0.98 . ?
C11 H11B 0.98 . ?
C11 H11C 0.98 . ?
C12 O1 1.212(10) . ?
C12 O2 1.335(10) . ?
C13 O2 1.441(13) . ?
C13 H13A 0.98 . ?
C13 H13B 0.98 . ?
C13 H13C 0.98 . ?
C14 C21 1.517(10) . ?
C14 C15 1.533(11) . ?
C14 C23 1.539(11) . ?
C14 P1 1.868(7) . ?
C15 C16 1.548(11) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 C17 1.498(14) . ?
C16 C22 1.522(13) . ?
C16 H16 1 . ?
C17 C18 1.520(15) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 C19 1.526(15) . ?
C18 C23 1.558(12) . ?
C18 H18 1 . ?
C19 C20 1.523(15) . ?
C19 H19A 0.99 . ?
C19 H19B 0.99 . ?
C20 C22 1.521(14) . ?
C20 C21 1.543(11) . ?
C20 H20 1 . ?
C21 H21A 0.99 . ?
C21 H21B 0.99 . ?
C22 H22A 0.99 . ?
C22 H22B 0.99 . ?
C23 H23A 0.99 . ?
C23 H23B 0.99 . ?
C24 C25 1.531(11) . ?
C24 C32 1.543(11) . ?
C24 C31 1.554(10) . ?
C24 P1 1.867(7) . ?
C25 C26 1.531(12) . ?
C25 H25A 0.99 . ?
C25 H25B 0.99 . ?
C26 C27 1.516(14) . ?
C26 C33 1.534(13) . ?
C26 H26 1 . ?
C27 C28 1.538(14) . ?
C27 H27A 0.99 . ?
C27 H27B 0.99 . ?
C28 C32 1.520(12) . ?
C28 C29 1.560(15) . ?
C28 H28 1 . ?
C29 C30 1.500(15) . ?
C29 H29A 0.99 . ?
C29 H29B 0.99 . ?
C30 C33 1.511(14) . ?
C30 C31 1.524(12) . ?
C30 H30 1 . ?
C31 H31A 0.99 . ?
C31 H31B 0.99 . ?
C32 H32A 0.99 . ?
C32 H32B 0.99 . ?
C33 H33A 0.99 . ?
C33 H33B 0.99 . ?
N1 Au1 2.186(6) . ?
Sb1 F5 1.860(7) . ?
Sb1 F1 1.864(8) . ?
Sb1 F4 1.869(8) . ?
Sb1 F3 1.871(8) . ?
Sb1 F6 1.873(7) . ?
Sb1 F2 1.876(8) . ?
Sb1' F4' 1.839(17) . ?
Sb1' F5' 1.859(17) . ?
Sb1' F3' 1.863(17) . ?
Sb1' F6' 1.871(17) . ?
Sb1' F1' 1.875(17) . ?
Sb1' F2' 1.911(17) . ?
P1 Au1 2.319(2) . ?
Au1 Cl1 2.361(2) . ?
