#------------------------------------------------------------------------------
#$Date: 2023-04-04 12:34:51 +0300 (Tue, 04 Apr 2023) $
#$Revision: 282251 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/13/12/7131205.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_7131205
loop_
_publ_author_name
'Liu, Junyang'
'Shoshani, Manar M.'
'Sum, Kethya'
'Johnson, Samuel A.'
_publ_section_title
;
 Breaking bonds and breaking rules: inert-bond activation by
 [(ⁱPr₃P)Ni]₅H₄ and catalytic
 stereospecific norbornene dimerization.
;
_journal_issue                   24
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              3542
_journal_page_last               3545
_journal_paper_doi               10.1039/d2cc06681e
_journal_volume                  59
_journal_year                    2023
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C41 H58 Au N2, F6 Sb'
_chemical_formula_sum            'C41 H58 Au F6 N2 Sb'
_chemical_formula_weight         1011.61
_chemical_properties_physical    Air-sensitive,Moisture-sensitive
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   direct
_audit_creation_date             2022-09-15T15:25:11-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2022-11-29 deposited with the CCDC.	2023-01-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 119.072(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.9956(14)
_cell_length_b                   10.0410(6)
_cell_length_c                   20.4012(12)
_cell_measurement_reflns_used    9766
_cell_measurement_temperature    170(2)
_cell_measurement_theta_max      33.5
_cell_measurement_theta_min      2.27
_cell_measurement_wavelength     0.71073
_cell_volume                     4117.1(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      170(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.071
_diffrn_reflns_av_unetI/netI     0.0464
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 1
_diffrn_reflns_limit_h_max       38
_diffrn_reflns_limit_h_min       -38
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            104464
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        36.247
_diffrn_reflns_theta_max         36.247
_diffrn_reflns_theta_min         2.027
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.272
_exptl_absorpt_correction_T_max  0.7471
_exptl_absorpt_correction_T_min  0.6611
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.632
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.055
_refine_diff_density_min         -0.841
_refine_diff_density_rms         0.11
_refine_ls_abs_structure_details
;
 Flack x determined using 7894 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.004(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     496
_refine_ls_number_reflns         19841
_refine_ls_number_restraints     29
_refine_ls_restrained_S_all      1.03
_refine_ls_R_factor_all          0.0392
_refine_ls_R_factor_gt           0.0319
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0335P)²+1.1364P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0724
_reflns_Friedel_coverage         0.998
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.998
_reflns_number_gt                17703
_reflns_number_total             19841
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2cc06681e2.cif
_cod_data_source_block           jl1425sipr
_cod_depositor_comments
'Adding full bibliography for 7131204--7131205.cif.'
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               7131205
_shelx_estimated_absorpt_t_min   0.784
_shelx_estimated_absorpt_t_max   0.815
loop_
_symmetry_equiv_pos_as_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'
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 0.45046(2) 0.72633(2) 0.98383(2) 0.02081(3) Uani 1 1 d . . . . .
N1 N 0.35975(17) 0.8589(4) 0.83831(18) 0.0230(6) Uani 1 1 d . . . . .
N2 N 0.32119(16) 0.8758(4) 0.91641(18) 0.0212(6) Uani 1 1 d . . . . .
C1 C 0.5448(2) 0.6003(5) 1.0445(3) 0.0280(8) Uani 1 1 d . . . . .
C2 C 0.5268(2) 0.6446(4) 1.0958(2) 0.0257(7) Uani 1 1 d . . . . .
C3 C 0.5565(2) 0.7641(5) 1.1475(3) 0.0290(8) Uani 1 1 d . . . . .
H3 H 0.565067 0.844188 1.124303 0.035 Uiso 1 1 calc R U . . .
C4 C 0.5061(3) 0.7843(5) 1.1762(3) 0.0351(10) Uani 1 1 d . . . . .
H4A H 0.521482 0.849872 1.217542 0.042 Uiso 1 1 calc R U . . .
H4B H 0.461108 0.808071 1.135701 0.042 Uiso 1 1 calc R U . . .
C5 C 0.5105(3) 0.6416(6) 1.2029(3) 0.0373(11) Uani 1 1 d . . . . .
H5 H 0.482065 0.621725 1.226363 0.045 Uiso 1 1 calc R U . . .
C6 C 0.5853(3) 0.6245(6) 1.2556(3) 0.0434(13) Uani 1 1 d . . . . .
H6A H 0.598602 0.529866 1.258828 0.052 Uiso 1 1 calc R U . . .
H6B H 0.598237 0.65756 1.306542 0.052 Uiso 1 1 calc R U . . .
C7 C 0.6172(3) 0.7095(6) 1.2184(3) 0.0391(12) Uani 1 1 d . . . . .
H7A H 0.644221 0.782791 1.251798 0.047 Uiso 1 1 calc R U . . .
H7B H 0.645718 0.654453 1.205101 0.047 Uiso 1 1 calc R U . . .
C8 C 0.4917(3) 0.5634(5) 1.1302(3) 0.0340(10) Uani 1 1 d . . . . .
H8A H 0.508685 0.470926 1.141115 0.041 Uiso 1 1 calc R U . . .
H8B H 0.442969 0.561816 1.096731 0.041 Uiso 1 1 calc R U . . .
C9 C 0.6019(2) 0.6554(6) 1.0357(3) 0.0348(10) Uani 1 1 d . . . . .
H9 H 0.623013 0.737806 1.065298 0.042 Uiso 1 1 calc R U . . .
C10 C 0.6466(3) 0.5305(7) 1.0597(4) 0.0497(15) Uani 1 1 d . . . . .
H10A H 0.686269 0.541037 1.053087 0.06 Uiso 1 1 calc R U . . .
H10B H 0.660135 0.502133 1.111617 0.06 Uiso 1 1 calc R U . . .
C11 C 0.5941(4) 0.4391(7) 1.0008(4) 0.0525(16) Uani 1 1 d . . . . .
H11 H 0.608805 0.344932 1.002184 0.063 Uiso 1 1 calc R U . . .
C12 C 0.5778(4) 0.5147(8) 0.9287(4) 0.0579(18) Uani 1 1 d . . . . .
H12A H 0.532668 0.492596 0.887913 0.069 Uiso 1 1 calc R U . . .
H12B H 0.610617 0.49456 0.911776 0.069 Uiso 1 1 calc R U . . .
C13 C 0.5823(3) 0.6619(7) 0.9527(3) 0.0450(13) Uani 1 1 d . . . . .
H13A H 0.616349 0.71014 0.945521 0.054 Uiso 1 1 calc R U . . .
H13B H 0.53889 0.707242 0.923373 0.054 Uiso 1 1 calc R U . . .
C14 C 0.5354(3) 0.4557(5) 1.0157(3) 0.0389(11) Uani 1 1 d . . . . .
H14A H 0.53808 0.391971 1.054125 0.047 Uiso 1 1 calc R U . . .
H14B H 0.49233 0.444131 0.969294 0.047 Uiso 1 1 calc R U . . .
C15 C 0.37057(18) 0.8281(4) 0.9069(2) 0.0191(6) Uani 1 1 d . . . . .
C16 C 0.2988(2) 0.9373(5) 0.7954(2) 0.0323(9) Uani 1 1 d . . . . .
H16A H 0.267032 0.890469 0.748994 0.039 Uiso 1 1 calc R U . . .
H16B H 0.308907 1.025961 0.782177 0.039 Uiso 1 1 calc R U . . .
C17 C 0.2714(2) 0.9495(5) 0.8503(2) 0.0266(8) Uani 1 1 d . . . . .
H17A H 0.26863 1.043796 0.862684 0.032 Uiso 1 1 calc R U . . .
H17B H 0.226788 0.908211 0.829535 0.032 Uiso 1 1 calc R U . . .
C18 C 0.4057(2) 0.8334(5) 0.8112(2) 0.0235(7) Uani 1 1 d . . . . .
C19 C 0.3962(2) 0.7195(5) 0.7671(3) 0.0265(7) Uani 1 1 d . . . . .
C20 C 0.4414(3) 0.6968(5) 0.7413(3) 0.0333(9) Uani 1 1 d . . . . .
H20 H 0.435947 0.621171 0.710929 0.04 Uiso 1 1 calc R U . . .
C21 C 0.4943(3) 0.7831(5) 0.7594(3) 0.0339(9) Uani 1 1 d . . . . .
H21 H 0.525347 0.764815 0.74237 0.041 Uiso 1 1 calc R U . . .
C22 C 0.5019(2) 0.8951(5) 0.8018(3) 0.0322(9) Uani 1 1 d . . . . .
H22 H 0.537732 0.954261 0.813074 0.039 Uiso 1 1 calc R U . . .
C23 C 0.4576(2) 0.9231(5) 0.8287(2) 0.0267(7) Uani 1 1 d . . . . .
C24 C 0.3405(3) 0.6210(5) 0.7487(3) 0.0332(9) Uani 1 1 d . . . . .
H24 H 0.315671 0.652318 0.774724 0.04 Uiso 1 1 calc R U . . .
C25 C 0.3675(5) 0.4859(8) 0.7789(8) 0.101(4) Uani 1 1 d . . . . .
H25A H 0.392161 0.451928 0.754546 0.152 Uiso 1 1 calc R U . . .
H25B H 0.330609 0.42533 0.768842 0.152 Uiso 1 1 calc R U . . .
H25C H 0.397277 0.491721 0.833139 0.152 Uiso 1 1 calc R U . . .
C26 C 0.2914(5) 0.6196(12) 0.6649(4) 0.087(4) Uani 1 1 d . . . . .
H26A H 0.313466 0.584814 0.63772 0.131 Uiso 1 1 calc R U . . .
H26B H 0.275721 0.710409 0.647862 0.131 Uiso 1 1 calc R U . . .
H26C H 0.253435 0.562645 0.655208 0.131 Uiso 1 1 calc R U . . .
C27 C 0.4693(3) 1.0437(5) 0.8782(3) 0.0341(9) Uani 1 1 d . . . . .
H27 H 0.431553 1.050087 0.88936 0.041 Uiso 1 1 calc R U . . .
C28 C 0.5337(3) 1.0299(7) 0.9524(3) 0.0460(14) Uani 1 1 d . . . . .
H28A H 0.533921 0.944188 0.975557 0.069 Uiso 1 1 calc R U . . .
H28B H 0.536737 1.102406 0.986139 0.069 Uiso 1 1 calc R U . . .
H28C H 0.571731 1.034248 0.943341 0.069 Uiso 1 1 calc R U . . .
C29 C 0.4715(4) 1.1725(7) 0.8399(4) 0.0574(18) Uani 1 1 d . . . . .
H29A H 0.512541 1.175284 0.836528 0.086 Uiso 1 1 calc R U . . .
H29B H 0.470341 1.248821 0.869227 0.086 Uiso 1 1 calc R U . . .
H29C H 0.432999 1.176272 0.789403 0.086 Uiso 1 1 calc R U . . .
C30 C 0.31860(19) 0.8735(4) 0.9856(2) 0.0220(7) Uani 1 1 d . . . . .
C31 C 0.2846(2) 0.7713(5) 0.9983(2) 0.0275(8) Uani 1 1 d . . . . .
C32 C 0.2832(3) 0.7733(6) 1.0661(3) 0.0369(10) Uani 1 1 d . . . . .
H32 H 0.260872 0.704494 1.07698 0.044 Uiso 1 1 calc R U . . .
C33 C 0.3142(3) 0.8749(7) 1.1174(3) 0.0413(13) Uani 1 1 d . . . . .
H33 H 0.313316 0.874021 1.163455 0.05 Uiso 1 1 calc R U . . .
C34 C 0.3461(3) 0.9761(6) 1.1031(3) 0.0364(11) Uani 1 1 d . . . . .
H34 H 0.366672 1.044969 1.139046 0.044 Uiso 1 1 calc R U . . .
C35 C 0.3489(2) 0.9796(5) 1.0362(2) 0.0278(8) Uani 1 1 d . . . . .
C36 C 0.2510(2) 0.6599(5) 0.9416(3) 0.0305(9) Uani 1 1 d . . . . .
H36 H 0.244371 0.692259 0.892089 0.037 Uiso 1 1 calc R U . . .
C37 C 0.1833(3) 0.6240(8) 0.9318(4) 0.0545(16) Uani 1 1 d . . . . .
H37A H 0.16136 0.56079 0.89022 0.082 Uiso 1 1 calc R U . . .
H37B H 0.156146 0.704688 0.920696 0.082 Uiso 1 1 calc R U . . .
H37C H 0.188579 0.583317 0.978007 0.082 Uiso 1 1 calc R U . . .
C38 C 0.2953(3) 0.5378(6) 0.9626(4) 0.0458(14) Uani 1 1 d . . . . .
H38A H 0.337216 0.56087 0.963824 0.069 Uiso 1 1 calc R U . . .
H38B H 0.272742 0.467555 0.925403 0.069 Uiso 1 1 calc R U . . .
H38C H 0.304536 0.506112 1.012186 0.069 Uiso 1 1 calc R U . . .
C39 C 0.3838(3) 1.0938(5) 1.0192(3) 0.0365(11) Uani 1 1 d . . . . .
H39 H 0.37645 1.080789 0.967168 0.044 Uiso 1 1 calc R U . . .
C40 C 0.3539(5) 1.2276(6) 1.0218(6) 0.063(2) Uani 1 1 d . . . . .
H40A H 0.305631 1.225234 0.988514 0.094 Uiso 1 1 calc R U . . .
H40B H 0.373427 1.297818 1.005245 0.094 Uiso 1 1 calc R U . . .
H40C H 0.363329 1.245901 1.073209 0.094 Uiso 1 1 calc R U . . .
C41 C 0.4583(3) 1.0924(6) 1.0723(4) 0.0460(13) Uani 1 1 d . . . . .
H41A H 0.466742 1.091524 1.124272 0.069 Uiso 1 1 calc R U . . .
H41B H 0.478448 1.172039 1.063975 0.069 Uiso 1 1 calc R U . . .
H41C H 0.477799 1.012668 1.063035 0.069 Uiso 1 1 calc R U . . .
Sb1 Sb 0.67121(9) 1.16767(17) 1.23282(9) 0.0332(2) Uani 0.722(9) 1 d D . P A 1
F1 F 0.7289(5) 1.0218(8) 1.2765(6) 0.0734(18) Uani 0.722(9) 1 d D . P A 1
F2 F 0.6059(3) 1.0657(6) 1.2381(5) 0.0723(18) Uani 0.722(9) 1 d D . P A 1
F3 F 0.6473(5) 1.1011(9) 1.1391(4) 0.096(3) Uani 0.722(9) 1 d D . P A 1
F4 F 0.6114(4) 1.3061(8) 1.1904(5) 0.0734(18) Uani 0.722(9) 1 d D . P A 1
F5 F 0.7376(4) 1.2671(6) 1.2298(6) 0.0723(18) Uani 0.722(9) 1 d D . P A 1
F6 F 0.6962(7) 1.2399(11) 1.3254(5) 0.096(3) Uani 0.722(9) 1 d D . P A 1
Sb1B Sb 0.6828(2) 1.1953(7) 1.2376(3) 0.0430(8) Uani 0.278(9) 1 d D . P A 2
F1B F 0.7107(14) 1.019(2) 1.2592(17) 0.096(7) Uani 0.278(9) 1 d D . P A 2
F2B F 0.5953(8) 1.139(3) 1.1775(17) 0.132(11) Uani 0.278(9) 1 d D . P A 2
F3B F 0.7035(18) 1.186(3) 1.1644(14) 0.137(12) Uani 0.278(9) 1 d D . P A 2
F4B F 0.6539(13) 1.3700(18) 1.2131(13) 0.096(7) Uani 0.278(9) 1 d D . P A 2
F5B F 0.7684(10) 1.247(2) 1.3059(19) 0.132(11) Uani 0.278(9) 1 d D . P A 2
F6B F 0.6693(19) 1.208(3) 1.3213(14) 0.137(12) Uani 0.278(9) 1 d D . P A 2
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'
F F 0.0171 0.0103 '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'
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
C15 Au1 C2 159.78(16) . . ?
C15 Au1 C1 164.97(16) . . ?
C2 Au1 C1 35.22(17) . . ?
C15 N1 C18 124.6(3) . . ?
C15 N1 C16 112.8(3) . . ?
C18 N1 C16 122.3(3) . . ?
C15 N2 C30 125.6(3) . . ?
C15 N2 C17 112.7(3) . . ?
C30 N2 C17 121.3(3) . . ?
C2 C1 C9 124.8(4) . . ?
C2 C1 C14 123.8(5) . . ?
C9 C1 C14 105.6(4) . . ?
C2 C1 Au1 71.1(2) . . ?
C9 C1 Au1 112.5(3) . . ?
C14 C1 Au1 113.3(3) . . ?
C1 C2 C3 125.7(4) . . ?
C1 C2 C8 126.6(4) . . ?
C3 C2 C8 105.1(4) . . ?
C1 C2 Au1 73.7(2) . . ?
C3 C2 Au1 106.3(3) . . ?
C8 C2 Au1 109.5(3) . . ?
C2 C3 C7 105.4(4) . . ?
C2 C3 C4 101.5(4) . . ?
C7 C3 C4 101.3(4) . . ?
C2 C3 H3 115.6 . . ?
C7 C3 H3 115.6 . . ?
C4 C3 H3 115.6 . . ?
C5 C4 C3 94.7(4) . . ?
C5 C4 H4A 112.8 . . ?
C3 C4 H4A 112.8 . . ?
C5 C4 H4B 112.8 . . ?
C3 C4 H4B 112.8 . . ?
H4A C4 H4B 110.3 . . ?
C4 C5 C6 102.3(5) . . ?
C4 C5 C8 101.3(4) . . ?
C6 C5 C8 108.1(5) . . ?
C4 C5 H5 114.5 . . ?
C6 C5 H5 114.5 . . ?
C8 C5 H5 114.5 . . ?
C5 C6 C7 103.5(4) . . ?
C5 C6 H6A 111.1 . . ?
C7 C6 H6A 111.1 . . ?
C5 C6 H6B 111.1 . . ?
C7 C6 H6B 111.1 . . ?
H6A C6 H6B 109 . . ?
C3 C7 C6 103.1(5) . . ?
C3 C7 H7A 111.1 . . ?
C6 C7 H7A 111.1 . . ?
C3 C7 H7B 111.1 . . ?
C6 C7 H7B 111.1 . . ?
H7A C7 H7B 109.1 . . ?
C2 C8 C5 101.9(4) . . ?
C2 C8 H8A 111.4 . . ?
C5 C8 H8A 111.4 . . ?
C2 C8 H8B 111.4 . . ?
C5 C8 H8B 111.4 . . ?
H8A C8 H8B 109.3 . . ?
C1 C9 C13 109.9(4) . . ?
C1 C9 C10 98.6(5) . . ?
C13 C9 C10 100.2(5) . . ?
C1 C9 H9 115.3 . . ?
C13 C9 H9 115.3 . . ?
C10 C9 H9 115.3 . . ?
C11 C10 C9 95.1(4) . . ?
C11 C10 H10A 112.7 . . ?
C9 C10 H10A 112.7 . . ?
C11 C10 H10B 112.7 . . ?
C9 C10 H10B 112.7 . . ?
H10A C10 H10B 110.2 . . ?
C10 C11 C14 102.4(5) . . ?
C10 C11 C12 100.8(6) . . ?
C14 C11 C12 108.1(5) . . ?
C10 C11 H11 114.7 . . ?
C14 C11 H11 114.7 . . ?
C12 C11 H11 114.7 . . ?
C11 C12 C13 102.8(5) . . ?
C11 C12 H12A 111.2 . . ?
C13 C12 H12A 111.2 . . ?
C11 C12 H12B 111.2 . . ?
C13 C12 H12B 111.2 . . ?
H12A C12 H12B 109.1 . . ?
C9 C13 C12 104.4(5) . . ?
C9 C13 H13A 110.9 . . ?
C12 C13 H13A 110.9 . . ?
C9 C13 H13B 110.9 . . ?
C12 C13 H13B 110.9 . . ?
H13A C13 H13B 108.9 . . ?
C11 C14 C1 101.8(5) . . ?
C11 C14 H14A 111.4 . . ?
C1 C14 H14A 111.4 . . ?
C11 C14 H14B 111.4 . . ?
C1 C14 H14B 111.4 . . ?
H14A C14 H14B 109.3 . . ?
N2 C15 N1 109.4(3) . . ?
N2 C15 Au1 125.9(3) . . ?
N1 C15 Au1 124.6(3) . . ?
N1 C16 C17 102.7(3) . . ?
N1 C16 H16A 111.2 . . ?
C17 C16 H16A 111.2 . . ?
N1 C16 H16B 111.2 . . ?
C17 C16 H16B 111.2 . . ?
H16A C16 H16B 109.1 . . ?
N2 C17 C16 102.4(3) . . ?
N2 C17 H17A 111.3 . . ?
C16 C17 H17A 111.3 . . ?
N2 C17 H17B 111.3 . . ?
C16 C17 H17B 111.3 . . ?
H17A C17 H17B 109.2 . . ?
C23 C18 C19 122.5(4) . . ?
C23 C18 N1 118.9(4) . . ?
C19 C18 N1 118.5(4) . . ?
C20 C19 C18 117.5(4) . . ?
C20 C19 C24 119.8(4) . . ?
C18 C19 C24 122.7(4) . . ?
C21 C20 C19 121.1(5) . . ?
C21 C20 H20 119.4 . . ?
C19 C20 H20 119.4 . . ?
C22 C21 C20 120.0(5) . . ?
C22 C21 H21 120 . . ?
C20 C21 H21 120 . . ?
C21 C22 C23 121.2(5) . . ?
C21 C22 H22 119.4 . . ?
C23 C22 H22 119.4 . . ?
C18 C23 C22 117.6(4) . . ?
C18 C23 C27 122.7(4) . . ?
C22 C23 C27 119.7(4) . . ?
C25 C24 C19 111.0(5) . . ?
C25 C24 C26 112.7(8) . . ?
C19 C24 C26 111.1(5) . . ?
C25 C24 H24 107.2 . . ?
C19 C24 H24 107.2 . . ?
C26 C24 H24 107.2 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 C28 111.2(5) . . ?
C23 C27 C29 112.1(4) . . ?
C28 C27 C29 109.1(5) . . ?
C23 C27 H27 108.1 . . ?
C28 C27 H27 108.1 . . ?
C29 C27 H27 108.1 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C31 C30 C35 123.0(4) . . ?
C31 C30 N2 119.3(4) . . ?
C35 C30 N2 117.6(4) . . ?
C30 C31 C32 117.3(5) . . ?
C30 C31 C36 121.7(4) . . ?
C32 C31 C36 121.0(5) . . ?
C33 C32 C31 120.5(5) . . ?
C33 C32 H32 119.7 . . ?
C31 C32 H32 119.7 . . ?
C34 C33 C32 121.3(5) . . ?
C34 C33 H33 119.4 . . ?
C32 C33 H33 119.4 . . ?
C33 C34 C35 120.8(5) . . ?
C33 C34 H34 119.6 . . ?
C35 C34 H34 119.6 . . ?
C34 C35 C30 117.1(5) . . ?
C34 C35 C39 121.1(4) . . ?
C30 C35 C39 121.8(4) . . ?
C38 C36 C37 110.6(5) . . ?
C38 C36 C31 110.9(4) . . ?
C37 C36 C31 112.6(5) . . ?
C38 C36 H36 107.5 . . ?
C37 C36 H36 107.5 . . ?
C31 C36 H36 107.5 . . ?
C36 C37 H37A 109.5 . . ?
C36 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C36 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
C36 C38 H38A 109.5 . . ?
C36 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C36 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C41 C39 C40 110.8(5) . . ?
C41 C39 C35 111.4(5) . . ?
C40 C39 C35 111.0(6) . . ?
C41 C39 H39 107.8 . . ?
C40 C39 H39 107.8 . . ?
C35 C39 H39 107.8 . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C39 C41 H41A 109.5 . . ?
C39 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C39 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
F6 Sb1 F3 177.8(5) . . ?
F6 Sb1 F4 88.5(5) . . ?
F3 Sb1 F4 90.5(4) . . ?
F6 Sb1 F5 88.3(5) . . ?
F3 Sb1 F5 89.8(5) . . ?
F4 Sb1 F5 91.0(4) . . ?
F6 Sb1 F2 90.9(5) . . ?
F3 Sb1 F2 91.0(4) . . ?
F4 Sb1 F2 90.2(4) . . ?
F5 Sb1 F2 178.6(4) . . ?
F6 Sb1 F1 91.4(5) . . ?
F3 Sb1 F1 89.7(5) . . ?
F4 Sb1 F1 177.2(5) . . ?
F5 Sb1 F1 91.8(4) . . ?
F2 Sb1 F1 87.0(4) . . ?
F3B Sb1B F5B 91.5(16) . . ?
F3B Sb1B F1B 86.8(12) . . ?
F5B Sb1B F1B 88.2(11) . . ?
F3B Sb1B F4B 91.9(11) . . ?
F5B Sb1B F4B 92.9(11) . . ?
F1B Sb1B F4B 178.4(12) . . ?
F3B Sb1B F2B 94.4(15) . . ?
F5B Sb1B F2B 173.8(16) . . ?
F1B Sb1B F2B 90.3(12) . . ?
F4B Sb1B F2B 88.8(11) . . ?
F3B Sb1B F6B 174.7(17) . . ?
F5B Sb1B F6B 83.2(15) . . ?
F1B Sb1B F6B 92.3(12) . . ?
F4B Sb1B F6B 89.1(10) . . ?
F2B Sb1B F6B 90.9(15) . . ?
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 C15 2.020(4) . ?
Au1 C2 2.254(4) . ?
Au1 C1 2.287(4) . ?
N1 C15 1.333(5) . ?
N1 C18 1.434(5) . ?
N1 C16 1.469(5) . ?
N2 C15 1.331(5) . ?
N2 C30 1.442(5) . ?
N2 C17 1.476(5) . ?
C1 C2 1.374(7) . ?
C1 C9 1.513(7) . ?
C1 C14 1.541(7) . ?
C2 C3 1.523(7) . ?
C2 C8 1.534(7) . ?
C3 C7 1.543(7) . ?
C3 C4 1.544(8) . ?
C3 H3 1 . ?
C4 C5 1.518(8) . ?
C4 H4A 0.99 . ?
C4 H4B 0.99 . ?
C5 C6 1.532(9) . ?
C5 C8 1.544(8) . ?
C5 H5 1 . ?
C6 C7 1.544(9) . ?
C6 H6A 0.99 . ?
C6 H6B 0.99 . ?
C7 H7A 0.99 . ?
C7 H7B 0.99 . ?
C8 H8A 0.99 . ?
C8 H8B 0.99 . ?
C9 C13 1.529(8) . ?
C9 C10 1.544(8) . ?
C9 H9 1 . ?
C10 C11 1.528(10) . ?
C10 H10A 0.99 . ?
C10 H10B 0.99 . ?
C11 C14 1.530(9) . ?
C11 C12 1.532(10) . ?
C11 H11 1 . ?
C12 C13 1.545(11) . ?
C12 H12A 0.99 . ?
C12 H12B 0.99 . ?
C13 H13A 0.99 . ?
C13 H13B 0.99 . ?
C14 H14A 0.99 . ?
C14 H14B 0.99 . ?
C16 C17 1.533(6) . ?
C16 H16A 0.99 . ?
C16 H16B 0.99 . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 C23 1.396(6) . ?
C18 C19 1.405(7) . ?
C19 C20 1.392(7) . ?
C19 C24 1.514(7) . ?
C20 C21 1.390(8) . ?
C20 H20 0.95 . ?
C21 C22 1.378(8) . ?
C21 H21 0.95 . ?
C22 C23 1.400(7) . ?
C22 H22 0.95 . ?
C23 C27 1.514(7) . ?
C24 C25 1.495(10) . ?
C24 C26 1.524(9) . ?
C24 H24 1 . ?
C25 H25A 0.98 . ?
C25 H25B 0.98 . ?
C25 H25C 0.98 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
C27 C28 1.525(8) . ?
C27 C29 1.525(8) . ?
C27 H27 1 . ?
C28 H28A 0.98 . ?
C28 H28B 0.98 . ?
C28 H28C 0.98 . ?
C29 H29A 0.98 . ?
C29 H29B 0.98 . ?
C29 H29C 0.98 . ?
C30 C31 1.389(6) . ?
C30 C35 1.409(6) . ?
C31 C32 1.399(7) . ?
C31 C36 1.522(7) . ?
C32 C33 1.386(9) . ?
C32 H32 0.95 . ?
C33 C34 1.365(9) . ?
C33 H33 0.95 . ?
C34 C35 1.398(7) . ?
C34 H34 0.95 . ?
C35 C39 1.532(8) . ?
C36 C38 1.516(8) . ?
C36 C37 1.514(8) . ?
C36 H36 1 . ?
C37 H37A 0.98 . ?
C37 H37B 0.98 . ?
C37 H37C 0.98 . ?
C38 H38A 0.98 . ?
C38 H38B 0.98 . ?
C38 H38C 0.98 . ?
C39 C41 1.519(8) . ?
C39 C40 1.522(8) . ?
C39 H39 1 . ?
C40 H40A 0.98 . ?
C40 H40B 0.98 . ?
C40 H40C 0.98 . ?
C41 H41A 0.98 . ?
C41 H41B 0.98 . ?
C41 H41C 0.98 . ?
Sb1 F6 1.835(7) . ?
Sb1 F3 1.840(6) . ?
Sb1 F4 1.848(5) . ?
Sb1 F5 1.851(6) . ?
Sb1 F2 1.863(5) . ?
Sb1 F1 1.885(6) . ?
Sb1B F3B 1.777(14) . ?
Sb1B F5B 1.849(18) . ?
Sb1B F1B 1.860(17) . ?
Sb1B F4B 1.856(16) . ?
Sb1B F2B 1.864(16) . ?
Sb1B F6B 1.884(15) . ?
