#------------------------------------------------------------------------------
#$Date: 2023-05-05 05:06:37 +0200 (Fri 05 de May de 2023) $
#$Revision: 283419 $
#$URL: svn://www.crystallography.net/cod/cif/7/06/22/7062291.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_7062291
loop_
_publ_author_name
'Leitner, Zdeněk'
'Císařová, Ivana'
'Štěpnička, Petr'
_publ_section_title
;
 Synthesis and characterisation of group 11 metal complexes with a
 guanidine-tagged triphenylphosphine and evaluation of the isolated Au(i)
 complexes in gold-mediated organic reactions
;
_journal_issue                   12
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              5930
_journal_page_last               5938
_journal_paper_doi               10.1039/D3NJ00451A
_journal_volume                  47
_journal_year                    2023
_chemical_formula_moiety         'C50 H60 Au N6 P2, F6 Sb'
_chemical_formula_sum            'C50 H60 Au F6 N6 P2 Sb'
_chemical_formula_weight         1239.69
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2023-01-23 deposited with the CCDC.	2023-02-16 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 91.7100(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2205(2)
_cell_length_b                   20.5943(4)
_cell_length_c                   21.9857(5)
_cell_measurement_reflns_used    9840
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.69
_cell_volume                     5078.16(18)
_computing_cell_refinement       'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_data_collection       'Bruker Instrument Service vV6.2.14'
_computing_data_reduction        'SAINT V8.40A (Bruker Nano, Inc., 2019)'
_computing_molecular_graphics    'PLATON (Spek, 2017)'
_computing_publication_material  'PLATON (Spek, 2017)'
_computing_structure_refinement  'SHELXL-2017/1 (Sheldrick, 2017)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE Kappa Duo with PHOTON 1000'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'Quazar Mo multilayer optic'
_diffrn_radiation_source         'I\mS micro-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0237
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            54360
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.490
_diffrn_reflns_theta_min         1.978
_exptl_absorpt_coefficient_mu    3.543
_exptl_absorpt_correction_T_max  0.83
_exptl_absorpt_correction_T_min  0.74
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2016/2 - Bruker AXS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.622
_exptl_crystal_description       prism
_exptl_crystal_F_000             2464
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.404
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     603
_refine_ls_number_reflns         11660
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0220
_refine_ls_R_factor_gt           0.0181
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0123P)²+2.5190P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0360
_refine_ls_wR_factor_ref         0.0376
_reflns_Friedel_coverage         0.000
_reflns_number_gt                10688
_reflns_number_total             11660
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3nj00451a2.cif
_cod_data_source_block           zl97
_cod_depositor_comments
'Adding full bibliography for 7062284--7062291.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7062291
_shelx_shelxl_version_number     2017/1
_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   0.721
_shelx_estimated_absorpt_t_max   0.829
loop_
_space_group_symop_operation_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
Au Au 0.88277(2) 0.35625(2) 0.28138(2) 0.01310(2) Uani 1 1 d . . . . .
P1 P 0.91321(4) 0.40524(2) 0.37460(2) 0.01232(9) Uani 1 1 d . . . . .
N1 N 0.68118(14) 0.35693(8) 0.39282(7) 0.0166(3) Uani 1 1 d . . . . .
N2 N 0.58360(15) 0.25922(8) 0.38319(8) 0.0212(4) Uani 1 1 d . . . . .
H2N H 0.527399 0.239396 0.360883 0.025 Uiso 1 1 d R U . . .
N3 N 0.48521(14) 0.35060(8) 0.34832(8) 0.0172(3) Uani 1 1 d . . . . .
H3N H 0.492406 0.398219 0.340446 0.021 Uiso 1 1 d R U . . .
C1 C 0.58495(17) 0.32443(9) 0.37587(9) 0.0163(4) Uani 1 1 d . . . . .
C2 C 0.68074(17) 0.42332(9) 0.40457(8) 0.0151(4) Uani 1 1 d . . . . .
C3 C 0.79166(16) 0.45522(9) 0.39911(8) 0.0133(4) Uani 1 1 d . . . . .
C4 C 0.80558(17) 0.52047(9) 0.41486(8) 0.0159(4) Uani 1 1 d . . . . .
H4 H 0.881075 0.540747 0.411178 0.019 Uiso 1 1 calc R U . . .
C5 C 0.71004(18) 0.55603(9) 0.43587(9) 0.0191(4) Uani 1 1 d . . . . .
H5 H 0.719088 0.600686 0.445789 0.023 Uiso 1 1 calc R U . . .
C6 C 0.60127(18) 0.52525(10) 0.44210(9) 0.0200(4) Uani 1 1 d . . . . .
H6 H 0.535738 0.549112 0.456916 0.024 Uiso 1 1 calc R U . . .
C7 C 0.58620(18) 0.46020(10) 0.42712(9) 0.0191(4) Uani 1 1 d . . . . .
H7 H 0.510782 0.440268 0.432170 0.023 Uiso 1 1 calc R U . . .
C8 C 1.03894(16) 0.46042(9) 0.36768(9) 0.0147(4) Uani 1 1 d . . . . .
C9 C 1.05313(19) 0.49109(9) 0.31152(9) 0.0214(4) Uani 1 1 d . . . . .
H9 H 0.995253 0.484867 0.279635 0.026 Uiso 1 1 calc R U . . .
C10 C 1.1508(2) 0.53037(10) 0.30217(11) 0.0270(5) Uani 1 1 d . . . . .
H10 H 1.159565 0.551233 0.264031 0.032 Uiso 1 1 calc R U . . .
C11 C 1.23614(19) 0.53937(10) 0.34858(11) 0.0282(5) Uani 1 1 d . . . . .
H11 H 1.304134 0.565589 0.341820 0.034 Uiso 1 1 calc R U . . .
C12 C 1.22217(18) 0.51029(10) 0.40436(10) 0.0248(5) Uani 1 1 d . . . . .
H12 H 1.279794 0.517230 0.436232 0.030 Uiso 1 1 calc R U . . .
C13 C 1.12392(17) 0.47077(9) 0.41419(9) 0.0191(4) Uani 1 1 d . . . . .
H13 H 1.114793 0.450796 0.452721 0.023 Uiso 1 1 calc R U . . .
C14 C 0.95042(16) 0.35381(9) 0.43921(8) 0.0135(4) Uani 1 1 d . . . . .
C15 C 0.99897(17) 0.29235(9) 0.43145(9) 0.0178(4) Uani 1 1 d . . . . .
H15 H 1.009611 0.275869 0.391616 0.021 Uiso 1 1 calc R U . . .
C16 C 1.03191(19) 0.25504(10) 0.48171(10) 0.0248(5) Uani 1 1 d . . . . .
H16 H 1.064768 0.212996 0.476277 0.030 Uiso 1 1 calc R U . . .
C17 C 1.01692(18) 0.27906(11) 0.53981(10) 0.0244(5) Uani 1 1 d . . . . .
H17 H 1.040923 0.253695 0.574129 0.029 Uiso 1 1 calc R U . . .
C18 C 0.96718(18) 0.33977(10) 0.54819(9) 0.0209(4) Uani 1 1 d . . . . .
H18 H 0.956050 0.355871 0.588116 0.025 Uiso 1 1 calc R U . . .
C19 C 0.93373(17) 0.37693(10) 0.49804(9) 0.0179(4) Uani 1 1 d . . . . .
H19 H 0.899137 0.418513 0.503707 0.021 Uiso 1 1 calc R U . . .
C20 C 0.68605(18) 0.22110(9) 0.40548(10) 0.0209(4) Uani 1 1 d . . . . .
H20 H 0.731037 0.246916 0.437100 0.031 Uiso 1 1 calc R U . . .
C21 C 0.7690(2) 0.20546(11) 0.35402(10) 0.0277(5) Uani 1 1 d . . . . .
H21A H 0.726122 0.179474 0.323093 0.042 Uiso 1 1 calc R U . . .
H21B H 0.837749 0.180895 0.370114 0.042 Uiso 1 1 calc R U . . .
H21C H 0.796503 0.245944 0.335678 0.042 Uiso 1 1 calc R U . . .
C22 C 0.6393(2) 0.15944(11) 0.43475(11) 0.0332(5) Uani 1 1 d . . . . .
H22A H 0.588685 0.171023 0.468679 0.050 Uiso 1 1 calc R U . . .
H22B H 0.706539 0.133103 0.449925 0.050 Uiso 1 1 calc R U . . .
H22C H 0.592455 0.134556 0.404489 0.050 Uiso 1 1 calc R U . . .
C23 C 0.36441(17) 0.32349(9) 0.35286(9) 0.0190(4) Uani 1 1 d . . . . .
H23 H 0.366678 0.276651 0.340955 0.029 Uiso 1 1 calc R U . . .
C24 C 0.28210(18) 0.35914(10) 0.30823(10) 0.0250(5) Uani 1 1 d . . . . .
H24A H 0.278194 0.405088 0.319604 0.037 Uiso 1 1 calc R U . . .
H24B H 0.202135 0.340096 0.309133 0.037 Uiso 1 1 calc R U . . .
H24C H 0.312793 0.355280 0.267121 0.037 Uiso 1 1 calc R U . . .
C25 C 0.32246(19) 0.32813(11) 0.41799(10) 0.0270(5) Uani 1 1 d . . . . .
H25A H 0.378207 0.304662 0.445198 0.041 Uiso 1 1 calc R U . . .
H25B H 0.242871 0.308880 0.420412 0.041 Uiso 1 1 calc R U . . .
H25C H 0.319325 0.373836 0.430245 0.041 Uiso 1 1 calc R U . . .
P51 P 0.85553(4) 0.31432(2) 0.18483(2) 0.01252(9) Uani 1 1 d . . . . .
N51 N 0.61940(14) 0.35890(7) 0.21389(7) 0.0145(3) Uani 1 1 d . . . . .
N52 N 0.52634(15) 0.45841(8) 0.21169(8) 0.0194(4) Uani 1 1 d . . . . .
H52N H 0.466623 0.479862 0.195762 0.023 Uiso 1 1 d R U . . .
N53 N 0.43702(15) 0.37312(8) 0.15888(8) 0.0193(4) Uani 1 1 d . . . . .
H53N H 0.444898 0.333621 0.143972 0.023 Uiso 1 1 d R U . . .
C51 C 0.53048(17) 0.39505(9) 0.19490(8) 0.0151(4) Uani 1 1 d . . . . .
C52 C 0.61858(16) 0.29218(9) 0.20394(8) 0.0128(4) Uani 1 1 d . . . . .
C53 C 0.72527(16) 0.26331(9) 0.18456(8) 0.0136(4) Uani 1 1 d . . . . .
C54 C 0.73307(17) 0.19614(9) 0.17659(8) 0.0157(4) Uani 1 1 d . . . . .
H54 H 0.804969 0.177489 0.162976 0.019 Uiso 1 1 calc R U . . .
C55 C 0.63657(18) 0.15654(9) 0.18844(9) 0.0177(4) Uani 1 1 d . . . . .
H55 H 0.641747 0.110944 0.182494 0.021 Uiso 1 1 calc R U . . .
C56 C 0.53244(18) 0.18404(9) 0.20903(9) 0.0178(4) Uani 1 1 d . . . . .
H56 H 0.466857 0.156879 0.218051 0.021 Uiso 1 1 calc R U . . .
C57 C 0.52271(17) 0.25058(9) 0.21663(8) 0.0159(4) Uani 1 1 d . . . . .
H57 H 0.450404 0.268432 0.230597 0.019 Uiso 1 1 calc R U . . .
C58 C 0.97594(17) 0.26477(9) 0.15689(9) 0.0165(4) Uani 1 1 d . . . . .
C59 C 1.06368(18) 0.24053(10) 0.19672(10) 0.0227(4) Uani 1 1 d . . . . .
H59 H 1.059156 0.248324 0.239173 0.027 Uiso 1 1 calc R U . . .
C60 C 1.1579(2) 0.20492(11) 0.17439(12) 0.0324(5) Uani 1 1 d . . . . .
H60 H 1.217780 0.188348 0.201623 0.039 Uiso 1 1 calc R U . . .
C61 C 1.1648(2) 0.19352(11) 0.11261(12) 0.0342(6) Uani 1 1 d . . . . .
H61 H 1.230381 0.169957 0.097486 0.041 Uiso 1 1 calc R U . . .
C62 C 1.0766(2) 0.21626(11) 0.07264(11) 0.0303(5) Uani 1 1 d . . . . .
H62 H 1.080536 0.207239 0.030371 0.036 Uiso 1 1 calc R U . . .
C63 C 0.98252(19) 0.25221(10) 0.09442(9) 0.0232(4) Uani 1 1 d . . . . .
H63 H 0.922513 0.268331 0.067012 0.028 Uiso 1 1 calc R U . . .
C64 C 0.84398(17) 0.37740(9) 0.12759(8) 0.0147(4) Uani 1 1 d . . . . .
C65 C 0.93541(17) 0.42318(10) 0.12701(9) 0.0190(4) Uani 1 1 d . . . . .
H65 H 0.998389 0.421180 0.156804 0.023 Uiso 1 1 calc R U . . .
C66 C 0.93503(19) 0.47158(10) 0.08326(10) 0.0229(4) Uani 1 1 d . . . . .
H66 H 0.997682 0.502595 0.082817 0.027 Uiso 1 1 calc R U . . .
C67 C 0.84239(19) 0.47442(10) 0.04005(9) 0.0229(4) Uani 1 1 d . . . . .
H67 H 0.841694 0.507504 0.009926 0.028 Uiso 1 1 calc R U . . .
C68 C 0.75105(19) 0.42929(10) 0.04066(9) 0.0213(4) Uani 1 1 d . . . . .
H68 H 0.687835 0.431632 0.011014 0.026 Uiso 1 1 calc R U . . .
C69 C 0.75129(18) 0.38064(9) 0.08432(9) 0.0174(4) Uani 1 1 d . . . . .
H69 H 0.688467 0.349730 0.084637 0.021 Uiso 1 1 calc R U . . .
C70 C 0.62328(18) 0.49178(10) 0.24433(10) 0.0208(4) Uani 1 1 d . . . . .
H70 H 0.665747 0.459780 0.271454 0.031 Uiso 1 1 calc R U . . .
C71 C 0.7113(2) 0.51931(13) 0.20061(13) 0.0463(7) Uani 1 1 d . . . . .
H71A H 0.743462 0.484137 0.175970 0.069 Uiso 1 1 calc R U . . .
H71B H 0.776484 0.540621 0.223538 0.069 Uiso 1 1 calc R U . . .
H71C H 0.670968 0.551061 0.173916 0.069 Uiso 1 1 calc R U . . .
C72 C 0.5716(2) 0.54468(10) 0.28352(10) 0.0259(5) Uani 1 1 d . . . . .
H72A H 0.535074 0.578192 0.257373 0.039 Uiso 1 1 calc R U . . .
H72B H 0.635276 0.564078 0.309006 0.039 Uiso 1 1 calc R U . . .
H72C H 0.510984 0.525998 0.309513 0.039 Uiso 1 1 calc R U . . .
C73 C 0.35648(17) 0.41330(10) 0.12076(9) 0.0205(4) Uani 1 1 d . . . . .
H73 H 0.326816 0.450024 0.145932 0.031 Uiso 1 1 calc R U . . .
C74 C 0.4193(2) 0.44122(11) 0.06633(10) 0.0306(5) Uani 1 1 d . . . . .
H74A H 0.489168 0.466152 0.080493 0.046 Uiso 1 1 calc R U . . .
H74B H 0.364460 0.469774 0.043385 0.046 Uiso 1 1 calc R U . . .
H74C H 0.444813 0.405747 0.040008 0.046 Uiso 1 1 calc R U . . .
C75 C 0.2510(2) 0.37110(11) 0.10123(11) 0.0296(5) Uani 1 1 d . . . . .
H75A H 0.278796 0.335012 0.076296 0.044 Uiso 1 1 calc R U . . .
H75B H 0.193327 0.397182 0.077452 0.044 Uiso 1 1 calc R U . . .
H75C H 0.212823 0.353881 0.137367 0.044 Uiso 1 1 calc R U . . .
Sb Sb 0.22771(2) 0.12706(2) 0.36493(2) 0.01882(3) Uani 1 1 d . . . . .
F1 F 0.29460(13) 0.17463(6) 0.42964(6) 0.0356(3) Uani 1 1 d . . . . .
F2 F 0.35907(13) 0.14817(7) 0.31779(7) 0.0405(4) Uani 1 1 d . . . . .
F3 F 0.15026(13) 0.20189(6) 0.33534(6) 0.0365(3) Uani 1 1 d . . . . .
F4 F 0.09487(11) 0.10709(7) 0.41079(6) 0.0343(3) Uani 1 1 d . . . . .
F5 F 0.30532(11) 0.05161(6) 0.39251(6) 0.0324(3) Uani 1 1 d . . . . .
F6 F 0.16190(12) 0.07823(7) 0.29999(6) 0.0362(3) 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 0.0000 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'
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
P1 Au P51 175.836(17) . . ?
C3 P1 C14 104.96(8) . . ?
C3 P1 C8 105.27(9) . . ?
C14 P1 C8 105.63(9) . . ?
C3 P1 Au 115.02(6) . . ?
C14 P1 Au 117.83(6) . . ?
C8 P1 Au 107.10(6) . . ?
C1 N1 C2 123.06(17) . . ?
C1 N2 C20 124.10(17) . . ?
C1 N2 H2N 113.7 . . ?
C20 N2 H2N 118.5 . . ?
C1 N3 C23 124.30(16) . . ?
C1 N3 H3N 113.2 . . ?
C23 N3 H3N 117.6 . . ?
N1 C1 N2 118.93(18) . . ?
N1 C1 N3 125.39(17) . . ?
N2 C1 N3 115.61(17) . . ?
N1 C2 C7 127.07(17) . . ?
N1 C2 C3 115.61(16) . . ?
C7 C2 C3 116.96(17) . . ?
C4 C3 C2 121.21(17) . . ?
C4 C3 P1 122.93(15) . . ?
C2 C3 P1 115.78(13) . . ?
C5 C4 C3 120.57(18) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C6 C5 C4 118.86(18) . . ?
C6 C5 H5 120.6 . . ?
C4 C5 H5 120.6 . . ?
C5 C6 C7 121.28(18) . . ?
C5 C6 H6 119.4 . . ?
C7 C6 H6 119.4 . . ?
C6 C7 C2 121.11(18) . . ?
C6 C7 H7 119.4 . . ?
C2 C7 H7 119.4 . . ?
C13 C8 C9 118.99(18) . . ?
C13 C8 P1 123.29(15) . . ?
C9 C8 P1 117.63(15) . . ?
C10 C9 C8 120.4(2) . . ?
C10 C9 H9 119.8 . . ?
C8 C9 H9 119.8 . . ?
C9 C10 C11 120.0(2) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.1(2) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C13 120.3(2) . . ?
C11 C12 H12 119.9 . . ?
C13 C12 H12 119.9 . . ?
C12 C13 C8 120.21(19) . . ?
C12 C13 H13 119.9 . . ?
C8 C13 H13 119.9 . . ?
C15 C14 C19 119.21(18) . . ?
C15 C14 P1 121.21(14) . . ?
C19 C14 P1 119.54(14) . . ?
C16 C15 C14 120.17(18) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 120.02(19) . . ?
C17 C16 H16 120.0 . . ?
C15 C16 H16 120.0 . . ?
C18 C17 C16 120.41(19) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C17 C18 C19 119.61(19) . . ?
C17 C18 H18 120.2 . . ?
C19 C18 H18 120.2 . . ?
C18 C19 C14 120.57(19) . . ?
C18 C19 H19 119.7 . . ?
C14 C19 H19 119.7 . . ?
N2 C20 C21 110.87(17) . . ?
N2 C20 C22 108.13(17) . . ?
C21 C20 C22 111.35(18) . . ?
N2 C20 H20 108.8 . . ?
C21 C20 H20 108.8 . . ?
C22 C20 H20 108.8 . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
N3 C23 C24 108.46(16) . . ?
N3 C23 C25 110.54(16) . . ?
C24 C23 C25 112.23(17) . . ?
N3 C23 H23 108.5 . . ?
C24 C23 H23 108.5 . . ?
C25 C23 H23 108.5 . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C53 P51 C64 112.04(9) . . ?
C53 P51 C58 106.46(9) . . ?
C64 P51 C58 101.93(9) . . ?
C53 P51 Au 107.89(6) . . ?
C64 P51 Au 112.10(6) . . ?
C58 P51 Au 116.30(7) . . ?
C51 N51 C52 120.82(16) . . ?
C51 N52 C70 123.79(16) . . ?
C51 N52 H52N 114.3 . . ?
C70 N52 H52N 121.0 . . ?
C51 N53 C73 126.20(16) . . ?
C51 N53 H53N 115.8 . . ?
C73 N53 H53N 112.0 . . ?
N51 C51 N52 119.61(17) . . ?
N51 C51 N53 124.16(17) . . ?
N52 C51 N53 116.22(17) . . ?
N51 C52 C57 124.80(17) . . ?
N51 C52 C53 117.45(16) . . ?
C57 C52 C53 117.52(16) . . ?
C54 C53 C52 120.72(17) . . ?
C54 C53 P51 121.62(14) . . ?
C52 C53 P51 116.64(13) . . ?
C55 C54 C53 120.44(18) . . ?
C55 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C54 C55 C56 119.43(17) . . ?
C54 C55 H55 120.3 . . ?
C56 C55 H55 120.3 . . ?
C57 C56 C55 120.92(18) . . ?
C57 C56 H56 119.5 . . ?
C55 C56 H56 119.5 . . ?
C56 C57 C52 120.94(18) . . ?
C56 C57 H57 119.5 . . ?
C52 C57 H57 119.5 . . ?
C59 C58 C63 119.58(18) . . ?
C59 C58 P51 120.60(15) . . ?
C63 C58 P51 119.80(15) . . ?
C60 C59 C58 120.0(2) . . ?
C60 C59 H59 120.0 . . ?
C58 C59 H59 120.0 . . ?
C61 C60 C59 120.2(2) . . ?
C61 C60 H60 119.9 . . ?
C59 C60 H60 119.9 . . ?
C60 C61 C62 120.4(2) . . ?
C60 C61 H61 119.8 . . ?
C62 C61 H61 119.8 . . ?
C61 C62 C63 119.9(2) . . ?
C61 C62 H62 120.1 . . ?
C63 C62 H62 120.1 . . ?
C62 C63 C58 120.0(2) . . ?
C62 C63 H63 120.0 . . ?
C58 C63 H63 120.0 . . ?
C69 C64 C65 119.81(18) . . ?
C69 C64 P51 123.14(15) . . ?
C65 C64 P51 117.02(15) . . ?
C66 C65 C64 120.41(18) . . ?
C66 C65 H65 119.8 . . ?
C64 C65 H65 119.8 . . ?
C65 C66 C67 119.48(19) . . ?
C65 C66 H66 120.3 . . ?
C67 C66 H66 120.3 . . ?
C68 C67 C66 120.31(19) . . ?
C68 C67 H67 119.8 . . ?
C66 C67 H67 119.8 . . ?
C67 C68 C69 120.36(19) . . ?
C67 C68 H68 119.8 . . ?
C69 C68 H68 119.8 . . ?
C68 C69 C64 119.62(18) . . ?
C68 C69 H69 120.2 . . ?
C64 C69 H69 120.2 . . ?
N52 C70 C71 110.88(18) . . ?
N52 C70 C72 109.05(17) . . ?
C71 C70 C72 111.15(18) . . ?
N52 C70 H70 108.6 . . ?
C71 C70 H70 108.6 . . ?
C72 C70 H70 108.6 . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
C70 C72 H72A 109.5 . . ?
C70 C72 H72B 109.5 . . ?
H72A C72 H72B 109.5 . . ?
C70 C72 H72C 109.5 . . ?
H72A C72 H72C 109.5 . . ?
H72B C72 H72C 109.5 . . ?
N53 C73 C74 111.74(17) . . ?
N53 C73 C75 107.43(16) . . ?
C74 C73 C75 111.69(18) . . ?
N53 C73 H73 108.6 . . ?
C74 C73 H73 108.6 . . ?
C75 C73 H73 108.6 . . ?
C73 C74 H74A 109.5 . . ?
C73 C74 H74B 109.5 . . ?
H74A C74 H74B 109.5 . . ?
C73 C74 H74C 109.5 . . ?
H74A C74 H74C 109.5 . . ?
H74B C74 H74C 109.5 . . ?
C73 C75 H75A 109.5 . . ?
C73 C75 H75B 109.5 . . ?
H75A C75 H75B 109.5 . . ?
C73 C75 H75C 109.5 . . ?
H75A C75 H75C 109.5 . . ?
H75B C75 H75C 109.5 . . ?
F1 Sb F4 90.76(6) . . ?
F1 Sb F5 90.92(6) . . ?
F4 Sb F5 90.77(6) . . ?
F1 Sb F3 90.27(6) . . ?
F4 Sb F3 89.95(6) . . ?
F5 Sb F3 178.60(6) . . ?
F1 Sb F2 89.70(6) . . ?
F4 Sb F2 178.80(7) . . ?
F5 Sb F2 90.33(6) . . ?
F3 Sb F2 88.94(6) . . ?
F1 Sb F6 179.20(6) . . ?
F4 Sb F6 89.46(6) . . ?
F5 Sb F6 88.30(6) . . ?
F3 Sb F6 90.50(6) . . ?
F2 Sb F6 90.10(6) . . ?
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
Au P1 2.3006(5) . ?
Au P51 2.3036(5) . ?
P1 C3 1.8039(19) . ?
P1 C14 1.8107(19) . ?
P1 C8 1.8214(19) . ?
N1 C1 1.315(2) . ?
N1 C2 1.391(2) . ?
N2 C1 1.353(2) . ?
N2 C20 1.464(2) . ?
N2 H2N 0.8868 . ?
N3 C1 1.367(2) . ?
N3 C23 1.472(2) . ?
N3 H3N 0.9995 . ?
C2 C7 1.407(3) . ?
C2 C3 1.416(3) . ?
C3 C4 1.395(3) . ?
C4 C5 1.389(3) . ?
C4 H4 0.9500 . ?
C5 C6 1.386(3) . ?
C5 H5 0.9500 . ?
C6 C7 1.389(3) . ?
C6 H6 0.9500 . ?
C7 H7 0.9500 . ?
C8 C13 1.394(3) . ?
C8 C9 1.400(3) . ?
C9 C10 1.382(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.391(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.378(3) . ?
C11 H11 0.9500 . ?
C12 C13 1.392(3) . ?
C12 H12 0.9500 . ?
C13 H13 0.9500 . ?
C14 C15 1.391(3) . ?
C14 C19 1.396(3) . ?
C15 C16 1.387(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.385(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.384(3) . ?
C17 H17 0.9500 . ?
C18 C19 1.385(3) . ?
C18 H18 0.9500 . ?
C19 H19 0.9500 . ?
C20 C21 1.521(3) . ?
C20 C22 1.524(3) . ?
C20 H20 1.0000 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.517(3) . ?
C23 C25 1.524(3) . ?
C23 H23 1.0000 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
P51 C53 1.7998(19) . ?
P51 C64 1.8106(19) . ?
P51 C58 1.8147(19) . ?
N51 C51 1.304(2) . ?
N51 C52 1.391(2) . ?
N52 C51 1.357(2) . ?
N52 C70 1.457(2) . ?
N52 H52N 0.8676 . ?
N53 C51 1.372(2) . ?
N53 C73 1.469(2) . ?
N53 H53N 0.8825 . ?
C52 C57 1.410(3) . ?
C52 C53 1.414(3) . ?
C53 C54 1.397(3) . ?
C54 C55 1.386(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.387(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.385(3) . ?
C56 H56 0.9500 . ?
C57 H57 0.9500 . ?
C58 C59 1.391(3) . ?
C58 C63 1.402(3) . ?
C59 C60 1.388(3) . ?
C59 H59 0.9500 . ?
C60 C61 1.383(3) . ?
C60 H60 0.9500 . ?
C61 C62 1.385(3) . ?
C61 H61 0.9500 . ?
C62 C63 1.386(3) . ?
C62 H62 0.9500 . ?
C63 H63 0.9500 . ?
C64 C69 1.390(3) . ?
C64 C65 1.394(3) . ?
C65 C66 1.385(3) . ?
C65 H65 0.9500 . ?
C66 C67 1.388(3) . ?
C66 H66 0.9500 . ?
C67 C68 1.384(3) . ?
C67 H67 0.9500 . ?
C68 C69 1.387(3) . ?
C68 H68 0.9500 . ?
C69 H69 0.9500 . ?
C70 C71 1.509(3) . ?
C70 C72 1.515(3) . ?
C70 H70 1.0000 . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C72 H72A 0.9800 . ?
C72 H72B 0.9800 . ?
C72 H72C 0.9800 . ?
C73 C74 1.520(3) . ?
C73 C75 1.520(3) . ?
C73 H73 1.0000 . ?
C74 H74A 0.9800 . ?
C74 H74B 0.9800 . ?
C74 H74C 0.9800 . ?
C75 H75A 0.9800 . ?
C75 H75B 0.9800 . ?
C75 H75C 0.9800 . ?
Sb F1 1.8665(13) . ?
Sb F4 1.8700(12) . ?
Sb F5 1.8732(12) . ?
Sb F3 1.8761(12) . ?
Sb F2 1.8780(13) . ?
Sb F6 1.8793(12) . ?
