#------------------------------------------------------------------------------
#$Date: 2021-10-06 18:40:04 +0300 (Wed, 06 Oct 2021) $
#$Revision: 269722 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/82/7708233.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_7708233
loop_
_publ_author_name
'Shmelev, Nikita Y.'
'Okubazghi, Tesfu H.'
'Abramov, Pavel A.'
'Komarov, Vladislav Y.'
'Rakhmanova, Mariana I.'
'Novikov, Alexander S.'
'Gushchin, Artem L.'
_publ_section_title
;
 Intramolecular aurophilic interactions in dinuclear gold(I) complexes
 with twisted bridging 2,2'-bipyridine ligands.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12448
_journal_page_last               12456
_journal_paper_doi               10.1039/d1dt02164h
_journal_volume                  50
_journal_year                    2021
_chemical_formula_sum            'C48 H38 Au2 F6 N2 O6 P2 S2'
_chemical_formula_weight         1372.79
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2017/1
_audit_update_record
;
2021-05-24 deposited with the CCDC.	2021-08-17 downloaded from the CCDC.
;
_cell_angle_alpha                93.626(2)
_cell_angle_beta                 98.353(2)
_cell_angle_gamma                90.210(2)
_cell_formula_units_Z            2
_cell_length_a                   10.5373(8)
_cell_length_b                   10.6701(7)
_cell_length_c                   21.6072(17)
_cell_measurement_reflns_used    4099
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      24.3427
_cell_measurement_theta_min      2.1921
_cell_volume                     2398.6(3)
_computing_cell_refinement       'SAINT (Bruker-AXS, 2004)'
_computing_data_collection       'APEX2 (Bruker-AXS, 2004)'
_computing_data_reduction        'SAINT (Bruker-AXS, 2004)'
_computing_molecular_graphics    'ShelXle (Hübschle, 2011)'
_computing_publication_material  'CIFTAB-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 25
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0842
_diffrn_reflns_av_unetI/netI     0.1049
_diffrn_reflns_Laue_measured_fraction_full 0.991
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            23514
_diffrn_reflns_point_group_measured_fraction_full 0.991
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        24.459
_diffrn_reflns_theta_max         24.459
_diffrn_reflns_theta_min         1.913
_diffrn_source                   'sealed X-ray tube'
_exptl_absorpt_coefficient_mu    6.337
_exptl_absorpt_correction_T_max  0.7451
_exptl_absorpt_correction_T_min  0.5519
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker-AXS, 2004)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.901
_exptl_crystal_description       block
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.030
_refine_diff_density_max         1.185
_refine_diff_density_min         -1.311
_refine_diff_density_rms         0.169
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     613
_refine_ls_number_reflns         7904
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.011
_refine_ls_R_factor_all          0.0769
_refine_ls_R_factor_gt           0.0465
_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)] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0941
_refine_ls_wR_factor_ref         0.1020
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5712
_reflns_number_total             7904
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            d1dt02164h2.cif
_cod_data_source_block           ns240
_cod_depositor_comments
'Adding full bibliography for 7708233--7708237.cif.'
_cod_database_code               7708233
_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   0.430
_shelx_estimated_absorpt_t_max   0.833
loop_
_space_group_symop_operation_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 0.7021(8) 0.7237(8) 0.6779(4) 0.025(2) Uani 1 1 d . . . . .
C2 C 0.6245(9) 0.7672(8) 0.6261(4) 0.026(2) Uani 1 1 d . . . . .
H2 H 0.634905 0.737812 0.584770 0.031 Uiso 1 1 calc R U . . .
C3 C 0.5306(9) 0.8559(9) 0.6367(5) 0.032(2) Uani 1 1 d . . . . .
H3 H 0.476979 0.887881 0.602251 0.038 Uiso 1 1 calc R U . . .
C4 C 0.5163(9) 0.8961(8) 0.6966(5) 0.031(2) Uani 1 1 d . . . . .
H4 H 0.451090 0.954309 0.703578 0.037 Uiso 1 1 calc R U . . .
C5 C 0.5963(10) 0.8525(9) 0.7473(5) 0.038(3) Uani 1 1 d . . . . .
H5 H 0.588560 0.884607 0.788625 0.046 Uiso 1 1 calc R U . . .
C6 C 0.6867(10) 0.7633(8) 0.7383(5) 0.031(2) Uani 1 1 d . . . . .
H6 H 0.737834 0.729553 0.773048 0.038 Uiso 1 1 calc R U . . .
C7 C 0.9621(8) 0.6972(8) 0.6474(4) 0.024(2) Uani 1 1 d . . . . .
C8 C 0.9426(9) 0.7892(9) 0.6051(4) 0.031(2) Uani 1 1 d . . . . .
H8 H 0.858381 0.807895 0.586102 0.037 Uiso 1 1 calc R U . . .
C9 C 1.0486(9) 0.8545(8) 0.5905(4) 0.029(2) Uani 1 1 d . . . . .
H9 H 1.036093 0.917648 0.561154 0.035 Uiso 1 1 calc R U . . .
C10 C 1.1685(9) 0.8288(9) 0.6176(5) 0.032(2) Uani 1 1 d . . . . .
H10 H 1.239048 0.875883 0.608091 0.038 Uiso 1 1 calc R U . . .
C11 C 1.1900(9) 0.7360(9) 0.6587(5) 0.031(2) Uani 1 1 d . . . . .
H11 H 1.274905 0.717953 0.677109 0.038 Uiso 1 1 calc R U . . .
C12 C 1.0848(9) 0.6676(9) 0.6734(4) 0.030(2) Uani 1 1 d . . . . .
H12 H 1.098359 0.601493 0.701017 0.036 Uiso 1 1 calc R U . . .
C13 C 0.7675(8) 0.5120(8) 0.5970(4) 0.023(2) Uani 1 1 d . . . . .
C14 C 0.8479(9) 0.4766(8) 0.5543(5) 0.034(2) Uani 1 1 d . . . . .
H14 H 0.933831 0.507412 0.561243 0.040 Uiso 1 1 calc R U . . .
C15 C 0.8085(10) 0.3987(10) 0.5023(5) 0.043(3) Uani 1 1 d . . . . .
H15 H 0.865807 0.374934 0.473617 0.052 Uiso 1 1 calc R U . . .
C16 C 0.6796(10) 0.3545(9) 0.4923(5) 0.038(3) Uani 1 1 d . . . . .
H16 H 0.648883 0.301463 0.456197 0.046 Uiso 1 1 calc R U . . .
C17 C 0.5995(10) 0.3883(9) 0.5349(5) 0.038(3) Uani 1 1 d . . . . .
H17 H 0.513398 0.357982 0.528556 0.046 Uiso 1 1 calc R U . . .
C18 C 0.6433(9) 0.4663(9) 0.5869(5) 0.034(2) Uani 1 1 d . . . . .
H18 H 0.587137 0.488893 0.616308 0.041 Uiso 1 1 calc R U . . .
C19 C 0.6709(9) 0.1431(8) 0.6396(5) 0.031(2) Uani 1 1 d . . . . .
H19 H 0.584035 0.126868 0.621848 0.037 Uiso 1 1 calc R U . . .
C20 C 0.7655(10) 0.1314(9) 0.6009(5) 0.038(3) Uani 1 1 d . . . . .
H20 H 0.744274 0.105717 0.557752 0.046 Uiso 1 1 calc R U . . .
C21 C 0.8886(10) 0.1576(10) 0.6265(5) 0.043(3) Uani 1 1 d . . . . .
H21 H 0.954949 0.152503 0.601031 0.052 Uiso 1 1 calc R U . . .
C22 C 0.9170(9) 0.1916(9) 0.6896(5) 0.038(3) Uani 1 1 d . . . . .
H22 H 1.003658 0.208134 0.707553 0.045 Uiso 1 1 calc R U . . .
C23 C 0.8212(9) 0.2020(8) 0.7273(5) 0.030(2) Uani 1 1 d . . . . .
C24 C 0.8497(8) 0.2308(8) 0.7961(4) 0.024(2) Uani 1 1 d . U . . .
C25 C 0.8459(8) 0.1406(9) 0.8369(4) 0.027(2) Uani 1 1 d . . . . .
H25 H 0.822131 0.056487 0.822738 0.033 Uiso 1 1 calc R U . . .
C26 C 0.8782(9) 0.1753(9) 0.9008(5) 0.036(3) Uani 1 1 d . . . . .
H26 H 0.881489 0.113599 0.930770 0.044 Uiso 1 1 calc R U . . .
C27 C 0.9051(8) 0.2987(9) 0.9199(5) 0.032(2) Uani 1 1 d . . . . .
H27 H 0.924992 0.323760 0.963253 0.039 Uiso 1 1 calc R U . . .
C28 C 0.9029(8) 0.3864(9) 0.8751(5) 0.033(2) Uani 1 1 d . . . . .
H28 H 0.920063 0.472134 0.888377 0.040 Uiso 1 1 calc R U . . .
C29 C 0.2915(9) 0.1263(8) 0.8254(4) 0.027(2) Uani 1 1 d . . . . .
C30 C 0.2369(8) 0.0669(8) 0.7682(5) 0.028(2) Uani 1 1 d . . . . .
H30 H 0.267419 0.086523 0.730666 0.033 Uiso 1 1 calc R U . . .
C31 C 0.1404(9) -0.0188(9) 0.7659(5) 0.032(2) Uani 1 1 d . . . . .
H31 H 0.106036 -0.060293 0.726840 0.039 Uiso 1 1 calc R U . . .
C32 C 0.0908(9) -0.0470(9) 0.8198(5) 0.034(2) Uani 1 1 d . . . . .
H32 H 0.021907 -0.105605 0.817424 0.041 Uiso 1 1 calc R U . . .
C33 C 0.1431(8) 0.0112(8) 0.8767(4) 0.027(2) Uani 1 1 d . . . . .
H33 H 0.111247 -0.008531 0.913905 0.033 Uiso 1 1 calc R U . . .
C34 C 0.2419(9) 0.0984(9) 0.8798(4) 0.030(2) Uani 1 1 d . . . . .
H34 H 0.276185 0.139493 0.918972 0.036 Uiso 1 1 calc R U . . .
C35 C 0.3560(8) 0.3922(8) 0.8254(4) 0.024(2) Uani 1 1 d . . . . .
C36 C 0.2420(8) 0.4248(8) 0.8473(5) 0.030(2) Uani 1 1 d . . . . .
H36 H 0.194560 0.362266 0.863805 0.036 Uiso 1 1 calc R U . . .
C37 C 0.1958(10) 0.5455(10) 0.8456(5) 0.041(3) Uani 1 1 d . . . . .
H37 H 0.116243 0.564584 0.859497 0.049 Uiso 1 1 calc R U . . .
C38 C 0.2653(9) 0.6382(9) 0.8236(5) 0.033(2) Uani 1 1 d . . . . .
H38 H 0.236458 0.722437 0.824443 0.040 Uiso 1 1 calc R U . . .
C39 C 0.3793(10) 0.6070(9) 0.8001(5) 0.043(3) Uani 1 1 d . . . . .
H39 H 0.425554 0.670051 0.783259 0.051 Uiso 1 1 calc R U . . .
C40 C 0.4245(9) 0.4874(8) 0.8010(5) 0.030(2) Uani 1 1 d . . . . .
H40 H 0.502114 0.467927 0.785207 0.036 Uiso 1 1 calc R U . . .
C41 C 0.5153(8) 0.2324(9) 0.9057(4) 0.030(2) Uani 1 1 d . . . . .
C42 C 0.5609(9) 0.1154(9) 0.9261(5) 0.033(2) Uani 1 1 d . . . . .
H42 H 0.538387 0.040395 0.900693 0.040 Uiso 1 1 calc R U . . .
C43 C 0.6738(9) 0.2154(9) 1.0204(5) 0.031(2) Uani 1 1 d . . . . .
H43 H 0.727906 0.209004 1.059208 0.037 Uiso 1 1 calc R U . . .
C44 C 0.6309(9) 0.3325(9) 1.0017(5) 0.035(2) Uani 1 1 d . . . . .
H44 H 0.656246 0.406134 1.027635 0.042 Uiso 1 1 calc R U . . .
C45 C 0.5501(9) 0.3412(9) 0.9446(5) 0.034(2) Uani 1 1 d . . . . .
H45 H 0.518934 0.420652 0.932174 0.041 Uiso 1 1 calc R U . . .
C46 C 0.2494(11) 0.3194(11) 0.6158(6) 0.053(3) Uani 1 1 d . . . . .
C47 C 0.7264(10) 0.6980(11) 0.9363(6) 0.049(3) Uani 1 1 d . . . . .
C48 C 0.6381(9) 0.1107(9) 0.9830(5) 0.039(3) Uani 1 1 d . . . . .
H48 H 0.667358 0.031508 0.996542 0.046 Uiso 1 1 calc R U . . .
Au1 Au 0.55589(3) 0.20097(3) 0.75857(2) 0.02555(12) Uani 1 1 d . . . . .
Au2 Au 0.86320(3) 0.48600(3) 0.74687(2) 0.02680(12) Uani 1 1 d . . . . .
F1 F 0.3570(7) 0.3875(7) 0.6315(4) 0.078(2) Uani 1 1 d . . . . .
F2 F 0.1670(8) 0.3894(7) 0.5829(4) 0.098(3) Uani 1 1 d . . . . .
F3 F 0.2041(7) 0.3051(6) 0.6687(3) 0.067(2) Uani 1 1 d . . . . .
F4 F 0.6308(7) 0.7740(7) 0.9453(4) 0.093(3) Uani 1 1 d . . . . .
F5 F 0.7481(9) 0.6282(8) 0.9855(4) 0.101(3) Uani 1 1 d . . . . .
F6 F 0.6870(6) 0.6197(6) 0.8880(4) 0.067(2) Uani 1 1 d . . . . .
N1 N 0.6978(7) 0.1762(6) 0.7005(4) 0.0254(18) Uani 1 1 d . . . . .
N2 N 0.8775(7) 0.3540(7) 0.8140(4) 0.0279(18) Uani 1 1 d . . . . .
O1 O 0.3561(7) 0.1095(7) 0.6203(4) 0.054(2) Uani 1 1 d . . . . .
O2 O 0.1486(7) 0.1208(7) 0.5571(4) 0.056(2) Uani 1 1 d . . . . .
O3 O 0.3372(7) 0.2090(8) 0.5224(4) 0.059(2) Uani 1 1 d . . . . .
O4 O 0.9573(7) 0.6931(7) 0.9169(4) 0.060(2) Uani 1 1 d . . . . .
O5 O 0.8191(8) 0.8577(7) 0.8725(3) 0.057(2) Uani 1 1 d . . . . .
O6 O 0.8951(8) 0.8642(7) 0.9836(3) 0.053(2) Uani 1 1 d . . . . .
P1 P 0.4229(2) 0.2382(2) 0.82945(12) 0.0245(5) Uani 1 1 d . . . . .
P2 P 0.8263(2) 0.6100(2) 0.66658(11) 0.0239(5) Uani 1 1 d . . . . .
S1 S 0.2752(2) 0.1732(2) 0.57385(13) 0.0351(6) Uani 1 1 d . . . . .
S2 S 0.8659(2) 0.7890(2) 0.92572(12) 0.0313(6) 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'
O O 0.0106 0.0060 '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'
S S 0.1246 0.1234 '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 121.7(8) . . ?
C6 C1 P2 118.4(7) . . ?
C2 C1 P2 119.8(7) . . ?
C1 C2 C3 118.2(9) . . ?
C1 C2 H2 120.9 . . ?
C3 C2 H2 120.9 . . ?
C4 C3 C2 120.0(9) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C3 C4 C5 120.5(9) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C6 C5 C4 120.5(9) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C1 118.9(9) . . ?
C5 C6 H6 120.5 . . ?
C1 C6 H6 120.5 . . ?
C8 C7 C12 120.3(8) . . ?
C8 C7 P2 120.0(7) . . ?
C12 C7 P2 119.7(7) . . ?
C7 C8 C9 119.2(9) . . ?
C7 C8 H8 120.4 . . ?
C9 C8 H8 120.4 . . ?
C10 C9 C8 120.6(9) . . ?
C10 C9 H9 119.7 . . ?
C8 C9 H9 119.7 . . ?
C9 C10 C11 121.1(9) . . ?
C9 C10 H10 119.5 . . ?
C11 C10 H10 119.5 . . ?
C10 C11 C12 119.2(9) . . ?
C10 C11 H11 120.4 . . ?
C12 C11 H11 120.4 . . ?
C7 C12 C11 119.5(9) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 C18 118.6(9) . . ?
C14 C13 P2 120.5(7) . . ?
C18 C13 P2 120.8(7) . . ?
C15 C14 C13 122.4(9) . . ?
C15 C14 H14 118.8 . . ?
C13 C14 H14 118.8 . . ?
C14 C15 C16 118.1(10) . . ?
C14 C15 H15 120.9 . . ?
C16 C15 H15 120.9 . . ?
C17 C16 C15 119.8(9) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.2(9) . . ?
C16 C17 H17 119.9 . . ?
C18 C17 H17 119.9 . . ?
C13 C18 C17 120.9(9) . . ?
C13 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
N1 C19 C20 122.3(9) . . ?
N1 C19 H19 118.9 . . ?
C20 C19 H19 118.9 . . ?
C21 C20 C19 118.3(10) . . ?
C21 C20 H20 120.8 . . ?
C19 C20 H20 120.8 . . ?
C20 C21 C22 119.6(10) . . ?
C20 C21 H21 120.2 . . ?
C22 C21 H21 120.2 . . ?
C21 C22 C23 121.0(10) . . ?
C21 C22 H22 119.5 . . ?
C23 C22 H22 119.5 . . ?
N1 C23 C22 118.4(9) . . ?
N1 C23 C24 119.3(8) . . ?
C22 C23 C24 122.2(9) . . ?
C25 C24 N2 123.7(9) . . ?
C25 C24 C23 121.5(8) . . ?
N2 C24 C23 114.9(7) . . ?
C24 C25 C26 117.6(9) . . ?
C24 C25 H25 121.2 . . ?
C26 C25 H25 121.2 . . ?
C27 C26 C25 119.8(9) . . ?
C27 C26 H26 120.1 . . ?
C25 C26 H26 120.1 . . ?
C26 C27 C28 119.0(10) . . ?
C26 C27 H27 120.5 . . ?
C28 C27 H27 120.5 . . ?
N2 C28 C27 122.0(9) . . ?
N2 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
C30 C29 C34 118.6(9) . . ?
C30 C29 P1 121.0(7) . . ?
C34 C29 P1 120.5(7) . . ?
C31 C30 C29 120.4(9) . . ?
C31 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C30 C31 C32 121.2(9) . . ?
C30 C31 H31 119.4 . . ?
C32 C31 H31 119.4 . . ?
C33 C32 C31 119.2(9) . . ?
C33 C32 H32 120.4 . . ?
C31 C32 H32 120.4 . . ?
C32 C33 C34 120.2(9) . . ?
C32 C33 H33 119.9 . . ?
C34 C33 H33 119.9 . . ?
C33 C34 C29 120.3(9) . . ?
C33 C34 H34 119.8 . . ?
C29 C34 H34 119.8 . . ?
C36 C35 C40 117.8(8) . . ?
C36 C35 P1 123.4(6) . . ?
C40 C35 P1 118.7(7) . . ?
C37 C36 C35 121.8(9) . . ?
C37 C36 H36 119.1 . . ?
C35 C36 H36 119.1 . . ?
C38 C37 C36 119.9(9) . . ?
C38 C37 H37 120.1 . . ?
C36 C37 H37 120.1 . . ?
C37 C38 C39 119.3(9) . . ?
C37 C38 H38 120.3 . . ?
C39 C38 H38 120.3 . . ?
C40 C39 C38 120.9(9) . . ?
C40 C39 H39 119.5 . . ?
C38 C39 H39 119.5 . . ?
C39 C40 C35 120.2(9) . . ?
C39 C40 H40 119.9 . . ?
C35 C40 H40 119.9 . . ?
C45 C41 C42 118.7(9) . . ?
C45 C41 P1 122.1(7) . . ?
C42 C41 P1 119.0(8) . . ?
C48 C42 C41 119.5(9) . . ?
C48 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
C48 C43 C44 119.8(9) . . ?
C48 C43 H43 120.1 . . ?
C44 C43 H43 120.1 . . ?
C43 C44 C45 119.8(9) . . ?
C43 C44 H44 120.1 . . ?
C45 C44 H44 120.1 . . ?
C44 C45 C41 119.9(9) . . ?
C44 C45 H45 120.1 . . ?
C41 C45 H45 120.1 . . ?
F2 C46 F3 106.1(11) . . ?
F2 C46 F1 106.9(10) . . ?
F3 C46 F1 105.7(10) . . ?
F2 C46 S1 111.9(9) . . ?
F3 C46 S1 113.3(8) . . ?
F1 C46 S1 112.5(9) . . ?
F6 C47 F4 108.1(10) . . ?
F6 C47 F5 105.9(10) . . ?
F4 C47 F5 107.4(10) . . ?
F6 C47 S2 112.7(8) . . ?
F4 C47 S2 109.9(8) . . ?
F5 C47 S2 112.6(8) . . ?
C43 C48 C42 122.2(9) . . ?
C43 C48 H48 118.9 . . ?
C42 C48 H48 118.9 . . ?
N1 Au1 P1 173.0(2) . . ?
N2 Au2 P2 171.8(2) . . ?
C19 N1 C23 120.4(8) . . ?
C19 N1 Au1 122.7(6) . . ?
C23 N1 Au1 116.8(6) . . ?
C28 N2 C24 117.9(8) . . ?
C28 N2 Au2 122.1(6) . . ?
C24 N2 Au2 119.7(6) . . ?
C35 P1 C41 106.8(4) . . ?
C35 P1 C29 107.9(4) . . ?
C41 P1 C29 106.9(4) . . ?
C35 P1 Au1 111.9(3) . . ?
C41 P1 Au1 107.6(3) . . ?
C29 P1 Au1 115.3(3) . . ?
C13 P2 C7 105.8(4) . . ?
C13 P2 C1 107.0(4) . . ?
C7 P2 C1 106.9(4) . . ?
C13 P2 Au2 107.8(3) . . ?
C7 P2 Au2 117.3(3) . . ?
C1 P2 Au2 111.5(3) . . ?
O1 S1 O2 114.9(5) . . ?
O1 S1 O3 114.4(5) . . ?
O2 S1 O3 115.6(5) . . ?
O1 S1 C46 101.7(5) . . ?
O2 S1 C46 103.5(5) . . ?
O3 S1 C46 104.3(5) . . ?
O4 S2 O5 116.9(5) . . ?
O4 S2 O6 114.2(5) . . ?
O5 S2 O6 114.7(5) . . ?
O4 S2 C47 102.0(5) . . ?
O5 S2 C47 102.5(5) . . ?
O6 S2 C47 103.8(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
C1 C6 1.377(13) . ?
C1 C2 1.392(12) . ?
C1 P2 1.820(9) . ?
C2 C3 1.404(13) . ?
C2 H2 0.9500 . ?
C3 C4 1.367(13) . ?
C3 H3 0.9500 . ?
C4 C5 1.388(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.375(13) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.378(12) . ?
C7 C12 1.380(12) . ?
C7 P2 1.815(9) . ?
C8 C9 1.399(12) . ?
C8 H8 0.9500 . ?
C9 C10 1.350(13) . ?
C9 H9 0.9500 . ?
C10 C11 1.369(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.411(12) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.377(12) . ?
C13 C18 1.377(12) . ?
C13 P2 1.807(9) . ?
C14 C15 1.368(13) . ?
C14 H14 0.9500 . ?
C15 C16 1.418(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.370(14) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(13) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 N1 1.330(11) . ?
C19 C20 1.391(13) . ?
C19 H19 0.9500 . ?
C20 C21 1.355(14) . ?
C20 H20 0.9500 . ?
C21 C22 1.378(14) . ?
C21 H21 0.9500 . ?
C22 C23 1.387(13) . ?
C22 H22 0.9500 . ?
C23 N1 1.364(12) . ?
C23 C24 1.487(13) . ?
C24 C25 1.351(12) . ?
C24 N2 1.364(11) . ?
C25 C26 1.398(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.371(13) . ?
C26 H26 0.9500 . ?
C27 C28 1.386(13) . ?
C27 H27 0.9500 . ?
C28 N2 1.333(12) . ?
C28 H28 0.9500 . ?
C29 C30 1.397(13) . ?
C29 C34 1.402(12) . ?
C29 P1 1.814(9) . ?
C30 C31 1.359(12) . ?
C30 H30 0.9500 . ?
C31 C32 1.392(13) . ?
C31 H31 0.9500 . ?
C32 C33 1.381(13) . ?
C32 H32 0.9500 . ?
C33 C34 1.384(12) . ?
C33 H33 0.9500 . ?
C34 H34 0.9500 . ?
C35 C36 1.391(12) . ?
C35 C40 1.416(12) . ?
C35 P1 1.793(9) . ?
C36 C37 1.378(13) . ?
C36 H36 0.9500 . ?
C37 C38 1.376(14) . ?
C37 H37 0.9500 . ?
C38 C39 1.404(14) . ?
C38 H38 0.9500 . ?
C39 C40 1.364(13) . ?
C39 H39 0.9500 . ?
C40 H40 0.9500 . ?
C41 C45 1.404(13) . ?
C41 C42 1.413(12) . ?
C41 P1 1.793(10) . ?
C42 C48 1.376(13) . ?
C42 H42 0.9500 . ?
C43 C48 1.355(14) . ?
C43 C44 1.394(13) . ?
C43 H43 0.9500 . ?
C44 C45 1.403(13) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 F2 1.308(12) . ?
C46 F3 1.317(13) . ?
C46 F1 1.335(13) . ?
C46 S1 1.795(13) . ?
C47 F6 1.312(13) . ?
C47 F4 1.325(12) . ?
C47 F5 1.330(13) . ?
C47 S2 1.808(11) . ?
C48 H48 0.9500 . ?
Au1 N1 2.095(7) . ?
Au1 P1 2.240(2) . ?
Au2 N2 2.075(7) . ?
Au2 P2 2.238(2) . ?
O1 S1 1.428(7) . ?
O2 S1 1.433(7) . ?
O3 S1 1.440(7) . ?
O4 S2 1.431(7) . ?
O5 S2 1.431(7) . ?
O6 S2 1.436(7) . ?
