#------------------------------------------------------------------------------
#$Date: 2020-06-05 13:49:43 +0300 (Fri, 05 Jun 2020) $
#$Revision: 252794 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/41/7704115.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_7704115
loop_
_publ_author_name
'Ruiz, Javier'
'Sol, Daniel'
'Mateo, María A'
'Vivanco, Marilín'
'Badía-Laiño, Rosana'
_publ_section_title
;
 A new approach to the synthesis of trinuclear gold(i) imidazolate
 complexes and their silver(i)-induced photoluminescence behavior.
;
_journal_issue                   20
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6561
_journal_page_last               6565
_journal_paper_doi               10.1039/d0dt01246g
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C12 H15 Au3 N6'
_chemical_formula_sum            'C12 H15 Au3 N6'
_chemical_formula_weight         834.2
_chemical_name_common            DS-423
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2017-02-08T11:22:49-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2019-09-23 deposited with the CCDC.	2020-04-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 94.1130(10)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   19.8780(5)
_cell_length_b                   7.8195(2)
_cell_length_c                   20.0027(5)
_cell_measurement_reflns_used    9962
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.59
_cell_measurement_theta_min      2.79
_cell_measurement_wavelength     0.71073
_cell_volume                     3101.13(14)
_computing_cell_refinement       'SAINT V8.37A integration software'
_computing_data_collection       'Bruker APEX2 software'
_computing_data_reduction        'SORTAV (Blessing, 1995)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'SHELXT-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'APEX-II CCD'
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Bruker APEX-II'
_diffrn_measurement_method       'φ or ω oscillation scans'
_diffrn_orient_matrix_UB_11      -0.010155
_diffrn_orient_matrix_UB_12      -0.053251
_diffrn_orient_matrix_UB_13      0.043601
_diffrn_orient_matrix_UB_21      -0.00463
_diffrn_orient_matrix_UB_22      -0.11422
_diffrn_orient_matrix_UB_23      -0.022343
_diffrn_orient_matrix_UB_31      0.049186
_diffrn_orient_matrix_UB_32      -0.021746
_diffrn_orient_matrix_UB_33      0.010585
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.097
_diffrn_reflns_av_unetI/netI     0.0744
_diffrn_reflns_Laue_measured_fraction_full 1
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            77069
_diffrn_reflns_point_group_measured_fraction_full 1
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_reduction_process
;
        Scaled and merged with Sortav
        R.H. Blessing, (1987) Cryst. Rev. 1, 3-58
        R.H. Blessing, (1989) J. Appl. Cryst. 22, 396-397
;
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         32.639
_diffrn_reflns_theta_min         2.042
_diffrn_source                   'sealed x-ray tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    28.316
_exptl_absorpt_correction_T_max  0.32
_exptl_absorpt_correction_T_min  0.118
_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    3.573
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.112
_refine_diff_density_min         -2.229
_refine_diff_density_rms         0.423
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     385
_refine_ls_number_reflns         11278
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0357
_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)+(0.0062P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0595
_refine_ls_wR_factor_ref         0.067
_reflns_Friedel_coverage         0
_reflns_number_gt                8254
_reflns_number_total             11278
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt01246g2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7704114--7704117.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7704115
_shelx_estimated_absorpt_t_min   0.132
_shelx_estimated_absorpt_t_max   0.601
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.11188(2) 0.46982(3) 0.38418(2) 0.01299(5) Uani 1 1 d . . . . .
N1 N 0.0268(3) 0.6592(6) 0.2741(3) 0.0151(11) Uani 1 1 d . . . . .
C2 C 0.0864(3) 0.5899(8) 0.2985(3) 0.0110(12) Uani 1 1 d . . . . .
N3 N 0.1304(3) 0.6141(6) 0.2527(3) 0.0159(12) Uani 1 1 d . . . . .
C4 C 0.0984(3) 0.6980(8) 0.1985(3) 0.0169(14) Uani 1 1 d . . . . .
H4 H 0.1184 0.729968 0.158663 0.02 Uiso 1 1 calc R U . . .
C5 C 0.0343(4) 0.7264(8) 0.2119(3) 0.0179(14) Uani 1 1 d . . . . .
H5 H 0.000668 0.782249 0.183717 0.021 Uiso 1 1 calc R U . . .
C6 C -0.0345(3) 0.6723(9) 0.3097(3) 0.0215(15) Uani 1 1 d . . . . .
H6A H -0.047088 0.792855 0.313625 0.032 Uiso 1 1 calc R U . . .
H6B H -0.0265 0.622695 0.354585 0.032 Uiso 1 1 calc R U . . .
H6C H -0.071078 0.610079 0.284893 0.032 Uiso 1 1 calc R U . . .
Au11 Au 0.23047(2) 0.56188(3) 0.27269(2) 0.01349(5) Uani 1 1 d . . . . .
N11 N 0.3807(3) 0.5410(6) 0.2606(3) 0.0131(11) Uani 1 1 d . . . . .
C12 C 0.3262(3) 0.5062(8) 0.2960(3) 0.0162(13) Uani 1 1 d . . . . .
N13 N 0.3489(3) 0.4149(7) 0.3501(3) 0.0158(12) Uani 1 1 d . . . . .
C14 C 0.4172(3) 0.3955(9) 0.3497(3) 0.0181(14) Uani 1 1 d . . . . .
H14 H 0.445428 0.337737 0.382783 0.022 Uiso 1 1 calc R U . . .
C15 C 0.4379(3) 0.4728(8) 0.2940(3) 0.0174(14) Uani 1 1 d . . . . .
H15 H 0.482699 0.478879 0.280536 0.021 Uiso 1 1 calc R U . . .
C16 C 0.3787(4) 0.6385(9) 0.1990(3) 0.0209(15) Uani 1 1 d . . . . .
H16A H 0.385 0.561425 0.161302 0.031 Uiso 1 1 calc R U . . .
H16B H 0.414781 0.7242 0.201902 0.031 Uiso 1 1 calc R U . . .
H16C H 0.334949 0.696012 0.191964 0.031 Uiso 1 1 calc R U . . .
Au21 Au 0.28111(2) 0.34458(3) 0.41798(2) 0.01480(6) Uani 1 1 d . . . . .
N21 N 0.2139(3) 0.1961(6) 0.5362(3) 0.0150(12) Uani 1 1 d . . . . .
C22 C 0.2095(4) 0.2854(8) 0.4786(3) 0.0170(14) Uani 1 1 d . . . . .
N23 N 0.1450(3) 0.3401(7) 0.4685(3) 0.0140(11) Uani 1 1 d . . . . .
C24 C 0.1095(4) 0.2836(9) 0.5207(3) 0.0225(16) Uani 1 1 d . . . . .
H24 H 0.062969 0.3038 0.525832 0.027 Uiso 1 1 calc R U . . .
C25 C 0.1519(4) 0.1945(9) 0.5637(3) 0.0194(15) Uani 1 1 d . . . . .
H25 H 0.141353 0.141678 0.604376 0.023 Uiso 1 1 calc R U . . .
C26 C 0.2747(4) 0.1125(8) 0.5659(3) 0.0194(15) Uani 1 1 d . . . . .
H26A H 0.311284 0.125682 0.535915 0.029 Uiso 1 1 calc R U . . .
H26B H 0.265648 -0.009361 0.572258 0.029 Uiso 1 1 calc R U . . .
H26C H 0.287954 0.165216 0.609268 0.029 Uiso 1 1 calc R U . . .
Au31 Au 0.38513(2) 0.63509(3) 0.53140(2) 0.01331(5) Uani 1 1 d . . . . .
N31 N 0.4722(3) 0.8194(7) 0.4361(3) 0.0155(11) Uani 1 1 d . . . . .
C32 C 0.4109(3) 0.7689(8) 0.4535(3) 0.0131(13) Uani 1 1 d . . . . .
N33 N 0.3646(3) 0.8291(7) 0.4064(3) 0.0172(12) Uani 1 1 d . . . . .
C34 C 0.3988(4) 0.9149(8) 0.3590(3) 0.0204(15) Uani 1 1 d . . . . .
H34 H 0.378469 0.970215 0.320397 0.024 Uiso 1 1 calc R U . . .
C35 C 0.4650(4) 0.9079(8) 0.3761(3) 0.0189(15) Uani 1 1 d . . . . .
H35 H 0.500138 0.95449 0.35185 0.023 Uiso 1 1 calc R U . . .
C36 C 0.5347(4) 0.7912(9) 0.4755(3) 0.0231(16) Uani 1 1 d . . . . .
H36A H 0.571037 0.853369 0.455461 0.035 Uiso 1 1 calc R U . . .
H36B H 0.545052 0.668649 0.47648 0.035 Uiso 1 1 calc R U . . .
H36C H 0.530463 0.832326 0.521241 0.035 Uiso 1 1 calc R U . . .
Au41 Au 0.26444(2) 0.82229(3) 0.42375(2) 0.01427(6) Uani 1 1 d . . . . .
N41 N 0.1154(3) 0.9022(7) 0.4191(3) 0.0144(11) Uani 1 1 d . . . . .
C42 C 0.1702(3) 0.8294(8) 0.4515(3) 0.0125(12) Uani 1 1 d . . . . .
N43 N 0.1509(3) 0.7616(7) 0.5090(2) 0.0138(11) Uani 1 1 d . . . . .
C44 C 0.0823(3) 0.7912(8) 0.5117(3) 0.0145(13) Uani 1 1 d . . . . .
H44 H 0.05551 0.756286 0.546719 0.017 Uiso 1 1 calc R U . . .
C45 C 0.0601(4) 0.8786(8) 0.4558(3) 0.0169(14) Uani 1 1 d . . . . .
H45 H 0.015326 0.915952 0.444231 0.02 Uiso 1 1 calc R U . . .
C46 C 0.1160(4) 0.9904(9) 0.3549(3) 0.0199(15) Uani 1 1 d . . . . .
H46A H 0.138427 0.918501 0.323066 0.03 Uiso 1 1 calc R U . . .
H46B H 0.140418 1.098781 0.361027 0.03 Uiso 1 1 calc R U . . .
H46C H 0.069544 1.013144 0.337399 0.03 Uiso 1 1 calc R U . . .
Au51 Au 0.21902(2) 0.64035(3) 0.57337(2) 0.01205(5) Uani 1 1 d . . . . .
N51 N 0.2874(3) 0.4360(6) 0.6884(2) 0.0126(11) Uani 1 1 d . . . . .
C52 C 0.2904(3) 0.5196(7) 0.6294(3) 0.0120(12) Uani 1 1 d . . . . .
N53 N 0.3538(3) 0.5028(7) 0.6115(2) 0.0134(11) Uani 1 1 d . . . . .
C54 C 0.3895(4) 0.4057(8) 0.6593(3) 0.0150(13) Uani 1 1 d . . . . .
H54 H 0.435539 0.373801 0.658361 0.018 Uiso 1 1 calc R U . . .
C55 C 0.3491(3) 0.3636(8) 0.7071(3) 0.0143(13) Uani 1 1 d . . . . .
H55 H 0.36048 0.297173 0.746014 0.017 Uiso 1 1 calc R U . . .
C56 C 0.2286(4) 0.4238(9) 0.7278(4) 0.0229(16) Uani 1 1 d . . . . .
H56A H 0.189797 0.477717 0.703243 0.034 Uiso 1 1 calc R U . . .
H56B H 0.238047 0.48235 0.770794 0.034 Uiso 1 1 calc R U . . .
H56C H 0.218524 0.303217 0.735896 0.034 Uiso 1 1 calc R U . . .
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'
Au Au -2.0133 8.8022 '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'
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
C2 Au1 N23 175.2(2) . . ?
C2 N1 C5 109.2(5) . . ?
C2 N1 C6 126.1(6) . . ?
C5 N1 C6 124.5(6) . . ?
N3 C2 N1 107.2(5) . . ?
N3 C2 Au1 121.6(5) . . ?
N1 C2 Au1 131.2(5) . . ?
C2 N3 C4 108.7(6) . . ?
C2 N3 Au11 121.3(4) . . ?
C4 N3 Au11 129.5(5) . . ?
C5 C4 N3 108.3(6) . . ?
C5 C4 H4 125.9 . . ?
N3 C4 H4 125.9 . . ?
C4 C5 N1 106.6(6) . . ?
C4 C5 H5 126.7 . . ?
N1 C5 H5 126.7 . . ?
N1 C6 H6A 109.5 . . ?
N1 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
N1 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C12 Au11 N3 177.3(3) . . ?
C12 N11 C15 109.2(5) . . ?
C12 N11 C16 124.9(6) . . ?
C15 N11 C16 125.8(5) . . ?
N13 C12 N11 106.8(6) . . ?
N13 C12 Au11 124.7(5) . . ?
N11 C12 Au11 128.4(5) . . ?
C12 N13 C14 109.3(6) . . ?
C12 N13 Au21 118.3(5) . . ?
C14 N13 Au21 132.2(5) . . ?
C15 C14 N13 108.3(6) . . ?
C15 C14 H14 125.9 . . ?
N13 C14 H14 125.9 . . ?
C14 C15 N11 106.4(6) . . ?
C14 C15 H15 126.8 . . ?
N11 C15 H15 126.8 . . ?
N11 C16 H16A 109.5 . . ?
N11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 Au21 N13 175.2(3) . . ?
C22 N21 C25 109.9(6) . . ?
C22 N21 C26 125.5(6) . . ?
C25 N21 C26 124.7(5) . . ?
N21 C22 N23 107.2(6) . . ?
N21 C22 Au21 129.6(5) . . ?
N23 C22 Au21 123.2(5) . . ?
C22 N23 C24 108.5(6) . . ?
C22 N23 Au1 121.9(4) . . ?
C24 N23 Au1 129.5(5) . . ?
C25 C24 N23 108.4(7) . . ?
C25 C24 H24 125.8 . . ?
N23 C24 H24 125.8 . . ?
C24 C25 N21 106.0(6) . . ?
C24 C25 H25 127 . . ?
N21 C25 H25 127 . . ?
N21 C26 H26A 109.5 . . ?
N21 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
N21 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C32 Au31 N53 177.1(2) . . ?
C32 N31 C35 109.4(6) . . ?
C32 N31 C36 124.9(5) . . ?
C35 N31 C36 125.6(6) . . ?
N31 C32 N33 107.4(5) . . ?
N31 C32 Au31 130.5(5) . . ?
N33 C32 Au31 122.1(5) . . ?
C32 N33 C34 107.7(6) . . ?
C32 N33 Au41 119.6(4) . . ?
C34 N33 Au41 131.5(5) . . ?
C35 C34 N33 109.3(6) . . ?
C35 C34 H34 125.4 . . ?
N33 C34 H34 125.4 . . ?
C34 C35 N31 106.2(6) . . ?
C34 C35 H35 126.9 . . ?
N31 C35 H35 126.9 . . ?
N31 C36 H36A 109.5 . . ?
N31 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
N31 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C42 Au41 N33 172.9(2) . . ?
C42 N41 C45 109.5(5) . . ?
C42 N41 C46 124.4(6) . . ?
C45 N41 C46 126.1(6) . . ?
N43 C42 N41 107.9(5) . . ?
N43 C42 Au41 123.9(5) . . ?
N41 C42 Au41 128.2(5) . . ?
C42 N43 C44 107.9(5) . . ?
C42 N43 Au51 120.5(4) . . ?
C44 N43 Au51 131.6(4) . . ?
C45 C44 N43 108.3(6) . . ?
C45 C44 H44 125.8 . . ?
N43 C44 H44 125.8 . . ?
C44 C45 N41 106.4(6) . . ?
C44 C45 H45 126.8 . . ?
N41 C45 H45 126.8 . . ?
N41 C46 H46A 109.5 . . ?
N41 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
N41 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C52 Au51 N43 175.0(2) . . ?
C52 N51 C55 109.9(5) . . ?
C52 N51 C56 126.1(6) . . ?
C55 N51 C56 124.0(5) . . ?
N53 C52 N51 106.6(5) . . ?
N53 C52 Au51 123.0(4) . . ?
N51 C52 Au51 130.4(5) . . ?
C52 N53 C54 108.4(5) . . ?
C52 N53 Au31 120.3(4) . . ?
C54 N53 Au31 130.8(5) . . ?
C55 C54 N53 109.1(6) . . ?
C55 C54 H54 125.5 . . ?
N53 C54 H54 125.5 . . ?
C54 C55 N51 106.0(6) . . ?
C54 C55 H55 127 . . ?
N51 C55 H55 127 . . ?
N51 C56 H56A 109.5 . . ?
N51 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
N51 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
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 C2 1.987(6) . ?
Au1 N23 2.037(5) . ?
N1 C2 1.362(8) . ?
N1 C5 1.369(8) . ?
N1 C6 1.458(8) . ?
C2 N3 1.324(8) . ?
N3 C4 1.383(8) . ?
N3 Au11 2.041(6) . ?
C4 C5 1.338(9) . ?
C4 H4 0.95 . ?
C5 H5 0.95 . ?
C6 H6A 0.98 . ?
C6 H6B 0.98 . ?
C6 H6C 0.98 . ?
Au11 C12 1.975(7) . ?
N11 C12 1.364(8) . ?
N11 C15 1.382(8) . ?
N11 C16 1.448(8) . ?
C12 N13 1.346(8) . ?
N13 C14 1.367(9) . ?
N13 Au21 2.056(5) . ?
C14 C15 1.358(9) . ?
C14 H14 0.95 . ?
C15 H15 0.95 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
Au21 C22 1.990(7) . ?
N21 C22 1.345(8) . ?
N21 C25 1.384(9) . ?
N21 C26 1.462(9) . ?
C22 N23 1.353(9) . ?
N23 C24 1.376(8) . ?
C24 C25 1.353(10) . ?
C24 H24 0.95 . ?
C25 H25 0.95 . ?
C26 H26A 0.98 . ?
C26 H26B 0.98 . ?
C26 H26C 0.98 . ?
Au31 C32 1.974(6) . ?
Au31 N53 2.042(5) . ?
N31 C32 1.351(8) . ?
N31 C35 1.384(8) . ?
N31 C36 1.439(9) . ?
C32 N33 1.354(8) . ?
N33 C34 1.379(8) . ?
N33 Au41 2.046(6) . ?
C34 C35 1.338(10) . ?
C34 H34 0.95 . ?
C35 H35 0.95 . ?
C36 H36A 0.98 . ?
C36 H36B 0.98 . ?
C36 H36C 0.98 . ?
Au41 C42 1.993(6) . ?
N41 C42 1.352(8) . ?
N41 C45 1.377(8) . ?
N41 C46 1.459(8) . ?
C42 N43 1.347(8) . ?
N43 C44 1.388(8) . ?
N43 Au51 2.034(5) . ?
C44 C45 1.357(9) . ?
C44 H44 0.95 . ?
C45 H45 0.95 . ?
C46 H46A 0.98 . ?
C46 H46B 0.98 . ?
C46 H46C 0.98 . ?
Au51 C52 1.983(6) . ?
N51 C52 1.355(7) . ?
N51 C55 1.378(8) . ?
N51 C56 1.458(8) . ?
C52 N53 1.341(8) . ?
N53 C54 1.377(8) . ?
C54 C55 1.333(9) . ?
C54 H54 0.95 . ?
C55 H55 0.95 . ?
C56 H56A 0.98 . ?
C56 H56B 0.98 . ?
C56 H56C 0.98 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C5 N1 C2 N3 0.4(7) . . . . ?
C6 N1 C2 N3 -175.5(6) . . . . ?
C5 N1 C2 Au1 -179.2(5) . . . . ?
C6 N1 C2 Au1 4.9(9) . . . . ?
N1 C2 N3 C4 -0.6(7) . . . . ?
Au1 C2 N3 C4 179.1(4) . . . . ?
N1 C2 N3 Au11 171.1(4) . . . . ?
Au1 C2 N3 Au11 -9.2(7) . . . . ?
C2 N3 C4 C5 0.6(8) . . . . ?
Au11 N3 C4 C5 -170.2(4) . . . . ?
N3 C4 C5 N1 -0.3(7) . . . . ?
C2 N1 C5 C4 0.0(7) . . . . ?
C6 N1 C5 C4 175.9(6) . . . . ?
C15 N11 C12 N13 -1.1(7) . . . . ?
C16 N11 C12 N13 -179.4(6) . . . . ?
C15 N11 C12 Au11 -177.5(5) . . . . ?
C16 N11 C12 Au11 4.2(9) . . . . ?
N11 C12 N13 C14 1.4(7) . . . . ?
Au11 C12 N13 C14 177.9(5) . . . . ?
N11 C12 N13 Au21 177.9(4) . . . . ?
Au11 C12 N13 Au21 -5.5(7) . . . . ?
C12 N13 C14 C15 -1.2(8) . . . . ?
Au21 N13 C14 C15 -177.1(5) . . . . ?
N13 C14 C15 N11 0.5(7) . . . . ?
C12 N11 C15 C14 0.4(7) . . . . ?
C16 N11 C15 C14 178.7(6) . . . . ?
C25 N21 C22 N23 -0.5(7) . . . . ?
C26 N21 C22 N23 179.4(5) . . . . ?
C25 N21 C22 Au21 176.6(5) . . . . ?
C26 N21 C22 Au21 -3.5(9) . . . . ?
N21 C22 N23 C24 0.1(7) . . . . ?
Au21 C22 N23 C24 -177.2(4) . . . . ?
N21 C22 N23 Au1 -176.2(4) . . . . ?
Au21 C22 N23 Au1 6.4(7) . . . . ?
C22 N23 C24 C25 0.3(7) . . . . ?
Au1 N23 C24 C25 176.3(4) . . . . ?
N23 C24 C25 N21 -0.7(7) . . . . ?
C22 N21 C25 C24 0.7(7) . . . . ?
C26 N21 C25 C24 -179.2(6) . . . . ?
C35 N31 C32 N33 -1.9(7) . . . . ?
C36 N31 C32 N33 175.7(6) . . . . ?
C35 N31 C32 Au31 178.7(5) . . . . ?
C36 N31 C32 Au31 -3.8(9) . . . . ?
N31 C32 N33 C34 1.0(7) . . . . ?
Au31 C32 N33 C34 -179.5(4) . . . . ?
N31 C32 N33 Au41 -167.7(4) . . . . ?
Au31 C32 N33 Au41 11.8(7) . . . . ?
C32 N33 C34 C35 0.2(8) . . . . ?
Au41 N33 C34 C35 167.2(5) . . . . ?
N33 C34 C35 N31 -1.4(8) . . . . ?
C32 N31 C35 C34 2.0(7) . . . . ?
C36 N31 C35 C34 -175.5(6) . . . . ?
C45 N41 C42 N43 -0.9(7) . . . . ?
C46 N41 C42 N43 179.6(5) . . . . ?
C45 N41 C42 Au41 -179.7(5) . . . . ?
C46 N41 C42 Au41 0.8(9) . . . . ?
N41 C42 N43 C44 0.8(7) . . . . ?
Au41 C42 N43 C44 179.7(4) . . . . ?
N41 C42 N43 Au51 -179.6(4) . . . . ?
Au41 C42 N43 Au51 -0.7(7) . . . . ?
C42 N43 C44 C45 -0.5(7) . . . . ?
Au51 N43 C44 C45 -180.0(4) . . . . ?
N43 C44 C45 N41 -0.1(7) . . . . ?
C42 N41 C45 C44 0.6(7) . . . . ?
C46 N41 C45 C44 -179.9(6) . . . . ?
C55 N51 C52 N53 -1.1(7) . . . . ?
C56 N51 C52 N53 178.3(6) . . . . ?
C55 N51 C52 Au51 176.7(5) . . . . ?
C56 N51 C52 Au51 -3.9(9) . . . . ?
N51 C52 N53 C54 1.0(7) . . . . ?
Au51 C52 N53 C54 -177.0(4) . . . . ?
N51 C52 N53 Au31 -172.0(4) . . . . ?
Au51 C52 N53 Au31 10.0(7) . . . . ?
C52 N53 C54 C55 -0.6(7) . . . . ?
Au31 N53 C54 C55 171.4(4) . . . . ?
N53 C54 C55 N51 0.0(7) . . . . ?
C52 N51 C55 C54 0.7(7) . . . . ?
C56 N51 C55 C54 -178.7(6) . . . . ?
