#------------------------------------------------------------------------------
#$Date: 2021-10-29 05:27:08 +0300 (Fri, 29 Oct 2021) $
#$Revision: 270147 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/37/7243789.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_7243789
loop_
_publ_author_name
'Kariuki, Benson M.'
'Platts, James A.'
'Newman, Paul D.'
_publ_section_title
;
 A hybrid bipy--NHC ligand for the construction of group 11 mixed-metal
 bimetallic complexes
;
_journal_issue                   54
_journal_name_full               'RSC Advances'
_journal_page_first              34170
_journal_page_last               34173
_journal_paper_doi               10.1039/D1RA06581E
_journal_volume                  11
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_sum            'C40 H48 Ag Au B2 F8 N8'
_chemical_formula_weight         1119.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/1
_audit_update_record
;
2021-08-31 deposited with the CCDC.	2021-10-05 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 114.813(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.5502(6)
_cell_length_b                   26.5936(6)
_cell_length_c                   13.7021(5)
_cell_measurement_reflns_used    16064
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      29.4480
_cell_measurement_theta_min      3.9650
_cell_volume                     4151.0(3)
_computing_cell_refinement       'CrysAlisPro 1.171.40.50a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.50a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.50a (Rigaku OD, 2019)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0392
_diffrn_reflns_av_unetI/netI     0.0668
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.894
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            46252
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.837
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.784
_diffrn_reflns_theta_min         1.808
_exptl_absorpt_coefficient_mu    4.079
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.482
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.50a (Rigaku Oxford Diffraction, 2019)
Numerical absorption correction based on gaussian integration over
			a multifaceted crystal model
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.791
_exptl_crystal_description       plate
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          0.520
_exptl_crystal_size_mid          0.257
_exptl_crystal_size_min          0.053
_refine_diff_density_max         1.470
_refine_diff_density_min         -1.784
_refine_diff_density_rms         0.133
_refine_ls_abs_structure_details
;
 Flack x determined using 6781 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.006(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1235
_refine_ls_number_reflns         19872
_refine_ls_number_restraints     817
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0515
_refine_ls_R_factor_gt           0.0382
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0301P)²+1.9702P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0740
_refine_ls_wR_factor_ref         0.0807
_reflns_Friedel_coverage         0.836
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.778
_reflns_number_gt                17003
_reflns_number_total             19872
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1ra06581e2.cif
_cod_data_source_block           pdn1903b
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               7243789
_shelx_shelxl_version_number     2018/1
_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   0.226
_shelx_estimated_absorpt_t_max   0.813
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -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 -0.1797(10) 0.7382(4) 0.5072(9) 0.039(3) Uani 1 1 d . . . . .
H1 H -0.179519 0.768807 0.471342 0.047 Uiso 1 1 calc R U . . .
C2 C -0.0784(10) 0.7242(5) 0.5942(9) 0.046(3) Uani 1 1 d . . . . .
H2 H -0.010009 0.744622 0.617311 0.055 Uiso 1 1 calc R U . . .
C3 C -0.0783(11) 0.6805(5) 0.6466(10) 0.045(3) Uani 1 1 d . . . . .
H3 H -0.010007 0.670348 0.707460 0.054 Uiso 1 1 calc R U . . .
C4 C -0.1781(10) 0.6511(4) 0.6106(8) 0.037(3) Uani 1 1 d . . . . .
H4 H -0.180110 0.621126 0.647431 0.044 Uiso 1 1 calc R U . . .
C5 C -0.2770(9) 0.6663(4) 0.5182(7) 0.025(2) Uani 1 1 d . . . . .
C6 C -0.3839(9) 0.6344(4) 0.4705(7) 0.024(2) Uani 1 1 d . . . . .
C7 C -0.3760(10) 0.5824(4) 0.4916(9) 0.035(3) Uani 1 1 d . . . . .
H7 H -0.303547 0.567535 0.538002 0.042 Uiso 1 1 calc R U . . .
C8 C -0.4742(10) 0.5540(4) 0.4443(9) 0.038(3) Uani 1 1 d . . . . .
H8 H -0.470939 0.518865 0.457243 0.045 Uiso 1 1 calc R U . . .
C9 C -0.5788(10) 0.5761(4) 0.3774(8) 0.035(2) Uani 1 1 d . . . . .
H9 H -0.648756 0.556894 0.345094 0.042 Uiso 1 1 calc R U . . .
C10 C -0.5786(9) 0.6277(3) 0.3587(7) 0.024(2) Uani 1 1 d . . . . .
C11 C -0.7201(8) 0.6954(3) 0.3120(6) 0.0186(18) Uani 1 1 d . . . . .
C12 C -0.7579(8) 0.6244(3) 0.1846(7) 0.0268(19) Uani 1 1 d . . . . .
H12 H -0.713859 0.596312 0.169604 0.032 Uiso 1 1 calc R U . . .
C13 C -0.8735(9) 0.6056(4) 0.1857(8) 0.037(2) Uani 1 1 d . . . . .
H13A H -0.861964 0.596423 0.259529 0.044 Uiso 1 1 calc R U . . .
H13B H -0.903755 0.575957 0.138418 0.044 Uiso 1 1 calc R U . . .
C14 C -0.9586(8) 0.6505(3) 0.1435(8) 0.038(2) Uani 1 1 d . . . . .
H14A H -1.026154 0.641811 0.075305 0.046 Uiso 1 1 calc R U . . .
H14B H -0.988293 0.661019 0.196846 0.046 Uiso 1 1 calc R U . . .
C15 C -0.8838(9) 0.6924(4) 0.1256(7) 0.027(2) Uani 1 1 d . . . . .
C16 C -0.7957(8) 0.6640(3) 0.0959(6) 0.0284(18) Uani 1 1 d . . . . .
C17 C -0.8571(9) 0.6374(4) -0.0143(7) 0.043(2) Uani 1 1 d . . . . .
H17A H -0.921454 0.616453 -0.014371 0.065 Uiso 1 1 calc R U . . .
H17B H -0.800238 0.616117 -0.026811 0.065 Uiso 1 1 calc R U . . .
H17C H -0.888447 0.662630 -0.071370 0.065 Uiso 1 1 calc R U . . .
C18 C -0.6962(9) 0.6956(4) 0.0941(8) 0.039(2) Uani 1 1 d . . . . .
H18A H -0.727528 0.720100 0.035445 0.059 Uiso 1 1 calc R U . . .
H18B H -0.639429 0.673748 0.082842 0.059 Uiso 1 1 calc R U . . .
H18C H -0.657324 0.713294 0.162730 0.059 Uiso 1 1 calc R U . . .
C19 C -0.9542(10) 0.7320(4) 0.0457(8) 0.049(3) Uani 1 1 d . . . . .
H19A H -1.017503 0.743986 0.063831 0.073 Uiso 1 1 calc R U . . .
H19B H -0.987854 0.717538 -0.026746 0.073 Uiso 1 1 calc R U . . .
H19C H -0.902894 0.760235 0.048155 0.073 Uiso 1 1 calc R U . . .
C20 C -0.8630(11) 0.7607(4) 0.2630(9) 0.046(3) Uani 1 1 d . . . . .
H20A H -0.823626 0.766401 0.340751 0.069 Uiso 1 1 calc R U . . .
H20B H -0.947328 0.756073 0.241603 0.069 Uiso 1 1 calc R U . . .
H20C H -0.850503 0.789781 0.225145 0.069 Uiso 1 1 calc R U . . .
C21 C -0.5098(10) 0.7966(4) 0.1529(8) 0.037(2) Uani 1 1 d . . . . .
H21 H -0.480384 0.764759 0.144640 0.045 Uiso 1 1 calc R U . . .
C22 C -0.5358(10) 0.8306(4) 0.0711(9) 0.049(3) Uani 1 1 d . . . . .
H22 H -0.524474 0.822841 0.008404 0.059 Uiso 1 1 calc R U . . .
C23 C -0.5788(12) 0.8760(4) 0.0835(9) 0.058(3) Uani 1 1 d . . . . .
H23 H -0.600323 0.900301 0.027782 0.069 Uiso 1 1 calc R U . . .
C24 C -0.5913(11) 0.8867(4) 0.1759(8) 0.047(3) Uani 1 1 d . . . . .
H24 H -0.616684 0.919151 0.186172 0.057 Uiso 1 1 calc R U . . .
C25 C -0.5666(9) 0.8500(4) 0.2546(8) 0.031(2) Uani 1 1 d . . . . .
C26 C -0.5821(9) 0.8599(4) 0.3541(8) 0.029(2) Uani 1 1 d . . . . .
C27 C -0.6456(9) 0.9020(4) 0.3617(8) 0.033(2) Uani 1 1 d . . . . .
H27 H -0.682435 0.923408 0.301278 0.040 Uiso 1 1 calc R U . . .
C28 C -0.6547(10) 0.9122(4) 0.4544(9) 0.038(3) Uani 1 1 d . . . . .
H28 H -0.697718 0.940666 0.459568 0.045 Uiso 1 1 calc R U . . .
C29 C -0.6005(10) 0.8806(4) 0.5422(8) 0.033(2) Uani 1 1 d . . . . .
H29 H -0.603160 0.887653 0.609107 0.040 Uiso 1 1 calc R U . . .
C30 C -0.5415(9) 0.8379(3) 0.5290(7) 0.025(2) Uani 1 1 d . . . . .
C31 C -0.5091(9) 0.7548(4) 0.6036(7) 0.026(2) Uani 1 1 d . . . . .
C32 C -0.4179(8) 0.8261(3) 0.7246(7) 0.0261(19) Uani 1 1 d . . . . .
H32 H -0.398123 0.862156 0.719467 0.031 Uiso 1 1 calc R U . . .
C33 C -0.4789(10) 0.8196(4) 0.7992(8) 0.042(2) Uani 1 1 d . . . . .
H33A H -0.565208 0.821344 0.758330 0.050 Uiso 1 1 calc R U . . .
H33B H -0.453764 0.846013 0.855263 0.050 Uiso 1 1 calc R U . . .
C34 C -0.4412(9) 0.7669(4) 0.8506(7) 0.042(2) Uani 1 1 d . . . . .
H34A H -0.396187 0.769458 0.929484 0.050 Uiso 1 1 calc R U . . .
H34B H -0.510393 0.745045 0.834822 0.050 Uiso 1 1 calc R U . . .
C35 C -0.3641(9) 0.7463(4) 0.7975(7) 0.030(2) Uani 1 1 d . . . . .
C36 C -0.3073(7) 0.7936(3) 0.7742(7) 0.0287(18) Uani 1 1 d . . . . .
C37 C -0.2201(8) 0.8177(3) 0.8795(7) 0.038(2) Uani 1 1 d . . . . .
H37A H -0.150180 0.796385 0.911838 0.057 Uiso 1 1 calc R U . . .
H37B H -0.257141 0.820983 0.929495 0.057 Uiso 1 1 calc R U . . .
H37C H -0.197287 0.851023 0.864379 0.057 Uiso 1 1 calc R U . . .
C38 C -0.2440(8) 0.7856(4) 0.7026(8) 0.036(2) Uani 1 1 d . . . . .
H38A H -0.298710 0.771520 0.633590 0.054 Uiso 1 1 calc R U . . .
H38B H -0.178579 0.762173 0.737534 0.054 Uiso 1 1 calc R U . . .
H38C H -0.213709 0.817795 0.690360 0.054 Uiso 1 1 calc R U . . .
C39 C -0.2799(10) 0.7060(4) 0.8615(8) 0.047(3) Uani 1 1 d . . . . .
H39A H -0.222780 0.720184 0.929268 0.070 Uiso 1 1 calc R U . . .
H39B H -0.238586 0.692693 0.820133 0.070 Uiso 1 1 calc R U . . .
H39C H -0.323347 0.678782 0.876695 0.070 Uiso 1 1 calc R U . . .
C40 C -0.4774(10) 0.6720(4) 0.6841(8) 0.035(3) Uani 1 1 d . . . . .
H40A H -0.541629 0.663967 0.614502 0.052 Uiso 1 1 calc R U . . .
H40B H -0.501261 0.664016 0.741887 0.052 Uiso 1 1 calc R U . . .
H40C H -0.407981 0.652101 0.693527 0.052 Uiso 1 1 calc R U . . .
C41 C 0.3243(10) 0.4823(4) 0.5243(10) 0.044(3) Uani 1 1 d . . . . .
H41 H 0.326380 0.450238 0.494674 0.052 Uiso 1 1 calc R U . . .
C42 C 0.4215(10) 0.4992(5) 0.6128(10) 0.050(3) Uani 1 1 d . . . . .
H42 H 0.490227 0.478983 0.641989 0.060 Uiso 1 1 calc R U . . .
C43 C 0.4192(10) 0.5449(5) 0.6587(10) 0.046(3) Uani 1 1 d . . . . .
H43 H 0.484189 0.556064 0.721356 0.055 Uiso 1 1 calc R U . . .
C44 C 0.3217(10) 0.5736(4) 0.6122(9) 0.039(3) Uani 1 1 d . . . . .
H44 H 0.317593 0.605561 0.641525 0.047 Uiso 1 1 calc R U . . .
C45 C 0.2280(9) 0.5561(4) 0.5215(9) 0.033(2) Uani 1 1 d . . . . .
C46 C 0.1221(9) 0.5888(4) 0.4639(7) 0.026(2) Uani 1 1 d . . . . .
C47 C 0.1267(10) 0.6400(4) 0.4827(8) 0.032(2) Uani 1 1 d . . . . .
H47 H 0.197302 0.655222 0.532025 0.038 Uiso 1 1 calc R U . . .
C48 C 0.0275(10) 0.6690(4) 0.4289(8) 0.035(3) Uani 1 1 d . . . . .
H48 H 0.030618 0.704464 0.437806 0.042 Uiso 1 1 calc R U . . .
C49 C -0.0765(10) 0.6457(4) 0.3618(8) 0.031(2) Uani 1 1 d . . . . .
H49 H -0.147545 0.664149 0.328566 0.037 Uiso 1 1 calc R U . . .
C50 C -0.0730(9) 0.5942(3) 0.3449(7) 0.024(2) Uani 1 1 d . . . . .
C51 C -0.2144(9) 0.5266(3) 0.3004(7) 0.024(2) Uani 1 1 d . . . . .
C52 C -0.2365(8) 0.5901(3) 0.1616(7) 0.029(2) Uani 1 1 d . . . . .
H52 H -0.213446 0.625944 0.159094 0.034 Uiso 1 1 calc R U . . .
C53 C -0.2057(9) 0.5570(3) 0.0855(7) 0.037(2) Uani 1 1 d . . . . .
H53A H -0.125017 0.543408 0.122357 0.044 Uiso 1 1 calc R U . . .
H53B H -0.212043 0.576138 0.021349 0.044 Uiso 1 1 calc R U . . .
C54 C -0.2983(8) 0.5138(3) 0.0537(7) 0.037(2) Uani 1 1 d . . . . .
H54A H -0.346309 0.513336 -0.024977 0.044 Uiso 1 1 calc R U . . .
H54B H -0.259623 0.480752 0.076405 0.044 Uiso 1 1 calc R U . . .
C55 C -0.3739(9) 0.5263(4) 0.1137(8) 0.031(2) Uani 1 1 d . . . . .
C56 C -0.3674(8) 0.5849(3) 0.1249(7) 0.0298(19) Uani 1 1 d . . . . .
C57 C -0.4146(9) 0.6056(4) 0.2020(8) 0.039(2) Uani 1 1 d . . . . .
H57A H -0.366536 0.593214 0.274659 0.058 Uiso 1 1 calc R U . . .
H57B H -0.495939 0.594556 0.179530 0.058 Uiso 1 1 calc R U . . .
H57C H -0.411732 0.642429 0.201558 0.058 Uiso 1 1 calc R U . . .
C58 C -0.4319(9) 0.6110(4) 0.0140(8) 0.048(3) Uani 1 1 d . . . . .
H58A H -0.516915 0.608853 -0.008499 0.072 Uiso 1 1 calc R U . . .
H58B H -0.411128 0.594238 -0.039262 0.072 Uiso 1 1 calc R U . . .
H58C H -0.408351 0.646425 0.019916 0.072 Uiso 1 1 calc R U . . .
C59 C -0.5002(9) 0.5058(4) 0.0587(8) 0.049(3) Uani 1 1 d . . . . .
H59A H -0.497894 0.469281 0.050875 0.074 Uiso 1 1 calc R U . . .
H59B H -0.540369 0.521276 -0.012467 0.074 Uiso 1 1 calc R U . . .
H59C H -0.542548 0.513950 0.102607 0.074 Uiso 1 1 calc R U . . .
C60 C -0.3505(11) 0.4566(4) 0.2481(9) 0.043(3) Uani 1 1 d . . . . .
H60A H -0.302206 0.446775 0.322701 0.064 Uiso 1 1 calc R U . . .
H60B H -0.343088 0.431308 0.199354 0.064 Uiso 1 1 calc R U . . .
H60C H -0.432800 0.459118 0.236738 0.064 Uiso 1 1 calc R U . . .
C61 C -0.0242(11) 0.4395(4) 0.1338(8) 0.044(3) Uani 1 1 d . . . . .
H61 H 0.012527 0.470584 0.132478 0.053 Uiso 1 1 calc R U . . .
C62 C -0.0687(11) 0.4105(4) 0.0419(8) 0.051(3) Uani 1 1 d . . . . .
H62 H -0.066296 0.421951 -0.022866 0.061 Uiso 1 1 calc R U . . .
C63 C -0.1159(13) 0.3653(4) 0.0465(9) 0.061(4) Uani 1 1 d . . . . .
H63 H -0.145851 0.344476 -0.015479 0.073 Uiso 1 1 calc R U . . .
C64 C -0.1213(11) 0.3490(4) 0.1400(8) 0.048(3) Uani 1 1 d . . . . .
H64 H -0.153834 0.317194 0.143627 0.058 Uiso 1 1 calc R U . . .
C65 C -0.0771(10) 0.3812(4) 0.2297(8) 0.032(2) Uani 1 1 d . . . . .
C66 C -0.0868(9) 0.3666(3) 0.3303(7) 0.024(2) Uani 1 1 d . . . . .
C67 C -0.1545(10) 0.3264(4) 0.3348(8) 0.033(2) Uani 1 1 d . . . . .
H67 H -0.197641 0.307003 0.272309 0.040 Uiso 1 1 calc R U . . .
C68 C -0.1583(11) 0.3150(4) 0.4307(9) 0.041(3) Uani 1 1 d . . . . .
H68 H -0.201568 0.286646 0.436090 0.049 Uiso 1 1 calc R U . . .
C69 C -0.0988(10) 0.3449(4) 0.5197(8) 0.031(2) Uani 1 1 d . . . . .
H69 H -0.100750 0.337660 0.586832 0.038 Uiso 1 1 calc R U . . .
C70 C -0.0367(9) 0.3852(3) 0.5083(7) 0.024(2) Uani 1 1 d . . . . .
C71 C -0.0047(8) 0.4673(3) 0.5919(6) 0.0181(18) Uani 1 1 d . . . . .
C72 C 0.1079(9) 0.3943(3) 0.6999(7) 0.029(2) Uani 1 1 d . . . . .
H72 H 0.097653 0.356964 0.699936 0.035 Uiso 1 1 calc R U . . .
C73 C 0.2298(9) 0.4081(4) 0.7139(8) 0.043(2) Uani 1 1 d . . . . .
H73A H 0.234110 0.410328 0.643549 0.052 Uiso 1 1 calc R U . . .
H73B H 0.288034 0.383186 0.759409 0.052 Uiso 1 1 calc R U . . .
C74 C 0.2518(9) 0.4607(4) 0.7703(8) 0.045(2) Uani 1 1 d . . . . .
H74A H 0.319821 0.459415 0.841298 0.054 Uiso 1 1 calc R U . . .
H74B H 0.266715 0.486550 0.725523 0.054 Uiso 1 1 calc R U . . .
C75 C 0.1389(9) 0.4722(4) 0.7827(7) 0.031(2) Uani 1 1 d . . . . .
C76 C 0.0895(9) 0.4192(3) 0.7923(7) 0.037(2) Uani 1 1 d . . . . .
C77 C -0.0355(10) 0.4193(4) 0.7805(8) 0.041(2) Uani 1 1 d . . . . .
H77A H -0.053501 0.386625 0.803138 0.061 Uiso 1 1 calc R U . . .
H77B H -0.088853 0.425387 0.705184 0.061 Uiso 1 1 calc R U . . .
H77C H -0.045258 0.445870 0.825608 0.061 Uiso 1 1 calc R U . . .
C78 C 0.1669(11) 0.3932(4) 0.8972(8) 0.053(3) Uani 1 1 d . . . . .
H78A H 0.160635 0.410771 0.957471 0.080 Uiso 1 1 calc R U . . .
H78B H 0.248711 0.393805 0.906503 0.080 Uiso 1 1 calc R U . . .
H78C H 0.141298 0.358256 0.895321 0.080 Uiso 1 1 calc R U . . .
C79 C 0.1585(10) 0.5067(4) 0.8785(7) 0.048(3) Uani 1 1 d . . . . .
H79A H 0.190676 0.538881 0.868766 0.072 Uiso 1 1 calc R U . . .
H79B H 0.213763 0.490700 0.944932 0.072 Uiso 1 1 calc R U . . .
H79C H 0.083519 0.512397 0.882917 0.072 Uiso 1 1 calc R U . . .
C80 C 0.0317(11) 0.5492(4) 0.6745(8) 0.036(3) Uani 1 1 d . . . . .
H80A H -0.020428 0.558984 0.600826 0.054 Uiso 1 1 calc R U . . .
H80B H 0.106818 0.566885 0.696796 0.054 Uiso 1 1 calc R U . . .
H80C H -0.004696 0.558166 0.722922 0.054 Uiso 1 1 calc R U . . .
N1 N -0.2781(8) 0.7108(3) 0.4708(6) 0.030(2) Uani 1 1 d . . . . .
N2 N -0.4835(7) 0.6559(3) 0.4018(6) 0.0211(17) Uani 1 1 d . . . . .
N3 N -0.6852(7) 0.6501(3) 0.2866(6) 0.0233(17) Uani 1 1 d . . . . .
N4 N -0.8148(7) 0.7158(3) 0.2355(6) 0.028(2) Uani 1 1 d . . . . .
N5 N -0.5226(8) 0.8050(3) 0.2439(6) 0.0293(19) Uani 1 1 d . . . . .
N6 N -0.5304(7) 0.8285(3) 0.4386(6) 0.0226(16) Uani 1 1 d . . . . .
N7 N -0.4912(7) 0.8043(3) 0.6156(6) 0.0234(17) Uani 1 1 d . . . . .
N8 N -0.4493(7) 0.7256(3) 0.6878(5) 0.0253(17) Uani 1 1 d . . . . .
N9 N 0.2273(8) 0.5107(3) 0.4796(7) 0.033(2) Uani 1 1 d . . . . .
N10 N 0.0241(7) 0.5665(3) 0.3936(6) 0.0237(17) Uani 1 1 d . . . . .
N11 N -0.1760(7) 0.5689(3) 0.2722(6) 0.0250(17) Uani 1 1 d . . . . .
N12 N -0.3107(7) 0.5054(3) 0.2265(6) 0.0263(19) Uani 1 1 d . . . . .
N13 N -0.0309(8) 0.4255(3) 0.2237(6) 0.0308(19) Uani 1 1 d . . . . .
N14 N -0.0278(7) 0.3963(3) 0.4169(6) 0.0241(17) Uani 1 1 d . . . . .
N15 N 0.0230(7) 0.4172(3) 0.5984(5) 0.0241(17) Uani 1 1 d . . . . .
N16 N 0.0522(7) 0.4940(3) 0.6790(5) 0.0230(16) Uani 1 1 d . . . . .
B1 B 0.7757(12) 0.5337(5) 0.8042(11) 0.044(3) Uani 0.689(16) 1 d D U P A 1
F1 F 0.7278(14) 0.5789(4) 0.8012(13) 0.086(5) Uani 0.689(16) 1 d D U P A 1
F2 F 0.7063(13) 0.4960(5) 0.8149(10) 0.070(4) Uani 0.689(16) 1 d D U P A 1
F3 F 0.7934(13) 0.5242(6) 0.7112(9) 0.066(4) Uani 0.689(16) 1 d D U P A 1
F4 F 0.8842(9) 0.5320(6) 0.8898(9) 0.073(4) Uani 0.689(16) 1 d D U P A 1
B1B B 0.7739(19) 0.5325(8) 0.8028(17) 0.054(5) Uani 0.311(16) 1 d D U P A 2
F1B F 0.691(2) 0.5629(9) 0.807(2) 0.061(6) Uani 0.311(16) 1 d D U P A 2
F2B F 0.785(3) 0.4883(7) 0.8583(19) 0.059(5) Uani 0.311(16) 1 d D U P A 2
F3B F 0.749(3) 0.5188(13) 0.6960(16) 0.069(8) Uani 0.311(16) 1 d D U P A 2
F4B F 0.879(2) 0.5582(10) 0.843(3) 0.084(6) Uani 0.311(16) 1 d D U P A 2
B2 B 0.2965(16) 0.4583(7) 0.2408(15) 0.068(5) Uani 0.53(2) 1 d D U P B 1
F5 F 0.4103(15) 0.4673(10) 0.3017(19) 0.096(7) Uani 0.53(2) 1 d D U P B 1
F6 F 0.2262(15) 0.4991(6) 0.2294(18) 0.082(6) Uani 0.53(2) 1 d D U P B 1
F7 F 0.2541(17) 0.4212(5) 0.2889(17) 0.074(4) Uani 0.53(2) 1 d D U P B 1
F8 F 0.285(2) 0.4393(7) 0.1437(13) 0.084(5) Uani 0.53(2) 1 d D U P B 1
B2B B 0.3107(17) 0.4578(7) 0.2214(16) 0.069(5) Uani 0.47(2) 1 d D U P B 2
F5B F 0.4046(18) 0.4598(10) 0.3164(16) 0.073(6) Uani 0.47(2) 1 d D U P B 2
F6B F 0.266(2) 0.5033(5) 0.1774(17) 0.093(6) Uani 0.47(2) 1 d D U P B 2
F7B F 0.2237(17) 0.4293(8) 0.236(2) 0.100(6) Uani 0.47(2) 1 d D U P B 2
F8B F 0.3399(19) 0.4314(6) 0.1497(14) 0.059(5) Uani 0.47(2) 1 d D U P B 2
B3 B 0.2141(11) 0.2529(4) 0.8017(10) 0.041(3) Uani 1 1 d . U . . .
F9 F 0.2786(6) 0.2912(2) 0.8670(6) 0.0649(19) Uani 1 1 d . U . . .
F10 F 0.1261(8) 0.2685(3) 0.7094(6) 0.072(2) Uani 1 1 d . U . . .
F11 F 0.1665(7) 0.2227(3) 0.8561(7) 0.096(3) Uani 1 1 d . U . . .
F12 F 0.2905(7) 0.2210(3) 0.7816(7) 0.077(2) Uani 1 1 d . U . . .
B4 B 0.7332(18) 0.1935(7) 0.2211(15) 0.040(4) Uani 0.49(5) 1 d D U P C 1
F13 F 0.6335(15) 0.1751(10) 0.145(2) 0.062(5) Uani 0.49(5) 1 d D U P C 1
F14 F 0.715(3) 0.2167(10) 0.3028(18) 0.044(5) Uani 0.49(5) 1 d D U P C 1
F15 F 0.814(2) 0.1540(10) 0.266(2) 0.056(5) Uani 0.49(5) 1 d D U P C 1
F16 F 0.781(3) 0.2276(8) 0.175(2) 0.060(5) Uani 0.49(5) 1 d D U P C 1
B4B B 0.7435(16) 0.1941(7) 0.2157(14) 0.037(4) Uani 0.51(5) 1 d D U P C 2
F13B F 0.6406(15) 0.1955(13) 0.1284(15) 0.066(5) Uani 0.51(5) 1 d D U P C 2
F14B F 0.735(3) 0.2101(10) 0.3078(16) 0.045(5) Uani 0.51(5) 1 d D U P C 2
F15B F 0.789(2) 0.1449(6) 0.235(2) 0.054(5) Uani 0.51(5) 1 d D U P C 2
F16B F 0.8243(19) 0.2237(7) 0.1987(18) 0.039(4) Uani 0.51(5) 1 d D U P C 2
Ag1 Ag -0.45368(8) 0.74720(3) 0.37266(7) 0.03413(19) Uani 1 1 d . . . . .
Ag2 Ag 0.05663(8) 0.47495(3) 0.36813(7) 0.0361(2) Uani 1 1 d . . . . .
Au1 Au -0.62088(3) 0.72606(2) 0.45803(2) 0.02356(9) Uani 1 1 d . . . . .
Au2 Au -0.11839(3) 0.49679(2) 0.44870(2) 0.02391(9) 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'
B B 0.0013 0.0007 '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'
Ag Ag -0.8971 1.1015 '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
N1 C1 C2 123.1(11) . . ?
N1 C1 H1 118.5 . . ?
C2 C1 H1 118.5 . . ?
C3 C2 C1 118.7(12) . . ?
C3 C2 H2 120.6 . . ?
C1 C2 H2 120.6 . . ?
C2 C3 C4 119.6(12) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.2 . . ?
C3 C4 C5 119.0(11) . . ?
C3 C4 H4 120.5 . . ?
C5 C4 H4 120.5 . . ?
N1 C5 C4 120.8(10) . . ?
N1 C5 C6 117.7(9) . . ?
C4 C5 C6 121.5(9) . . ?
N2 C6 C7 121.9(10) . . ?
N2 C6 C5 118.0(8) . . ?
C7 C6 C5 119.9(9) . . ?
C8 C7 C6 118.5(10) . . ?
C8 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
C7 C8 C9 120.1(10) . . ?
C7 C8 H8 119.9 . . ?
C9 C8 H8 119.9 . . ?
C8 C9 C10 117.8(11) . . ?
C8 C9 H9 121.1 . . ?
C10 C9 H9 121.1 . . ?
N2 C10 C9 123.1(10) . . ?
N2 C10 N3 119.0(8) . . ?
C9 C10 N3 117.8(9) . . ?
N4 C11 N3 115.6(8) . . ?
N4 C11 Au1 126.2(7) . . ?
N3 C11 Au1 118.2(6) . . ?
N3 C12 C16 107.2(7) . . ?
N3 C12 C13 110.6(7) . . ?
C16 C12 C13 104.6(7) . . ?
N3 C12 H12 111.4 . . ?
C16 C12 H12 111.4 . . ?
C13 C12 H12 111.4 . . ?
C12 C13 C14 104.6(7) . . ?
C12 C13 H13A 110.8 . . ?
C14 C13 H13A 110.8 . . ?
C12 C13 H13B 110.8 . . ?
C14 C13 H13B 110.8 . . ?
H13A C13 H13B 108.9 . . ?
C15 C14 C13 104.3(7) . . ?
C15 C14 H14A 110.9 . . ?
C13 C14 H14A 110.9 . . ?
C15 C14 H14B 110.9 . . ?
C13 C14 H14B 110.9 . . ?
H14A C14 H14B 108.9 . . ?
C19 C15 N4 110.5(8) . . ?
C19 C15 C16 114.9(8) . . ?
N4 C15 C16 106.9(7) . . ?
C19 C15 C14 114.2(9) . . ?
N4 C15 C14 105.7(7) . . ?
C16 C15 C14 103.9(7) . . ?
C18 C16 C12 114.4(8) . . ?
C18 C16 C15 115.0(7) . . ?
C12 C16 C15 98.5(7) . . ?
C18 C16 C17 108.3(7) . . ?
C12 C16 C17 108.8(7) . . ?
C15 C16 C17 111.5(8) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C15 C19 H19A 109.5 . . ?
C15 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C15 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N4 C20 H20A 109.5 . . ?
N4 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
N4 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N5 C21 C22 124.8(10) . . ?
N5 C21 H21 117.6 . . ?
C22 C21 H21 117.6 . . ?
C23 C22 C21 116.9(10) . . ?
C23 C22 H22 121.5 . . ?
C21 C22 H22 121.5 . . ?
C22 C23 C24 120.4(9) . . ?
C22 C23 H23 119.8 . . ?
C24 C23 H23 119.8 . . ?
C23 C24 C25 119.7(10) . . ?
C23 C24 H24 120.2 . . ?
C25 C24 H24 120.2 . . ?
N5 C25 C24 120.4(9) . . ?
N5 C25 C26 118.4(8) . . ?
C24 C25 C26 121.1(9) . . ?
N6 C26 C27 120.8(9) . . ?
N6 C26 C25 118.5(9) . . ?
C27 C26 C25 120.6(9) . . ?
C28 C27 C26 120.3(10) . . ?
C28 C27 H27 119.8 . . ?
C26 C27 H27 119.8 . . ?
C27 C28 C29 119.3(9) . . ?
C27 C28 H28 120.3 . . ?
C29 C28 H28 120.3 . . ?
C28 C29 C30 118.0(9) . . ?
C28 C29 H29 121.0 . . ?
C30 C29 H29 121.0 . . ?
N6 C30 N7 119.0(8) . . ?
N6 C30 C29 122.5(8) . . ?
N7 C30 C29 118.5(8) . . ?
N8 C31 N7 117.7(8) . . ?
N8 C31 Au1 122.3(7) . . ?
N7 C31 Au1 120.0(7) . . ?
N7 C32 C33 110.7(7) . . ?
N7 C32 C36 106.7(7) . . ?
C33 C32 C36 104.8(8) . . ?
N7 C32 H32 111.5 . . ?
C33 C32 H32 111.5 . . ?
C36 C32 H32 111.5 . . ?
C32 C33 C34 105.3(8) . . ?
C32 C33 H33A 110.7 . . ?
C34 C33 H33A 110.7 . . ?
C32 C33 H33B 110.7 . . ?
C34 C33 H33B 110.7 . . ?
H33A C33 H33B 108.8 . . ?
C35 C34 C33 103.9(7) . . ?
C35 C34 H34A 111.0 . . ?
C33 C34 H34A 111.0 . . ?
C35 C34 H34B 111.0 . . ?
C33 C34 H34B 111.0 . . ?
H34A C34 H34B 109.0 . . ?
C39 C35 C34 114.0(8) . . ?
C39 C35 N8 110.2(8) . . ?
C34 C35 N8 105.8(8) . . ?
C39 C35 C36 115.5(8) . . ?
C34 C35 C36 104.2(8) . . ?
N8 C35 C36 106.4(7) . . ?
C38 C36 C32 114.7(7) . . ?
C38 C36 C37 107.9(7) . . ?
C32 C36 C37 109.8(7) . . ?
C38 C36 C35 115.6(7) . . ?
C32 C36 C35 98.1(7) . . ?
C37 C36 C35 110.7(7) . . ?
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 . . ?
C35 C39 H39A 109.5 . . ?
C35 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C35 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
N8 C40 H40A 109.5 . . ?
N8 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
N8 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
N9 C41 C42 121.0(11) . . ?
N9 C41 H41 119.5 . . ?
C42 C41 H41 119.5 . . ?
C43 C42 C41 120.4(11) . . ?
C43 C42 H42 119.8 . . ?
C41 C42 H42 119.8 . . ?
C44 C43 C42 118.2(11) . . ?
C44 C43 H43 120.9 . . ?
C42 C43 H43 120.9 . . ?
C43 C44 C45 119.5(11) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
N9 C45 C44 122.7(10) . . ?
N9 C45 C46 116.9(10) . . ?
C44 C45 C46 120.4(10) . . ?
N10 C46 C47 121.5(10) . . ?
N10 C46 C45 117.6(9) . . ?
C47 C46 C45 120.9(10) . . ?
C48 C47 C46 119.4(10) . . ?
C48 C47 H47 120.3 . . ?
C46 C47 H47 120.3 . . ?
C47 C48 C49 119.3(10) . . ?
C47 C48 H48 120.3 . . ?
C49 C48 H48 120.3 . . ?
C48 C49 C50 117.6(10) . . ?
C48 C49 H49 121.2 . . ?
C50 C49 H49 121.2 . . ?
N10 C50 C49 122.9(10) . . ?
N10 C50 N11 117.2(8) . . ?
C49 C50 N11 119.9(9) . . ?
N12 C51 N11 117.1(8) . . ?
N12 C51 Au2 124.1(7) . . ?
N11 C51 Au2 118.6(7) . . ?
N11 C52 C56 108.8(7) . . ?
N11 C52 C53 107.9(7) . . ?
C56 C52 C53 105.7(8) . . ?
N11 C52 H52 111.4 . . ?
C56 C52 H52 111.4 . . ?
C53 C52 H52 111.4 . . ?
C52 C53 C54 104.0(7) . . ?
C52 C53 H53A 111.0 . . ?
C54 C53 H53A 111.0 . . ?
C52 C53 H53B 111.0 . . ?
C54 C53 H53B 111.0 . . ?
H53A C53 H53B 109.0 . . ?
C55 C54 C53 104.4(7) . . ?
C55 C54 H54A 110.9 . . ?
C53 C54 H54A 110.9 . . ?
C55 C54 H54B 110.9 . . ?
C53 C54 H54B 110.9 . . ?
H54A C54 H54B 108.9 . . ?
N12 C55 C54 106.9(8) . . ?
N12 C55 C59 111.1(8) . . ?
C54 C55 C59 113.7(8) . . ?
N12 C55 C56 106.4(7) . . ?
C54 C55 C56 104.5(7) . . ?
C59 C55 C56 113.6(9) . . ?
C52 C56 C57 115.1(8) . . ?
C52 C56 C58 109.4(7) . . ?
C57 C56 C58 108.9(8) . . ?
C52 C56 C55 97.4(7) . . ?
C57 C56 C55 114.2(7) . . ?
C58 C56 C55 111.4(8) . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C55 C59 H59A 109.5 . . ?
C55 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C55 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
N12 C60 H60A 109.5 . . ?
N12 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
N12 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
N13 C61 C62 122.3(11) . . ?
N13 C61 H61 118.9 . . ?
C62 C61 H61 118.9 . . ?
C63 C62 C61 118.1(9) . . ?
C63 C62 H62 121.0 . . ?
C61 C62 H62 121.0 . . ?
C62 C63 C64 121.0(10) . . ?
C62 C63 H63 119.5 . . ?
C64 C63 H63 119.5 . . ?
C63 C64 C65 117.7(11) . . ?
C63 C64 H64 121.1 . . ?
C65 C64 H64 121.1 . . ?
N13 C65 C64 120.4(9) . . ?
N13 C65 C66 119.7(9) . . ?
C64 C65 C66 119.8(9) . . ?
N14 C66 C67 122.0(8) . . ?
N14 C66 C65 115.7(8) . . ?
C67 C66 C65 122.3(9) . . ?
C68 C67 C66 118.9(10) . . ?
C68 C67 H67 120.5 . . ?
C66 C67 H67 120.5 . . ?
C67 C68 C69 119.7(10) . . ?
C67 C68 H68 120.1 . . ?
C69 C68 H68 120.1 . . ?
C70 C69 C68 118.1(9) . . ?
C70 C69 H69 121.0 . . ?
C68 C69 H69 121.0 . . ?
N14 C70 C69 123.6(9) . . ?
N14 C70 N15 117.4(8) . . ?
C69 C70 N15 119.0(8) . . ?
N16 C71 N15 116.1(8) . . ?
N16 C71 Au2 124.1(7) . . ?
N15 C71 Au2 119.6(6) . . ?
N15 C72 C73 108.1(8) . . ?
N15 C72 C76 107.4(7) . . ?
C73 C72 C76 106.6(8) . . ?
N15 C72 H72 111.5 . . ?
C73 C72 H72 111.5 . . ?
C76 C72 H72 111.5 . . ?
C72 C73 C74 104.0(8) . . ?
C72 C73 H73A 111.0 . . ?
C74 C73 H73A 111.0 . . ?
C72 C73 H73B 111.0 . . ?
C74 C73 H73B 111.0 . . ?
H73A C73 H73B 109.0 . . ?
C75 C74 C73 104.7(8) . . ?
C75 C74 H74A 110.8 . . ?
C73 C74 H74A 110.8 . . ?
C75 C74 H74B 110.8 . . ?
C73 C74 H74B 110.8 . . ?
H74A C74 H74B 108.9 . . ?
N16 C75 C74 108.1(7) . . ?
N16 C75 C79 111.8(8) . . ?
C74 C75 C79 113.1(9) . . ?
N16 C75 C76 105.8(8) . . ?
C74 C75 C76 104.4(8) . . ?
C79 C75 C76 113.1(8) . . ?
C77 C76 C78 108.9(8) . . ?
C77 C76 C72 115.0(8) . . ?
C78 C76 C72 109.0(7) . . ?
C77 C76 C75 114.9(8) . . ?
C78 C76 C75 111.7(9) . . ?
C72 C76 C75 96.8(7) . . ?
C76 C77 H77A 109.5 . . ?
C76 C77 H77B 109.5 . . ?
H77A C77 H77B 109.5 . . ?
C76 C77 H77C 109.5 . . ?
H77A C77 H77C 109.5 . . ?
H77B C77 H77C 109.5 . . ?
C76 C78 H78A 109.5 . . ?
C76 C78 H78B 109.5 . . ?
H78A C78 H78B 109.5 . . ?
C76 C78 H78C 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C75 C79 H79A 109.5 . . ?
C75 C79 H79B 109.5 . . ?
H79A C79 H79B 109.5 . . ?
C75 C79 H79C 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
N16 C80 H80A 109.5 . . ?
N16 C80 H80B 109.5 . . ?
H80A C80 H80B 109.5 . . ?
N16 C80 H80C 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
C1 N1 C5 118.6(9) . . ?
C1 N1 Ag1 120.3(7) . . ?
C5 N1 Ag1 118.3(7) . . ?
C10 N2 C6 118.4(8) . . ?
C10 N2 Ag1 130.1(6) . . ?
C6 N2 Ag1 111.5(6) . . ?
C11 N3 C10 119.9(7) . . ?
C11 N3 C12 120.6(8) . . ?
C10 N3 C12 119.5(7) . . ?
C11 N4 C20 117.5(8) . . ?
C11 N4 C15 124.5(8) . . ?
C20 N4 C15 117.7(8) . . ?
C21 N5 C25 117.5(8) . . ?
C21 N5 Ag1 117.6(6) . . ?
C25 N5 Ag1 124.5(6) . . ?
C30 N6 C26 118.9(8) . . ?
C31 N7 C30 121.9(8) . . ?
C31 N7 C32 120.3(7) . . ?
C30 N7 C32 117.8(7) . . ?
C31 N8 C40 119.9(8) . . ?
C31 N8 C35 123.1(8) . . ?
C40 N8 C35 116.3(8) . . ?
C45 N9 C41 118.1(10) . . ?
C45 N9 Ag2 120.4(7) . . ?
C41 N9 Ag2 119.6(7) . . ?
C50 N10 C46 119.0(8) . . ?
C50 N10 Ag2 129.0(6) . . ?
C46 N10 Ag2 111.9(6) . . ?
C51 N11 C50 121.6(8) . . ?
C51 N11 C52 121.3(8) . . ?
C50 N11 C52 117.1(7) . . ?
C51 N12 C60 119.9(8) . . ?
C51 N12 C55 122.6(8) . . ?
C60 N12 C55 117.0(8) . . ?
C61 N13 C65 120.4(9) . . ?
C61 N13 Ag2 117.3(7) . . ?
C65 N13 Ag2 121.9(6) . . ?
C70 N14 C66 117.5(8) . . ?
C70 N14 Ag2 129.2(6) . . ?
C66 N14 Ag2 112.4(6) . . ?
C71 N15 C70 119.8(7) . . ?
C71 N15 C72 121.6(7) . . ?
C70 N15 C72 118.5(7) . . ?
C71 N16 C80 118.6(8) . . ?
C71 N16 C75 123.7(8) . . ?
C80 N16 C75 117.8(8) . . ?
F1 B1 F2 111.2(12) . . ?
F1 B1 F4 109.1(11) . . ?
F2 B1 F4 109.3(11) . . ?
F1 B1 F3 111.9(11) . . ?
F2 B1 F3 108.3(11) . . ?
F4 B1 F3 107.0(11) . . ?
F1B B1B F4B 108.1(15) . . ?
F1B B1B F2B 113.0(16) . . ?
F4B B1B F2B 110.2(15) . . ?
F1B B1B F3B 111.2(15) . . ?
F4B B1B F3B 107.9(16) . . ?
F2B B1B F3B 106.3(15) . . ?
F5 B2 F6 113.6(15) . . ?
F5 B2 F8 108.8(14) . . ?
F6 B2 F8 112.4(14) . . ?
F5 B2 F7 110.3(14) . . ?
F6 B2 F7 104.8(13) . . ?
F8 B2 F7 106.6(13) . . ?
F5B B2B F6B 115.1(15) . . ?
F5B B2B F8B 109.0(15) . . ?
F6B B2B F8B 108.8(13) . . ?
F5B B2B F7B 107.5(14) . . ?
F6B B2B F7B 109.7(15) . . ?
F8B B2B F7B 106.4(14) . . ?
F10 B3 F9 114.2(10) . . ?
F10 B3 F11 108.3(10) . . ?
F9 B3 F11 110.3(10) . . ?
F10 B3 F12 111.3(10) . . ?
F9 B3 F12 108.3(9) . . ?
F11 B3 F12 103.9(10) . . ?
F13 B4 F16 109.0(13) . . ?
F13 B4 F14 112.3(14) . . ?
F16 B4 F14 109.0(13) . . ?
F13 B4 F15 109.5(13) . . ?
F16 B4 F15 108.8(14) . . ?
F14 B4 F15 108.2(13) . . ?
F13B B4B F16B 109.6(13) . . ?
F13B B4B F14B 112.9(14) . . ?
F16B B4B F14B 109.1(12) . . ?
F13B B4B F15B 110.9(13) . . ?
F16B B4B F15B 107.0(13) . . ?
F14B B4B F15B 107.1(13) . . ?
N5 Ag1 N1 136.5(3) . . ?
N5 Ag1 N2 139.4(3) . . ?
N1 Ag1 N2 70.4(3) . . ?
N5 Ag1 Au1 110.7(2) . . ?
N1 Ag1 Au1 111.8(2) . . ?
N2 Ag1 Au1 63.95(16) . . ?
N13 Ag2 N9 145.1(3) . . ?
N13 Ag2 N10 129.9(3) . . ?
N9 Ag2 N10 70.2(3) . . ?
N13 Ag2 N14 69.4(3) . . ?
N9 Ag2 N14 123.2(3) . . ?
N10 Ag2 N14 130.2(2) . . ?
N13 Ag2 Au2 106.6(2) . . ?
N9 Ag2 Au2 108.3(2) . . ?
N10 Ag2 Au2 63.94(16) . . ?
N14 Ag2 Au2 66.50(16) . . ?
C11 Au1 C31 175.3(4) . . ?
C11 Au1 Ag1 85.8(2) . . ?
C31 Au1 Ag1 90.3(3) . . ?
C71 Au2 C51 172.7(4) . . ?
C71 Au2 Ag2 87.3(2) . . ?
C51 Au2 Ag2 85.6(3) . . ?
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 N1 1.339(13) . ?
C1 C2 1.380(16) . ?
C1 H1 0.9500 . ?
C2 C3 1.367(18) . ?
C2 H2 0.9500 . ?
C3 C4 1.379(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.410(14) . ?
C4 H4 0.9500 . ?
C5 N1 1.346(12) . ?
C5 C6 1.487(14) . ?
C6 N2 1.337(12) . ?
C6 C7 1.407(15) . ?
C7 C8 1.356(16) . ?
C7 H7 0.9500 . ?
C8 C9 1.377(15) . ?
C8 H8 0.9500 . ?
C9 C10 1.396(14) . ?
C9 H9 0.9500 . ?
C10 N2 1.320(13) . ?
C10 N3 1.418(12) . ?
C11 N4 1.327(12) . ?
C11 N3 1.377(12) . ?
C11 Au1 2.031(8) . ?
C12 N3 1.477(11) . ?
C12 C16 1.526(12) . ?
C12 C13 1.540(13) . ?
C12 H12 1.0000 . ?
C13 C14 1.544(13) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.542(13) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C19 1.508(14) . ?
C15 N4 1.519(12) . ?
C15 C16 1.529(12) . ?
C16 C18 1.514(12) . ?
C16 C17 1.548(11) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 N4 1.458(12) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 N5 1.341(12) . ?
C21 C22 1.367(14) . ?
C21 H21 0.9500 . ?
C22 C23 1.362(15) . ?
C22 H22 0.9500 . ?
C23 C24 1.369(15) . ?
C23 H23 0.9500 . ?
C24 C25 1.390(13) . ?
C24 H24 0.9500 . ?
C25 N5 1.350(12) . ?
C25 C26 1.480(13) . ?
C26 N6 1.352(12) . ?
C26 C27 1.402(14) . ?
C27 C28 1.350(14) . ?
C27 H27 0.9500 . ?
C28 C29 1.387(15) . ?
C28 H28 0.9500 . ?
C29 C30 1.411(13) . ?
C29 H29 0.9500 . ?
C30 N6 1.325(11) . ?
C30 N7 1.405(11) . ?
C31 N8 1.331(12) . ?
C31 N7 1.335(12) . ?
C31 Au1 2.045(9) . ?
C32 N7 1.503(11) . ?
C32 C33 1.523(13) . ?
C32 C36 1.531(12) . ?
C32 H32 1.0000 . ?
C33 C34 1.550(14) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.535(13) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C39 1.503(14) . ?
C35 N8 1.535(12) . ?
C35 C36 1.544(12) . ?
C36 C38 1.514(12) . ?
C36 C37 1.538(11) . ?
C37 H37A 0.9800 . ?
C37 H37B 0.9800 . ?
C37 H37C 0.9800 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
C40 N8 1.464(13) . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C41 N9 1.342(14) . ?
C41 C42 1.384(17) . ?
C41 H41 0.9500 . ?
C42 C43 1.376(18) . ?
C42 H42 0.9500 . ?
C43 C44 1.353(16) . ?
C43 H43 0.9500 . ?
C44 C45 1.385(15) . ?
C44 H44 0.9500 . ?
C45 N9 1.334(14) . ?
C45 C46 1.505(15) . ?
C46 N10 1.340(13) . ?
C46 C47 1.384(14) . ?
C47 C48 1.384(15) . ?
C47 H47 0.9500 . ?
C48 C49 1.389(15) . ?
C48 H48 0.9500 . ?
C49 C50 1.391(13) . ?
C49 H49 0.9500 . ?
C50 N10 1.338(13) . ?
C50 N11 1.427(12) . ?
C51 N12 1.332(12) . ?
C51 N11 1.341(12) . ?
C51 Au2 2.039(9) . ?
C52 N11 1.492(11) . ?
C52 C56 1.510(13) . ?
C52 C53 1.534(12) . ?
C52 H52 1.0000 . ?
C53 C54 1.559(13) . ?
C53 H53A 0.9900 . ?
C53 H53B 0.9900 . ?
C54 C55 1.531(13) . ?
C54 H54A 0.9900 . ?
C54 H54B 0.9900 . ?
C55 N12 1.516(12) . ?
C55 C59 1.541(14) . ?
C55 C56 1.565(13) . ?
C56 C57 1.513(13) . ?
C56 C58 1.553(12) . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 H59A 0.9800 . ?
C59 H59B 0.9800 . ?
C59 H59C 0.9800 . ?
C60 N12 1.465(12) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 N13 1.322(12) . ?
C61 C62 1.379(15) . ?
C61 H61 0.9500 . ?
C62 C63 1.354(17) . ?
C62 H62 0.9500 . ?
C63 C64 1.380(15) . ?
C63 H63 0.9500 . ?
C64 C65 1.406(13) . ?
C64 H64 0.9500 . ?
C65 N13 1.333(13) . ?
C65 C66 1.485(13) . ?
C66 N14 1.357(11) . ?
C66 C67 1.384(14) . ?
C67 C68 1.369(14) . ?
C67 H67 0.9500 . ?
C68 C69 1.383(15) . ?
C68 H68 0.9500 . ?
C69 C70 1.373(13) . ?
C69 H69 0.9500 . ?
C70 N14 1.335(11) . ?
C70 N15 1.426(11) . ?
C71 N16 1.313(11) . ?
C71 N15 1.370(12) . ?
C71 Au2 2.037(8) . ?
C72 N15 1.483(11) . ?
C72 C73 1.506(14) . ?
C72 C76 1.530(12) . ?
C72 H72 1.0000 . ?
C73 C74 1.564(13) . ?
C73 H73A 0.9900 . ?
C73 H73B 0.9900 . ?
C74 C75 1.527(14) . ?
C74 H74A 0.9900 . ?
C74 H74B 0.9900 . ?
C75 N16 1.497(12) . ?
C75 C79 1.534(12) . ?
C75 C76 1.567(14) . ?
C76 C77 1.508(14) . ?
C76 C78 1.523(12) . ?
C77 H77A 0.9800 . ?
C77 H77B 0.9800 . ?
C77 H77C 0.9800 . ?
C78 H78A 0.9800 . ?
C78 H78B 0.9800 . ?
C78 H78C 0.9800 . ?
C79 H79A 0.9800 . ?
C79 H79B 0.9800 . ?
C79 H79C 0.9800 . ?
C80 N16 1.487(13) . ?
C80 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
N1 Ag1 2.262(9) . ?
N2 Ag1 2.515(8) . ?
N5 Ag1 2.224(8) . ?
N9 Ag2 2.254(9) . ?
N10 Ag2 2.518(8) . ?
N13 Ag2 2.242(8) . ?
N14 Ag2 2.557(7) . ?
B1 F1 1.339(12) . ?
B1 F2 1.375(12) . ?
B1 F4 1.375(13) . ?
B1 F3 1.404(12) . ?
B1B F1B 1.341(14) . ?
B1B F4B 1.374(15) . ?
B1B F2B 1.375(13) . ?
B1B F3B 1.408(14) . ?
B2 F5 1.338(14) . ?
B2 F6 1.364(13) . ?
B2 F8 1.372(14) . ?
B2 F7 1.410(14) . ?
B2B F5B 1.342(14) . ?
B2B F6B 1.366(13) . ?
B2B F8B 1.377(14) . ?
B2B F7B 1.410(14) . ?
B3 F10 1.349(15) . ?
B3 F9 1.373(12) . ?
B3 F11 1.390(14) . ?
B3 F12 1.391(14) . ?
B4 F13 1.343(13) . ?
B4 F16 1.375(14) . ?
B4 F14 1.379(13) . ?
B4 F15 1.409(13) . ?
B4B F13B 1.343(13) . ?
B4B F16B 1.378(13) . ?
B4B F14B 1.379(12) . ?
B4B F15B 1.410(13) . ?
Ag1 Au1 2.8544(9) . ?
Ag2 Au2 2.9011(9) . ?
