#------------------------------------------------------------------------------
#$Date: 2023-08-05 11:33:58 +0300 (Sat, 05 Aug 2023) $
#$Revision: 285461 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/92/1569290.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_1569290
loop_
_publ_author_name
'Ma, Xinyuan'
'Voloshkin, Vladislav A.'
'Martynova, Ekaterina A.'
'Beliš, Marek'
'Peng, Min'
'Villa, Marco'
'Tzouras, Nikolaos V.'
'Janssens, Wim'
'Van Hecke, Kristof'
'Ceroni, Paola'
'Nolan, Steven P.'
_publ_section_title
;
 Novel dinuclear NHC--gold(i)-amido complexes and their application in
 energy transfer photocatalysis
;
_journal_issue                   14
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              4168
_journal_page_last               4175
_journal_paper_doi               10.1039/D3CY00716B
_journal_volume                  13
_journal_year                    2023
_chemical_formula_moiety         'C56 H50 Au2 N6'
_chemical_formula_sum            'C56 H50 Au2 N6'
_chemical_formula_weight         1200.96
_chemical_name_systematic        XM487-2
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-03-04
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_audit_update_record
;
2022-10-18 deposited with the CCDC.	2023-06-19 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.3770(10)
_cell_angle_gamma                90
_cell_formula_units_Z            20
_cell_length_a                   27.2565(3)
_cell_length_b                   17.0998(2)
_cell_length_c                   52.0080(6)
_cell_measurement_reflns_used    44549
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.2860
_cell_measurement_theta_min      2.8060
_cell_volume                     23763.6(5)
_computing_cell_refinement       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.67a (Rigaku OD, 2019)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT  (Sheldrick, 2015)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4839
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.871
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -37.00  63.50   0.75   20.00    --   -8.69  57.00 120.00  134
  2  ω    -82.00  18.50   0.75   20.00    --   -8.69 -57.00 -30.00  134
  3  ω    -20.00  80.50   0.75   20.00    --    7.83  57.00-150.00  134
  4  ω    -15.00  10.50   0.75   20.00    --    7.83 -99.00 -90.00   34
  5  ω      2.00  51.50   0.75   20.00    --    7.83-120.00  38.00   66
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at home/near, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0131455000
_diffrn_orient_matrix_UB_12      -0.0068373000
_diffrn_orient_matrix_UB_13      0.0129938000
_diffrn_orient_matrix_UB_21      0.0005420000
_diffrn_orient_matrix_UB_22      -0.0406244000
_diffrn_orient_matrix_UB_23      -0.0026737000
_diffrn_orient_matrix_UB_31      0.0230593000
_diffrn_orient_matrix_UB_32      0.0048285000
_diffrn_orient_matrix_UB_33      -0.0041848000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0723
_diffrn_reflns_av_unetI/netI     0.0749
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.871
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       65
_diffrn_reflns_limit_l_min       -69
_diffrn_reflns_number            123620
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.871
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.763
_diffrn_reflns_theta_min         2.513
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'SuperNova (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    6.211
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.680
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.67a (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            'clear colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.678
_exptl_crystal_description       irregular
_exptl_crystal_F_000             11720
_exptl_crystal_preparation       Synthesis
_exptl_crystal_recrystallization_method 'Hexane/DCM diffusion'
_exptl_crystal_size_max          0.217
_exptl_crystal_size_mid          0.114
_exptl_crystal_size_min          0.103
_refine_diff_density_max         2.006
_refine_diff_density_min         -1.374
_refine_diff_density_rms         0.191
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1457
_refine_ls_number_reflns         26919
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0842
_refine_ls_R_factor_gt           0.0583
_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)+(0.0079P)²+596.2996P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0932
_refine_ls_wR_factor_ref         0.1014
_reflns_Friedel_coverage         0.000
_reflns_number_gt                21244
_reflns_number_total             26919
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3cy00716b2.cif
_cod_data_source_block           xm487-2
_cod_depositor_comments
'Adding full bibliography for 1569289--1569290.cif.'
_cod_database_code               1569290
_shelx_shelxl_version_number     2018/3
_chemical_oxdiff_formula         'C56 H50 Au2 N6 '
_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.
;
_reflns_odcompleteness_completeness 99.87
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     25.07
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C25(H25A,H25B), C32(H32A,H32B), C81(H81A,H81B), C88(H88A,H88B), C137(H13J,H13K)
2.b Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C11(H11), C14(H14),
 C15(H15), C18(H18), C20(H20), C27(H27), C29(H29), C30(H30), C31(H31), C34(H34),
  C35(H35), C38(H38), C40(H40), C46(H46), C47(H47), C48(H48), C49(H49),
 C52(H52), C53(H53), C54(H54), C55(H55), C58(H58), C59(H59), C60(H60), C61(H61),
  C64(H64), C65(H65), C66(H66), C67(H67), C70(H70), C71(H71), C74(H74),
 C76(H76), C83(H83), C85(H85), C86(H86), C87(H87), C90(H90), C91(H91), C94(H94),
  C96(H96), C102(H102), C103(H103), C104(H104), C105(H105), C108(H108),
 C109(H109), C110(H110), C111(H111), C114(H114), C115(H115), C116(H116),
 C117(H117), C120(H120), C121(H121), C122(H122), C123(H123), C126(H126),
 C127(H127), C130(H130), C132(H132), C139(H139), C140(H140), C141(H141)
2.c Idealised Me refined as rotating group:
 C22(H22A,H22B,H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C42(H42A,H42B,
 H42C), C43(H43A,H43B,H43C), C44(H44A,H44B,H44C), C78(H78A,H78B,H78C), C79(H79A,
 H79B,H79C), C80(H80A,H80B,H80C), C98(H98A,H98B,H98C), C99(H99A,H99B,H99C),
 C100(H10A,H10B,H10C), C134(H13A,H13B,H13C), C135(H13D,H13E,H13F), C136(H13G,
 H13H,H13I)
;
_olex2_date_sample_data_collection 2022-03-03
_olex2_exptl_crystal_mounting_method 'Litho loop'
_olex2_submission_original_sample_id XM487-2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
- B-factor correction
;
_oxdiff_exptl_absorpt_empirical_full_max 1.405
_oxdiff_exptl_absorpt_empirical_full_min 0.799
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.68565(2) 0.84903(2) 0.49795(2) 0.01952(7) Uani 1 1 d . . . . .
Au2 Au 0.49555(2) 0.81479(2) 0.40844(2) 0.02228(7) Uani 1 1 d . . . . .
Au3 Au 0.37642(2) 0.61193(2) 0.38857(2) 0.02002(7) Uani 1 1 d . . . . .
Au4 Au 0.20289(2) 0.63055(2) 0.30234(2) 0.02025(7) Uani 1 1 d . . . . .
Au5 Au 0.08394(2) 0.83252(2) 0.28821(2) 0.01779(7) Uani 1 1 d . . . . .
N1 N 0.6970(2) 0.8915(4) 0.53484(12) 0.0207(14) Uani 1 1 d . . . . .
N2 N 0.6811(2) 0.8576(4) 0.44041(12) 0.0246(15) Uani 1 1 d . . . . .
N3 N 0.6781(2) 0.7382(4) 0.45213(13) 0.0227(15) Uani 1 1 d . . . . .
N4 N 0.4838(2) 0.7180(4) 0.45572(14) 0.0248(16) Uani 1 1 d . . . . .
N5 N 0.4769(2) 0.8406(4) 0.46208(13) 0.0236(15) Uani 1 1 d . . . . .
N6 N 0.5015(2) 0.8518(4) 0.37230(13) 0.0247(15) Uani 1 1 d . . . . .
N7 N 0.3736(2) 0.5801(4) 0.42533(12) 0.0221(15) Uani 1 1 d . . . . .
N8 N 0.3764(2) 0.5756(4) 0.33340(13) 0.0251(16) Uani 1 1 d . . . . .
N9 N 0.3796(2) 0.6997(4) 0.33813(13) 0.0235(15) Uani 1 1 d . . . . .
N10 N 0.1904(2) 0.7348(4) 0.34698(13) 0.0244(15) Uani 1 1 d . . . . .
N11 N 0.1800(2) 0.6136(4) 0.35568(13) 0.0295(17) Uani 1 1 d . . . . .
N12 N 0.2099(2) 0.5924(4) 0.26634(13) 0.0232(15) Uani 1 1 d . . . . .
N13 N 0.0793(2) 0.8654(4) 0.32489(12) 0.0211(14) Uani 1 1 d . . . . .
N14 N 0.0953(3) 0.8673(4) 0.23432(13) 0.0245(16) Uani 1 1 d . . . . .
N15 N 0.0917(2) 0.7433(4) 0.23871(14) 0.0243(15) Uani 1 1 d . . . . .
C1 C 0.7195(3) 0.9634(5) 0.54160(16) 0.0235(18) Uani 1 1 d . . . . .
C2 C 0.7274(3) 1.0256(5) 0.52534(17) 0.0277(19) Uani 1 1 d . . . . .
H2 H 0.715746 1.022238 0.506906 0.033 Uiso 1 1 calc R U . . .
C3 C 0.7516(3) 1.0904(5) 0.53607(17) 0.031(2) Uani 1 1 d . . . . .
H3 H 0.757556 1.131840 0.524908 0.037 Uiso 1 1 calc R U . . .
C4 C 0.7684(3) 1.0980(5) 0.56347(17) 0.031(2) Uani 1 1 d . . . . .
H4 H 0.784760 1.144462 0.570625 0.038 Uiso 1 1 calc R U . . .
C5 C 0.7606(3) 1.0374(5) 0.57969(16) 0.0254(19) Uani 1 1 d . . . . .
H5 H 0.772067 1.042188 0.598093 0.030 Uiso 1 1 calc R U . . .
C6 C 0.7363(3) 0.9691(5) 0.56946(16) 0.0255(19) Uani 1 1 d . . . . .
C7 C 0.7229(3) 0.8967(5) 0.58003(16) 0.0231(18) Uani 1 1 d . . . . .
C8 C 0.7289(3) 0.8657(5) 0.60520(16) 0.0262(19) Uani 1 1 d . . . . .
H8 H 0.744763 0.895168 0.619995 0.031 Uiso 1 1 calc R U . . .
C9 C 0.7111(3) 0.7908(5) 0.60827(18) 0.031(2) Uani 1 1 d . . . . .
H9 H 0.715158 0.769317 0.625398 0.037 Uiso 1 1 calc R U . . .
C10 C 0.6875(3) 0.7463(5) 0.58682(18) 0.033(2) Uani 1 1 d . . . . .
H10 H 0.675559 0.695375 0.589616 0.040 Uiso 1 1 calc R U . . .
C11 C 0.6812(3) 0.7755(5) 0.56158(17) 0.0273(19) Uani 1 1 d . . . . .
H11 H 0.665090 0.745392 0.546987 0.033 Uiso 1 1 calc R U . . .
C12 C 0.6993(3) 0.8512(5) 0.55810(15) 0.0210(17) Uani 1 1 d . . . . .
C13 C 0.6802(3) 0.8124(5) 0.46150(15) 0.0203(17) Uani 1 1 d . . . . .
C14 C 0.6798(3) 0.8117(6) 0.41809(17) 0.034(2) Uani 1 1 d . . . . .
H14 H 0.680200 0.829721 0.400860 0.041 Uiso 1 1 calc R U . . .
C15 C 0.6778(3) 0.7379(5) 0.42565(17) 0.031(2) Uani 1 1 d . . . . .
H15 H 0.676416 0.692973 0.414779 0.038 Uiso 1 1 calc R U . . .
C16 C 0.6854(3) 0.9417(5) 0.44122(16) 0.0240(18) Uani 1 1 d . . . . .
C17 C 0.7310(3) 0.9755(5) 0.45274(16) 0.0259(19) Uani 1 1 d . . . . .
C18 C 0.7333(3) 1.0558(5) 0.45502(16) 0.0276(19) Uani 1 1 d . . . . .
H18 H 0.764197 1.079475 0.462777 0.033 Uiso 1 1 calc R U . . .
C19 C 0.6917(3) 1.1035(5) 0.44629(16) 0.0276(19) Uani 1 1 d . . . . .
C20 C 0.6479(3) 1.0674(5) 0.43458(17) 0.033(2) Uani 1 1 d . . . . .
H20 H 0.619420 1.098857 0.428223 0.039 Uiso 1 1 calc R U . . .
C21 C 0.6437(3) 0.9869(5) 0.43166(16) 0.0279(19) Uani 1 1 d . . . . .
C22 C 0.7771(3) 0.9268(5) 0.4621(2) 0.038(2) Uani 1 1 d . . . . .
H22A H 0.802332 0.939059 0.451643 0.057 Uiso 1 1 calc R U . . .
H22B H 0.768453 0.871238 0.460249 0.057 Uiso 1 1 calc R U . . .
H22C H 0.790658 0.938571 0.480617 0.057 Uiso 1 1 calc R U . . .
C23 C 0.6958(4) 1.1904(5) 0.4490(2) 0.044(3) Uani 1 1 d . . . . .
H23A H 0.714636 1.210984 0.436263 0.066 Uiso 1 1 calc R U . . .
H23B H 0.713281 1.203682 0.466792 0.066 Uiso 1 1 calc R U . . .
H23C H 0.662245 1.213427 0.445735 0.066 Uiso 1 1 calc R U . . .
C24 C 0.5951(3) 0.9497(6) 0.41715(19) 0.040(2) Uani 1 1 d . . . . .
H24A H 0.598778 0.934987 0.399410 0.060 Uiso 1 1 calc R U . . .
H24B H 0.567638 0.987255 0.416079 0.060 Uiso 1 1 calc R U . . .
H24C H 0.587803 0.902983 0.426636 0.060 Uiso 1 1 calc R U . . .
C25 C 0.6770(3) 0.6679(5) 0.46834(17) 0.0241(18) Uani 1 1 d . . . . .
H25A H 0.678354 0.683881 0.486766 0.029 Uiso 1 1 calc R U . . .
H25B H 0.706905 0.635700 0.467785 0.029 Uiso 1 1 calc R U . . .
C26 C 0.6308(3) 0.6196(5) 0.45917(15) 0.0212(17) Uani 1 1 d . . . . .
C27 C 0.5834(3) 0.6535(5) 0.45553(14) 0.0183(16) Uani 1 1 d . . . . .
H27 H 0.580409 0.708069 0.458303 0.022 Uiso 1 1 calc R U . . .
C28 C 0.5404(3) 0.6087(5) 0.44791(15) 0.0214(17) Uani 1 1 d . . . . .
C29 C 0.5457(3) 0.5295(5) 0.44395(16) 0.031(2) Uani 1 1 d . . . . .
H29 H 0.516634 0.498033 0.438906 0.037 Uiso 1 1 calc R U . . .
C30 C 0.5924(3) 0.4950(5) 0.44718(16) 0.029(2) Uani 1 1 d . . . . .
H30 H 0.595199 0.440490 0.444270 0.034 Uiso 1 1 calc R U . . .
C31 C 0.6355(3) 0.5403(5) 0.45473(16) 0.0265(19) Uani 1 1 d . . . . .
H31 H 0.667680 0.517057 0.456792 0.032 Uiso 1 1 calc R U . . .
C32 C 0.4887(3) 0.6434(5) 0.44276(18) 0.030(2) Uani 1 1 d . . . . .
H32A H 0.477690 0.650738 0.423607 0.036 Uiso 1 1 calc R U . . .
H32B H 0.465602 0.605307 0.448444 0.036 Uiso 1 1 calc R U . . .
C33 C 0.4851(3) 0.7881(5) 0.44405(16) 0.0227(18) Uani 1 1 d . . . . .
C34 C 0.4746(3) 0.7263(6) 0.48071(18) 0.035(2) Uani 1 1 d . . . . .
H34 H 0.471909 0.685472 0.492743 0.042 Uiso 1 1 calc R U . . .
C35 C 0.4702(3) 0.8023(5) 0.48469(17) 0.031(2) Uani 1 1 d . . . . .
H35 H 0.463641 0.826156 0.500156 0.037 Uiso 1 1 calc R U . . .
C36 C 0.4730(3) 0.9239(5) 0.45750(17) 0.029(2) Uani 1 1 d . . . . .
C37 C 0.5152(3) 0.9701(5) 0.46561(17) 0.029(2) Uani 1 1 d . . . . .
C38 C 0.5100(3) 1.0492(5) 0.45979(18) 0.034(2) Uani 1 1 d . . . . .
H38 H 0.538494 1.081818 0.464595 0.041 Uiso 1 1 calc R U . . .
C39 C 0.4651(3) 1.0834(5) 0.44726(17) 0.033(2) Uani 1 1 d . . . . .
C40 C 0.4241(3) 1.0342(5) 0.44005(17) 0.033(2) Uani 1 1 d . . . . .
H40 H 0.393014 1.055995 0.431662 0.039 Uiso 1 1 calc R U . . .
C41 C 0.4270(3) 0.9545(5) 0.44466(17) 0.0276(19) Uani 1 1 d . . . . .
C42 C 0.5639(3) 0.9372(5) 0.48066(18) 0.033(2) Uani 1 1 d . . . . .
H42A H 0.561018 0.927292 0.498854 0.050 Uiso 1 1 calc R U . . .
H42B H 0.590961 0.974747 0.480345 0.050 Uiso 1 1 calc R U . . .
H42C H 0.571452 0.888047 0.472517 0.050 Uiso 1 1 calc R U . . .
C43 C 0.4613(4) 1.1695(5) 0.4414(2) 0.046(3) Uani 1 1 d . . . . .
H43A H 0.492985 1.194972 0.449152 0.069 Uiso 1 1 calc R U . . .
H43B H 0.434222 1.192067 0.448943 0.069 Uiso 1 1 calc R U . . .
H43C H 0.454218 1.177515 0.422403 0.069 Uiso 1 1 calc R U . . .
C44 C 0.3820(3) 0.9036(6) 0.4355(2) 0.043(3) Uani 1 1 d . . . . .
H44A H 0.388637 0.868128 0.421748 0.065 Uiso 1 1 calc R U . . .
H44B H 0.353027 0.936441 0.428441 0.065 Uiso 1 1 calc R U . . .
H44C H 0.375040 0.872888 0.450269 0.065 Uiso 1 1 calc R U . . .
C45 C 0.4824(3) 0.9240(5) 0.36322(16) 0.0233(18) Uani 1 1 d . . . . .
C46 C 0.4687(3) 0.9860(5) 0.37798(17) 0.0273(19) Uani 1 1 d . . . . .
H46 H 0.473754 0.982848 0.396550 0.033 Uiso 1 1 calc R U . . .
C47 C 0.4478(3) 1.0516(5) 0.36479(18) 0.034(2) Uani 1 1 d . . . . .
H47 H 0.438324 1.094139 0.374502 0.041 Uiso 1 1 calc R U . . .
C48 C 0.4402(4) 1.0571(5) 0.33737(19) 0.039(2) Uani 1 1 d . . . . .
H48 H 0.424652 1.102366 0.328774 0.046 Uiso 1 1 calc R U . . .
C49 C 0.4550(3) 0.9973(5) 0.32280(18) 0.034(2) Uani 1 1 d . . . . .
H49 H 0.450935 1.001777 0.304290 0.040 Uiso 1 1 calc R U . . .
C50 C 0.4762(3) 0.9294(5) 0.33578(16) 0.0241(18) Uani 1 1 d . . . . .
C51 C 0.4928(3) 0.8559(5) 0.32748(17) 0.030(2) Uani 1 1 d . . . . .
C52 C 0.4957(3) 0.8239(6) 0.30280(18) 0.037(2) Uani 1 1 d . . . . .
H52 H 0.486060 0.853904 0.287249 0.044 Uiso 1 1 calc R U . . .
C53 C 0.5126(3) 0.7493(7) 0.3017(2) 0.046(3) Uani 1 1 d . . . . .
H53 H 0.514374 0.727230 0.285130 0.056 Uiso 1 1 calc R U . . .
C54 C 0.5276(3) 0.7039(6) 0.3246(2) 0.043(3) Uani 1 1 d . . . . .
H54 H 0.539627 0.652311 0.323154 0.051 Uiso 1 1 calc R U . . .
C55 C 0.5249(3) 0.7337(5) 0.3490(2) 0.033(2) Uani 1 1 d . . . . .
H55 H 0.534172 0.702746 0.364360 0.039 Uiso 1 1 calc R U . . .
C56 C 0.5079(3) 0.8110(5) 0.35040(17) 0.0271(19) Uani 1 1 d . . . . .
C57 C 0.3925(3) 0.5102(5) 0.43638(15) 0.0218(17) Uani 1 1 d . . . . .
C58 C 0.4082(3) 0.4446(5) 0.42399(16) 0.0258(18) Uani 1 1 d . . . . .
H58 H 0.406765 0.444180 0.405588 0.031 Uiso 1 1 calc R U . . .
C59 C 0.4257(3) 0.3810(5) 0.4391(2) 0.037(2) Uani 1 1 d . . . . .
H59 H 0.436415 0.336296 0.430892 0.044 Uiso 1 1 calc R U . . .
C60 C 0.4282(3) 0.3798(5) 0.46630(16) 0.030(2) Uani 1 1 d . . . . .
H60 H 0.440043 0.334601 0.476230 0.036 Uiso 1 1 calc R U . . .
C61 C 0.4135(3) 0.4440(5) 0.47837(17) 0.029(2) Uani 1 1 d . . . . .
H61 H 0.415739 0.443564 0.496828 0.035 Uiso 1 1 calc R U . . .
C62 C 0.3955(3) 0.5098(5) 0.46410(15) 0.0225(18) Uani 1 1 d . . . . .
C63 C 0.3751(3) 0.5841(5) 0.46960(17) 0.0259(19) Uani 1 1 d . . . . .
C64 C 0.3657(3) 0.6191(6) 0.49250(18) 0.036(2) Uani 1 1 d . . . . .
H64 H 0.373199 0.592155 0.508772 0.044 Uiso 1 1 calc R U . . .
C65 C 0.3451(4) 0.6942(6) 0.4911(2) 0.048(3) Uani 1 1 d . . . . .
H65 H 0.338889 0.718644 0.506509 0.058 Uiso 1 1 calc R U . . .
C66 C 0.3337(4) 0.7332(6) 0.4674(2) 0.046(3) Uani 1 1 d . . . . .
H66 H 0.319814 0.784277 0.466754 0.055 Uiso 1 1 calc R U . . .
C67 C 0.3422(3) 0.6991(5) 0.44447(18) 0.030(2) Uani 1 1 d . . . . .
H67 H 0.333988 0.726846 0.428367 0.037 Uiso 1 1 calc R U . . .
C68 C 0.3628(3) 0.6241(5) 0.44493(16) 0.0200(17) Uani 1 1 d . . . . .
C69 C 0.3791(3) 0.6325(5) 0.35161(15) 0.0194(17) Uani 1 1 d . . . . .
C70 C 0.3749(4) 0.6078(5) 0.30877(18) 0.036(2) Uani 1 1 d . . . . .
H70 H 0.372350 0.580325 0.292682 0.043 Uiso 1 1 calc R U . . .
C71 C 0.3776(4) 0.6843(5) 0.31222(19) 0.041(2) Uani 1 1 d . . . . .
H71 H 0.378084 0.722201 0.298903 0.049 Uiso 1 1 calc R U . . .
C72 C 0.3815(3) 0.4940(5) 0.33971(16) 0.0233(18) Uani 1 1 d . . . . .
C73 C 0.4293(3) 0.4664(5) 0.35199(17) 0.0265(19) Uani 1 1 d . . . . .
C74 C 0.4332(3) 0.3878(5) 0.35899(16) 0.0269(19) Uani 1 1 d . . . . .
H74 H 0.465003 0.367922 0.367096 0.032 Uiso 1 1 calc R U . . .
C75 C 0.3928(3) 0.3373(5) 0.35471(15) 0.0239(18) Uani 1 1 d . . . . .
C76 C 0.3468(3) 0.3661(5) 0.34216(16) 0.0266(19) Uani 1 1 d . . . . .
H76 H 0.318898 0.331755 0.338853 0.032 Uiso 1 1 calc R U . . .
C77 C 0.3400(3) 0.4448(5) 0.33412(15) 0.0231(18) Uani 1 1 d . . . . .
C78 C 0.4741(3) 0.5206(5) 0.3575(2) 0.042(3) Uani 1 1 d . . . . .
H78A H 0.473249 0.551144 0.373307 0.063 Uiso 1 1 calc R U . . .
H78B H 0.473051 0.556009 0.342557 0.063 Uiso 1 1 calc R U . . .
H78C H 0.504940 0.489631 0.360070 0.063 Uiso 1 1 calc R U . . .
C79 C 0.3988(3) 0.2532(5) 0.36280(18) 0.034(2) Uani 1 1 d . . . . .
H79A H 0.393344 0.247613 0.380776 0.051 Uiso 1 1 calc R U . . .
H79B H 0.432678 0.235660 0.361974 0.051 Uiso 1 1 calc R U . . .
H79C H 0.374293 0.221396 0.350937 0.051 Uiso 1 1 calc R U . . .
C80 C 0.2907(3) 0.4740(5) 0.31932(17) 0.031(2) Uani 1 1 d . . . . .
H80A H 0.292515 0.481152 0.300830 0.046 Uiso 1 1 calc R U . . .
H80B H 0.282924 0.524166 0.326719 0.046 Uiso 1 1 calc R U . . .
H80C H 0.264525 0.435976 0.320727 0.046 Uiso 1 1 calc R U . . .
C81 C 0.3872(3) 0.7763(5) 0.35059(18) 0.0276(19) Uani 1 1 d . . . . .
H81A H 0.410083 0.806793 0.341819 0.033 Uiso 1 1 calc R U . . .
H81B H 0.404179 0.768898 0.369094 0.033 Uiso 1 1 calc R U . . .
C82 C 0.3403(3) 0.8240(5) 0.35012(15) 0.0197(17) Uani 1 1 d . . . . .
C83 C 0.2929(3) 0.7938(5) 0.34237(15) 0.0223(17) Uani 1 1 d . . . . .
H83 H 0.288677 0.740841 0.336901 0.027 Uiso 1 1 calc R U . . .
C84 C 0.2511(3) 0.8406(5) 0.34251(14) 0.0200(17) Uani 1 1 d . . . . .
C85 C 0.2568(3) 0.9166(5) 0.35089(16) 0.0254(18) Uani 1 1 d . . . . .
H85 H 0.228280 0.948080 0.351471 0.031 Uiso 1 1 calc R U . . .
C86 C 0.3041(3) 0.9467(5) 0.35843(18) 0.034(2) Uani 1 1 d . . . . .
H86 H 0.308167 0.999808 0.363832 0.040 Uiso 1 1 calc R U . . .
C87 C 0.3457(3) 0.9018(5) 0.35830(18) 0.031(2) Uani 1 1 d . . . . .
H87 H 0.378113 0.923545 0.363778 0.037 Uiso 1 1 calc R U . . .
C88 C 0.1993(3) 0.8067(5) 0.33338(18) 0.030(2) Uani 1 1 d . . . . .
H88A H 0.174222 0.846222 0.336013 0.036 Uiso 1 1 calc R U . . .
H88B H 0.194269 0.795772 0.314349 0.036 Uiso 1 1 calc R U . . .
C89 C 0.1909(3) 0.6620(5) 0.33706(16) 0.0247(18) Uani 1 1 d . . . . .
C90 C 0.1803(3) 0.7322(6) 0.37205(18) 0.034(2) Uani 1 1 d . . . . .
H90 H 0.178425 0.775411 0.383298 0.041 Uiso 1 1 calc R U . . .
C91 C 0.1736(3) 0.6574(6) 0.37726(18) 0.036(2) Uani 1 1 d . . . . .
H91 H 0.165878 0.637265 0.393015 0.043 Uiso 1 1 calc R U . . .
C92 C 0.1748(3) 0.5299(5) 0.35304(16) 0.0266(19) Uani 1 1 d . . . . .
C93 C 0.2143(3) 0.4823(5) 0.36612(16) 0.0268(19) Uani 1 1 d . . . . .
C94 C 0.2095(3) 0.4024(5) 0.36245(17) 0.030(2) Uani 1 1 d . . . . .
H94 H 0.235871 0.369182 0.370765 0.036 Uiso 1 1 calc R U . . .
C95 C 0.1673(3) 0.3691(5) 0.34693(15) 0.0277(19) Uani 1 1 d . . . . .
C96 C 0.1287(3) 0.4186(5) 0.33515(16) 0.0268(19) Uani 1 1 d . . . . .
H96 H 0.099405 0.396301 0.324865 0.032 Uiso 1 1 calc R U . . .
C97 C 0.1315(3) 0.4982(5) 0.33783(17) 0.028(2) Uani 1 1 d . . . . .
C98 C 0.2602(3) 0.5179(6) 0.38309(19) 0.041(2) Uani 1 1 d . . . . .
H98A H 0.274062 0.557930 0.373096 0.061 Uiso 1 1 calc R U . . .
H98B H 0.285246 0.477004 0.388600 0.061 Uiso 1 1 calc R U . . .
H98C H 0.250992 0.541778 0.398606 0.061 Uiso 1 1 calc R U . . .
C99 C 0.1637(3) 0.2822(5) 0.34312(19) 0.036(2) Uani 1 1 d . . . . .
H99A H 0.130080 0.264543 0.344532 0.053 Uiso 1 1 calc R U . . .
H99B H 0.188578 0.256415 0.356612 0.053 Uiso 1 1 calc R U . . .
H99C H 0.169941 0.268895 0.325732 0.053 Uiso 1 1 calc R U . . .
C100 C 0.0889(3) 0.5498(5) 0.32453(19) 0.037(2) Uani 1 1 d . . . . .
H10A H 0.080206 0.586851 0.337306 0.056 Uiso 1 1 calc R U . . .
H10B H 0.059699 0.517298 0.317498 0.056 Uiso 1 1 calc R U . . .
H10C H 0.099104 0.578680 0.310185 0.056 Uiso 1 1 calc R U . . .
C101 C 0.1892(3) 0.5219(5) 0.25693(17) 0.027(2) Uani 1 1 d . . . . .
C102 C 0.1731(3) 0.4601(5) 0.2711(2) 0.036(2) Uani 1 1 d . . . . .
H102 H 0.176537 0.462904 0.289577 0.044 Uiso 1 1 calc R U . . .
C103 C 0.1525(4) 0.3964(6) 0.2576(2) 0.054(3) Uani 1 1 d . . . . .
H103 H 0.141183 0.354280 0.266794 0.064 Uiso 1 1 calc R U . . .
C104 C 0.1476(5) 0.3913(6) 0.2303(3) 0.063(4) Uani 1 1 d . . . . .
H104 H 0.132651 0.346118 0.221395 0.076 Uiso 1 1 calc R U . . .
C105 C 0.1638(4) 0.4498(6) 0.2163(2) 0.051(3) Uani 1 1 d . . . . .
H105 H 0.160795 0.445077 0.197864 0.061 Uiso 1 1 calc R U . . .
C106 C 0.1848(3) 0.5166(5) 0.22930(19) 0.035(2) Uani 1 1 d . . . . .
C107 C 0.2039(3) 0.5895(6) 0.22182(17) 0.034(2) Uani 1 1 d . . . . .
C108 C 0.2108(4) 0.6226(7) 0.1979(2) 0.047(3) Uani 1 1 d . . . . .
H108 H 0.201877 0.593782 0.182049 0.056 Uiso 1 1 calc R U . . .
C109 C 0.2303(4) 0.6958(7) 0.1976(2) 0.052(3) Uani 1 1 d . . . . .
H109 H 0.234886 0.717340 0.181373 0.062 Uiso 1 1 calc R U . . .
C110 C 0.2437(4) 0.7398(6) 0.2204(2) 0.045(3) Uani 1 1 d . . . . .
H110 H 0.256944 0.790938 0.219525 0.054 Uiso 1 1 calc R U . . .
C111 C 0.2379(3) 0.7098(5) 0.2447(2) 0.035(2) Uani 1 1 d . . . . .
H111 H 0.247063 0.739631 0.260346 0.042 Uiso 1 1 calc R U . . .
C112 C 0.2181(3) 0.6340(5) 0.24514(17) 0.0261(19) Uani 1 1 d . . . . .
C113 C 0.0989(3) 0.9347(5) 0.33611(15) 0.0206(17) Uani 1 1 d . . . . .
C114 C 0.1165(3) 0.9976(5) 0.32316(16) 0.0227(18) Uani 1 1 d . . . . .
H114 H 0.115369 0.995892 0.304798 0.027 Uiso 1 1 calc R U . . .
C115 C 0.1355(3) 1.0624(5) 0.33785(17) 0.031(2) Uani 1 1 d . . . . .
H115 H 0.147874 1.105613 0.329555 0.038 Uiso 1 1 calc R U . . .
C116 C 0.1365(3) 1.0644(5) 0.36505(18) 0.034(2) Uani 1 1 d . . . . .
H116 H 0.149048 1.109681 0.374743 0.040 Uiso 1 1 calc R U . . .
C117 C 0.1200(3) 1.0029(5) 0.37789(17) 0.031(2) Uani 1 1 d . . . . .
H117 H 0.121333 1.005153 0.396272 0.037 Uiso 1 1 calc R U . . .
C118 C 0.1008(3) 0.9360(5) 0.36329(16) 0.0227(18) Uani 1 1 d . . . . .
C119 C 0.0803(3) 0.8625(5) 0.36940(15) 0.0224(17) Uani 1 1 d . . . . .
C120 C 0.0725(3) 0.8270(5) 0.39240(16) 0.031(2) Uani 1 1 d . . . . .
H120 H 0.080134 0.854022 0.408666 0.037 Uiso 1 1 calc R U . . .
C121 C 0.0535(3) 0.7520(5) 0.39109(19) 0.036(2) Uani 1 1 d . . . . .
H121 H 0.049341 0.726834 0.406809 0.043 Uiso 1 1 calc R U . . .
C122 C 0.0401(3) 0.7123(5) 0.36744(17) 0.031(2) Uani 1 1 d . . . . .
H122 H 0.026332 0.661237 0.367182 0.037 Uiso 1 1 calc R U . . .
C123 C 0.0468(3) 0.7465(5) 0.34421(18) 0.0284(19) Uani 1 1 d . . . . .
H123 H 0.037489 0.719437 0.328040 0.034 Uiso 1 1 calc R U . . .
C124 C 0.0675(3) 0.8215(5) 0.34494(16) 0.0212(17) Uani 1 1 d . . . . .
C125 C 0.0910(3) 0.8120(5) 0.25176(15) 0.0193(17) Uani 1 1 d . . . . .
C126 C 0.0976(4) 0.8357(5) 0.20998(18) 0.041(3) Uani 1 1 d . . . . .
H126 H 0.100057 0.863202 0.194412 0.050 Uiso 1 1 calc R U . . .
C127 C 0.0955(4) 0.7566(6) 0.21328(19) 0.040(2) Uani 1 1 d . . . . .
H127 H 0.096492 0.717913 0.200270 0.048 Uiso 1 1 calc R U . . .
C128 C 0.1008(3) 0.9496(5) 0.24051(15) 0.0228(18) Uani 1 1 d . . . . .
C129 C 0.0603(3) 1.0004(5) 0.23313(17) 0.0276(19) Uani 1 1 d . . . . .
C130 C 0.0668(3) 1.0778(5) 0.24149(17) 0.0283(19) Uani 1 1 d . . . . .
H130 H 0.039310 1.112766 0.237428 0.034 Uiso 1 1 calc R U . . .
C131 C 0.1120(3) 1.1056(5) 0.25551(16) 0.0248(18) Uani 1 1 d . . . . .
C132 C 0.1520(3) 1.0540(5) 0.26110(16) 0.0253(19) Uani 1 1 d . . . . .
H132 H 0.183531 1.073338 0.269978 0.030 Uiso 1 1 calc R U . . .
C133 C 0.1480(3) 0.9760(5) 0.25431(16) 0.0244(18) Uani 1 1 d . . . . .
C134 C 0.0114(3) 0.9711(6) 0.21728(18) 0.040(2) Uani 1 1 d . . . . .
H13A H 0.016102 0.955570 0.199790 0.059 Uiso 1 1 calc R U . . .
H13B H -0.013754 1.012743 0.215628 0.059 Uiso 1 1 calc R U . . .
H13C H -0.000018 0.925919 0.226109 0.059 Uiso 1 1 calc R U . . .
C135 C 0.1176(4) 1.1901(5) 0.26377(19) 0.037(2) Uani 1 1 d . . . . .
H13D H 0.091944 1.221441 0.252437 0.055 Uiso 1 1 calc R U . . .
H13E H 0.150844 1.208800 0.262239 0.055 Uiso 1 1 calc R U . . .
H13F H 0.113533 1.194938 0.282016 0.055 Uiso 1 1 calc R U . . .
C136 C 0.1917(3) 0.9216(5) 0.2612(2) 0.042(3) Uani 1 1 d . . . . .
H13G H 0.222420 0.952046 0.266897 0.062 Uiso 1 1 calc R U . . .
H13H H 0.194704 0.890276 0.245822 0.062 Uiso 1 1 calc R U . . .
H13I H 0.186649 0.886904 0.275461 0.062 Uiso 1 1 calc R U . . .
C137 C 0.0935(3) 0.6661(5) 0.25068(19) 0.030(2) Uani 1 1 d . . . . .
H13J H 0.109727 0.671089 0.269386 0.036 Uiso 1 1 calc R U . . .
H13K H 0.115072 0.632191 0.242197 0.036 Uiso 1 1 calc R U . . .
C138 C 0.0438(3) 0.6251(4) 0.24922(15) 0.0196(17) Uani 1 1 d . . . . .
C139 C 0.000000 0.6658(6) 0.250000 0.019(2) Uani 1 2 d S T P . .
H139 H 0.000001 0.721402 0.250001 0.023 Uiso 1 2 calc R U P . .
C140 C 0.000000 0.5046(7) 0.250000 0.026(3) Uani 1 2 d S T P . .
H140 H 0.000001 0.449001 0.250002 0.031 Uiso 1 2 calc R U P . .
C141 C 0.0435(3) 0.5442(5) 0.24928(15) 0.0251(18) Uani 1 1 d . . . . .
H141 H 0.073409 0.516079 0.248822 0.030 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 0.0000 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
26 17 -29 0.0597
34 -10 -30 0.0947
-20 -20 24 0.0325
-26 18 21 0.1088
13 0 -73 0.0574
3 1 71 0.0453
-25 -3 -45 0.0536
2 24 -7 0.0836
-37 2 35 0.1054
21 2 51 0.0529
31 2 -53 0.0793
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
C13 Au1 N1 174.8(3) . . ?
C33 Au2 N6 174.0(3) . . ?
C69 Au3 N7 174.5(3) . . ?
C89 Au4 N12 175.1(3) . . ?
C125 Au5 N13 173.8(3) . . ?
C1 N1 Au1 122.5(5) . . ?
C12 N1 Au1 128.6(5) . . ?
C12 N1 C1 106.2(6) . . ?
C13 N2 C14 110.6(7) . . ?
C13 N2 C16 124.3(7) . . ?
C14 N2 C16 125.0(7) . . ?
C13 N3 C15 110.8(7) . . ?
C13 N3 C25 124.2(7) . . ?
C15 N3 C25 124.9(7) . . ?
C33 N4 C32 123.8(7) . . ?
C33 N4 C34 111.1(7) . . ?
C34 N4 C32 125.0(7) . . ?
C33 N5 C35 110.0(7) . . ?
C33 N5 C36 124.0(7) . . ?
C35 N5 C36 125.9(7) . . ?
C45 N6 Au2 120.1(5) . . ?
C56 N6 Au2 131.2(6) . . ?
C56 N6 C45 105.7(7) . . ?
C57 N7 Au3 123.4(5) . . ?
C68 N7 Au3 128.8(5) . . ?
C68 N7 C57 106.8(7) . . ?
C69 N8 C70 110.5(7) . . ?
C69 N8 C72 123.4(7) . . ?
C70 N8 C72 125.5(7) . . ?
C69 N9 C71 110.2(7) . . ?
C69 N9 C81 123.4(7) . . ?
C71 N9 C81 126.0(7) . . ?
C89 N10 C88 125.1(7) . . ?
C89 N10 C90 110.5(7) . . ?
C90 N10 C88 124.4(7) . . ?
C89 N11 C91 109.3(8) . . ?
C89 N11 C92 124.8(7) . . ?
C91 N11 C92 125.9(7) . . ?
C101 N12 Au4 120.2(6) . . ?
C112 N12 Au4 129.6(6) . . ?
C112 N12 C101 106.8(7) . . ?
C113 N13 Au5 123.3(5) . . ?
C124 N13 Au5 129.3(5) . . ?
C124 N13 C113 106.1(6) . . ?
C125 N14 C126 111.8(7) . . ?
C125 N14 C128 124.0(6) . . ?
C126 N14 C128 124.1(7) . . ?
C125 N15 C127 110.6(7) . . ?
C125 N15 C137 124.9(7) . . ?
C127 N15 C137 124.2(7) . . ?
N1 C1 C2 129.2(7) . . ?
N1 C1 C6 110.7(7) . . ?
C2 C1 C6 120.1(8) . . ?
C1 C2 H2 120.2 . . ?
C3 C2 C1 119.5(8) . . ?
C3 C2 H2 120.2 . . ?
C2 C3 H3 119.1 . . ?
C2 C3 C4 121.7(8) . . ?
C4 C3 H3 119.1 . . ?
C3 C4 H4 120.4 . . ?
C5 C4 C3 119.3(8) . . ?
C5 C4 H4 120.4 . . ?
C4 C5 H5 119.5 . . ?
C4 C5 C6 121.0(8) . . ?
C6 C5 H5 119.5 . . ?
C5 C6 C1 118.4(8) . . ?
C5 C6 C7 135.7(8) . . ?
C7 C6 C1 105.9(7) . . ?
C8 C7 C6 134.4(8) . . ?
C8 C7 C12 119.7(8) . . ?
C12 C7 C6 105.9(7) . . ?
C7 C8 H8 120.6 . . ?
C9 C8 C7 118.7(8) . . ?
C9 C8 H8 120.6 . . ?
C8 C9 H9 119.1 . . ?
C8 C9 C10 121.8(8) . . ?
C10 C9 H9 119.1 . . ?
C9 C10 H10 119.6 . . ?
C11 C10 C9 120.7(9) . . ?
C11 C10 H10 119.6 . . ?
C10 C11 H11 120.9 . . ?
C10 C11 C12 118.2(8) . . ?
C12 C11 H11 120.9 . . ?
N1 C12 C7 111.3(7) . . ?
N1 C12 C11 127.8(7) . . ?
C11 C12 C7 120.9(7) . . ?
N2 C13 Au1 126.1(6) . . ?
N2 C13 N3 104.6(7) . . ?
N3 C13 Au1 129.2(6) . . ?
N2 C14 H14 126.7 . . ?
C15 C14 N2 106.6(8) . . ?
C15 C14 H14 126.7 . . ?
N3 C15 H15 126.3 . . ?
C14 C15 N3 107.5(8) . . ?
C14 C15 H15 126.3 . . ?
C17 C16 N2 119.1(7) . . ?
C21 C16 N2 119.2(7) . . ?
C21 C16 C17 121.6(8) . . ?
C16 C17 C22 121.8(8) . . ?
C18 C17 C16 118.1(8) . . ?
C18 C17 C22 120.1(8) . . ?
C17 C18 H18 118.9 . . ?
C17 C18 C19 122.2(8) . . ?
C19 C18 H18 118.9 . . ?
C18 C19 C23 120.6(8) . . ?
C20 C19 C18 117.3(8) . . ?
C20 C19 C23 122.1(8) . . ?
C19 C20 H20 118.6 . . ?
C19 C20 C21 122.8(8) . . ?
C21 C20 H20 118.6 . . ?
C16 C21 C20 117.9(8) . . ?
C16 C21 C24 121.1(8) . . ?
C20 C21 C24 120.9(8) . . ?
C17 C22 H22A 109.5 . . ?
C17 C22 H22B 109.5 . . ?
C17 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C19 C23 H23A 109.5 . . ?
C19 C23 H23B 109.5 . . ?
C19 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24B 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
N3 C25 H25A 109.2 . . ?
N3 C25 H25B 109.2 . . ?
N3 C25 C26 112.2(6) . . ?
H25A C25 H25B 107.9 . . ?
C26 C25 H25A 109.2 . . ?
C26 C25 H25B 109.2 . . ?
C27 C26 C25 120.6(7) . . ?
C31 C26 C25 119.4(7) . . ?
C31 C26 C27 119.9(7) . . ?
C26 C27 H27 119.5 . . ?
C28 C27 C26 121.0(7) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 C32 122.7(7) . . ?
C29 C28 C27 118.4(7) . . ?
C29 C28 C32 118.8(7) . . ?
C28 C29 H29 119.3 . . ?
C28 C29 C30 121.3(8) . . ?
C30 C29 H29 119.3 . . ?
C29 C30 H30 120.0 . . ?
C29 C30 C31 120.1(8) . . ?
C31 C30 H30 120.0 . . ?
C26 C31 C30 119.3(8) . . ?
C26 C31 H31 120.4 . . ?
C30 C31 H31 120.4 . . ?
N4 C32 C28 115.4(7) . . ?
N4 C32 H32A 108.4 . . ?
N4 C32 H32B 108.4 . . ?
C28 C32 H32A 108.4 . . ?
C28 C32 H32B 108.4 . . ?
H32A C32 H32B 107.5 . . ?
N4 C33 Au2 130.3(6) . . ?
N4 C33 N5 104.8(7) . . ?
N5 C33 Au2 124.8(6) . . ?
N4 C34 H34 126.7 . . ?
C35 C34 N4 106.7(8) . . ?
C35 C34 H34 126.7 . . ?
N5 C35 H35 126.3 . . ?
C34 C35 N5 107.4(8) . . ?
C34 C35 H35 126.3 . . ?
C37 C36 N5 118.7(7) . . ?
C37 C36 C41 122.7(8) . . ?
C41 C36 N5 118.5(8) . . ?
C36 C37 C42 122.3(8) . . ?
C38 C37 C36 116.4(8) . . ?
C38 C37 C42 121.3(8) . . ?
C37 C38 H38 118.2 . . ?
C37 C38 C39 123.6(9) . . ?
C39 C38 H38 118.2 . . ?
C38 C39 C43 121.6(9) . . ?
C40 C39 C38 117.0(8) . . ?
C40 C39 C43 121.3(8) . . ?
C39 C40 H40 118.8 . . ?
C41 C40 C39 122.3(8) . . ?
C41 C40 H40 118.8 . . ?
C36 C41 C44 122.2(8) . . ?
C40 C41 C36 117.8(8) . . ?
C40 C41 C44 120.0(8) . . ?
C37 C42 H42A 109.5 . . ?
C37 C42 H42B 109.5 . . ?
C37 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C39 C43 H43A 109.5 . . ?
C39 C43 H43B 109.5 . . ?
C39 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C41 C44 H44A 109.5 . . ?
C41 C44 H44B 109.5 . . ?
C41 C44 H44C 109.5 . . ?
H44A C44 H44B 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
N6 C45 C46 127.6(8) . . ?
N6 C45 C50 111.5(7) . . ?
C46 C45 C50 120.9(8) . . ?
C45 C46 H46 120.9 . . ?
C47 C46 C45 118.1(8) . . ?
C47 C46 H46 120.9 . . ?
C46 C47 H47 119.2 . . ?
C46 C47 C48 121.6(9) . . ?
C48 C47 H47 119.2 . . ?
C47 C48 H48 119.8 . . ?
C49 C48 C47 120.5(9) . . ?
C49 C48 H48 119.8 . . ?
C48 C49 H49 120.5 . . ?
C48 C49 C50 119.0(8) . . ?
C50 C49 H49 120.5 . . ?
C45 C50 C49 119.8(8) . . ?
C45 C50 C51 105.4(7) . . ?
C49 C50 C51 134.7(8) . . ?
C52 C51 C50 133.8(9) . . ?
C56 C51 C50 106.3(7) . . ?
C56 C51 C52 119.8(9) . . ?
C51 C52 H52 120.6 . . ?
C53 C52 C51 118.8(10) . . ?
C53 C52 H52 120.6 . . ?
C52 C53 H53 119.2 . . ?
C52 C53 C54 121.5(9) . . ?
C54 C53 H53 119.2 . . ?
C53 C54 H54 119.5 . . ?
C55 C54 C53 120.9(10) . . ?
C55 C54 H54 119.5 . . ?
C54 C55 H55 121.0 . . ?
C54 C55 C56 118.0(9) . . ?
C56 C55 H55 121.0 . . ?
N6 C56 C51 111.1(8) . . ?
N6 C56 C55 128.0(8) . . ?
C55 C56 C51 120.8(8) . . ?
N7 C57 C58 128.6(7) . . ?
N7 C57 C62 111.5(7) . . ?
C58 C57 C62 119.9(7) . . ?
C57 C58 H58 120.9 . . ?
C59 C58 C57 118.3(8) . . ?
C59 C58 H58 120.9 . . ?
C58 C59 H59 118.9 . . ?
C58 C59 C60 122.2(9) . . ?
C60 C59 H59 118.9 . . ?
C59 C60 H60 120.3 . . ?
C61 C60 C59 119.5(8) . . ?
C61 C60 H60 120.3 . . ?
C60 C61 H61 119.6 . . ?
C60 C61 C62 120.9(8) . . ?
C62 C61 H61 119.6 . . ?
C57 C62 C63 104.4(7) . . ?
C61 C62 C57 119.3(8) . . ?
C61 C62 C63 136.2(8) . . ?
C64 C63 C62 133.5(8) . . ?
C64 C63 C68 120.5(8) . . ?
C68 C63 C62 105.9(7) . . ?
C63 C64 H64 120.5 . . ?
C65 C64 C63 119.1(9) . . ?
C65 C64 H64 120.5 . . ?
C64 C65 H65 119.7 . . ?
C66 C65 C64 120.6(10) . . ?
C66 C65 H65 119.7 . . ?
C65 C66 H66 119.4 . . ?
C65 C66 C67 121.1(10) . . ?
C67 C66 H66 119.4 . . ?
C66 C67 H67 119.8 . . ?
C66 C67 C68 120.4(9) . . ?
C68 C67 H67 119.8 . . ?
N7 C68 C63 111.3(7) . . ?
N7 C68 C67 130.4(8) . . ?
C67 C68 C63 118.3(8) . . ?
N8 C69 Au3 123.3(5) . . ?
N9 C69 Au3 131.7(6) . . ?
N9 C69 N8 104.8(6) . . ?
N8 C70 H70 127.0 . . ?
C71 C70 N8 106.1(8) . . ?
C71 C70 H70 127.0 . . ?
N9 C71 H71 125.8 . . ?
C70 C71 N9 108.4(8) . . ?
C70 C71 H71 125.8 . . ?
C73 C72 N8 117.8(7) . . ?
C77 C72 N8 120.1(7) . . ?
C77 C72 C73 122.1(7) . . ?
C72 C73 C78 121.2(8) . . ?
C74 C73 C72 117.0(8) . . ?
C74 C73 C78 121.8(8) . . ?
C73 C74 H74 118.4 . . ?
C75 C74 C73 123.1(8) . . ?
C75 C74 H74 118.4 . . ?
C74 C75 C76 118.1(8) . . ?
C74 C75 C79 121.1(7) . . ?
C76 C75 C79 120.8(8) . . ?
C75 C76 H76 118.9 . . ?
C75 C76 C77 122.2(8) . . ?
C77 C76 H76 118.9 . . ?
C72 C77 C76 117.4(7) . . ?
C72 C77 C80 121.0(8) . . ?
C76 C77 C80 121.6(8) . . ?
C73 C78 H78A 109.5 . . ?
C73 C78 H78B 109.5 . . ?
C73 C78 H78C 109.5 . . ?
H78A C78 H78B 109.5 . . ?
H78A C78 H78C 109.5 . . ?
H78B C78 H78C 109.5 . . ?
C75 C79 H79A 109.5 . . ?
C75 C79 H79B 109.5 . . ?
C75 C79 H79C 109.5 . . ?
H79A C79 H79B 109.5 . . ?
H79A C79 H79C 109.5 . . ?
H79B C79 H79C 109.5 . . ?
C77 C80 H80A 109.5 . . ?
C77 C80 H80B 109.5 . . ?
C77 C80 H80C 109.5 . . ?
H80A C80 H80B 109.5 . . ?
H80A C80 H80C 109.5 . . ?
H80B C80 H80C 109.5 . . ?
N9 C81 H81A 108.4 . . ?
N9 C81 H81B 108.4 . . ?
N9 C81 C82 115.5(7) . . ?
H81A C81 H81B 107.5 . . ?
C82 C81 H81A 108.4 . . ?
C82 C81 H81B 108.4 . . ?
C83 C82 C81 123.0(7) . . ?
C83 C82 C87 118.9(7) . . ?
C87 C82 C81 118.1(7) . . ?
C82 C83 H83 119.8 . . ?
C82 C83 C84 120.3(7) . . ?
C84 C83 H83 119.8 . . ?
C83 C84 C88 119.5(7) . . ?
C85 C84 C83 120.4(7) . . ?
C85 C84 C88 120.1(7) . . ?
C84 C85 H85 120.4 . . ?
C84 C85 C86 119.1(8) . . ?
C86 C85 H85 120.4 . . ?
C85 C86 H86 119.3 . . ?
C87 C86 C85 121.3(8) . . ?
C87 C86 H86 119.3 . . ?
C82 C87 H87 120.0 . . ?
C86 C87 C82 119.9(8) . . ?
C86 C87 H87 120.0 . . ?
N10 C88 C84 113.9(7) . . ?
N10 C88 H88A 108.8 . . ?
N10 C88 H88B 108.8 . . ?
C84 C88 H88A 108.8 . . ?
C84 C88 H88B 108.8 . . ?
H88A C88 H88B 107.7 . . ?
N10 C89 Au4 128.2(6) . . ?
N10 C89 N11 105.7(7) . . ?
N11 C89 Au4 126.1(6) . . ?
N10 C90 H90 126.8 . . ?
C91 C90 N10 106.5(8) . . ?
C91 C90 H90 126.8 . . ?
N11 C91 H91 126.0 . . ?
C90 C91 N11 108.1(8) . . ?
C90 C91 H91 126.0 . . ?
C93 C92 N11 118.2(8) . . ?
C97 C92 N11 119.8(8) . . ?
C97 C92 C93 122.0(8) . . ?
C92 C93 C98 121.0(8) . . ?
C94 C93 C92 117.4(8) . . ?
C94 C93 C98 121.6(8) . . ?
C93 C94 H94 119.0 . . ?
C93 C94 C95 122.0(8) . . ?
C95 C94 H94 119.0 . . ?
C94 C95 C96 118.2(8) . . ?
C94 C95 C99 120.5(8) . . ?
C96 C95 C99 121.3(8) . . ?
C95 C96 H96 118.7 . . ?
C97 C96 C95 122.5(8) . . ?
C97 C96 H96 118.7 . . ?
C92 C97 C100 121.4(8) . . ?
C96 C97 C92 117.9(8) . . ?
C96 C97 C100 120.7(8) . . ?
C93 C98 H98A 109.5 . . ?
C93 C98 H98B 109.5 . . ?
C93 C98 H98C 109.5 . . ?
H98A C98 H98B 109.5 . . ?
H98A C98 H98C 109.5 . . ?
H98B C98 H98C 109.5 . . ?
C95 C99 H99A 109.5 . . ?
C95 C99 H99B 109.5 . . ?
C95 C99 H99C 109.5 . . ?
H99A C99 H99B 109.5 . . ?
H99A C99 H99C 109.5 . . ?
H99B C99 H99C 109.5 . . ?
C97 C100 H10A 109.5 . . ?
C97 C100 H10B 109.5 . . ?
C97 C100 H10C 109.5 . . ?
H10A C100 H10B 109.5 . . ?
H10A C100 H10C 109.5 . . ?
H10B C100 H10C 109.5 . . ?
N12 C101 C102 128.3(8) . . ?
N12 C101 C106 111.2(8) . . ?
C102 C101 C106 120.5(8) . . ?
C101 C102 H102 120.9 . . ?
C103 C102 C101 118.2(10) . . ?
C103 C102 H102 120.9 . . ?
C102 C103 H103 119.3 . . ?
C102 C103 C104 121.4(11) . . ?
C104 C103 H103 119.3 . . ?
C103 C104 H104 119.4 . . ?
C105 C104 C103 121.3(10) . . ?
C105 C104 H104 119.4 . . ?
C104 C105 H105 120.3 . . ?
C104 C105 C106 119.3(10) . . ?
C106 C105 H105 120.3 . . ?
C101 C106 C107 104.8(8) . . ?
C105 C106 C101 119.2(9) . . ?
C105 C106 C107 136.0(10) . . ?
C108 C107 C106 134.9(9) . . ?
C108 C107 C112 118.4(9) . . ?
C112 C107 C106 106.7(8) . . ?
C107 C108 H108 120.0 . . ?
C109 C108 C107 120.0(10) . . ?
C109 C108 H108 120.0 . . ?
C108 C109 H109 119.2 . . ?
C108 C109 C110 121.6(10) . . ?
C110 C109 H109 119.2 . . ?
C109 C110 H110 119.5 . . ?
C109 C110 C111 120.9(10) . . ?
C111 C110 H110 119.5 . . ?
C110 C111 H111 121.2 . . ?
C110 C111 C112 117.6(9) . . ?
C112 C111 H111 121.2 . . ?
N12 C112 C107 110.4(8) . . ?
N12 C112 C111 128.1(8) . . ?
C111 C112 C107 121.5(8) . . ?
N13 C113 C114 126.5(7) . . ?
N13 C113 C118 112.0(7) . . ?
C114 C113 C118 121.5(7) . . ?
C113 C114 H114 120.8 . . ?
C115 C114 C113 118.3(8) . . ?
C115 C114 H114 120.8 . . ?
C114 C115 H115 119.9 . . ?
C114 C115 C116 120.2(8) . . ?
C116 C115 H115 119.9 . . ?
C115 C116 H116 119.1 . . ?
C117 C116 C115 121.9(8) . . ?
C117 C116 H116 119.1 . . ?
C116 C117 H117 120.6 . . ?
C116 C117 C118 118.8(8) . . ?
C118 C117 H117 120.6 . . ?
C113 C118 C117 119.3(8) . . ?
C113 C118 C119 105.6(7) . . ?
C117 C118 C119 135.0(8) . . ?
C120 C119 C118 134.6(8) . . ?
C120 C119 C124 119.8(8) . . ?
C124 C119 C118 105.5(7) . . ?
C119 C120 H120 120.6 . . ?
C121 C120 C119 118.8(8) . . ?
C121 C120 H120 120.6 . . ?
C120 C121 H121 119.1 . . ?
C120 C121 C122 121.9(9) . . ?
C122 C121 H121 119.1 . . ?
C121 C122 H122 119.7 . . ?
C123 C122 C121 120.6(8) . . ?
C123 C122 H122 119.7 . . ?
C122 C123 H123 120.5 . . ?
C122 C123 C124 119.0(8) . . ?
C124 C123 H123 120.5 . . ?
N13 C124 C119 110.8(7) . . ?
N13 C124 C123 129.4(8) . . ?
C123 C124 C119 119.9(8) . . ?
N14 C125 Au5 124.5(6) . . ?
N14 C125 N15 105.2(6) . . ?
N15 C125 Au5 130.4(6) . . ?
N14 C126 H126 127.5 . . ?
C127 C126 N14 105.1(8) . . ?
C127 C126 H126 127.5 . . ?
N15 C127 C126 107.4(8) . . ?
N15 C127 H127 126.3 . . ?
C126 C127 H127 126.3 . . ?
C129 C128 N14 120.3(7) . . ?
C129 C128 C133 122.0(7) . . ?
C133 C128 N14 117.7(7) . . ?
C128 C129 C134 120.6(8) . . ?
C130 C129 C128 117.3(7) . . ?
C130 C129 C134 122.1(8) . . ?
C129 C130 H130 118.8 . . ?
C131 C130 C129 122.5(8) . . ?
C131 C130 H130 118.8 . . ?
C130 C131 C132 118.1(8) . . ?
C130 C131 C135 120.6(8) . . ?
C132 C131 C135 121.2(8) . . ?
C131 C132 H132 118.6 . . ?
C133 C132 C131 122.8(8) . . ?
C133 C132 H132 118.6 . . ?
C128 C133 C136 121.6(8) . . ?
C132 C133 C128 117.1(8) . . ?
C132 C133 C136 121.4(8) . . ?
C129 C134 H13A 109.5 . . ?
C129 C134 H13B 109.5 . . ?
C129 C134 H13C 109.5 . . ?
H13A C134 H13B 109.5 . . ?
H13A C134 H13C 109.5 . . ?
H13B C134 H13C 109.5 . . ?
C131 C135 H13D 109.5 . . ?
C131 C135 H13E 109.5 . . ?
C131 C135 H13F 109.5 . . ?
H13D C135 H13E 109.5 . . ?
H13D C135 H13F 109.5 . . ?
H13E C135 H13F 109.5 . . ?
C133 C136 H13G 109.5 . . ?
C133 C136 H13H 109.5 . . ?
C133 C136 H13I 109.5 . . ?
H13G C136 H13H 109.5 . . ?
H13G C136 H13I 109.5 . . ?
H13H C136 H13I 109.5 . . ?
N15 C137 H13J 108.2 . . ?
N15 C137 H13K 108.2 . . ?
N15 C137 C138 116.4(7) . . ?
H13J C137 H13K 107.3 . . ?
C138 C137 H13J 108.2 . . ?
C138 C137 H13K 108.2 . . ?
C139 C138 C137 122.1(7) . . ?
C141 C138 C137 117.8(7) . . ?
C141 C138 C139 119.8(8) . . ?
C138 C139 C138 119.8(10) . 2 ?
C138 C139 H139 120.1 . . ?
C138 C139 H139 120.1 2 . ?
C141 C140 H140 119.6 . . ?
C141 C140 H140 119.6 2 . ?
C141 C140 C141 120.9(11) 2 . ?
C138 C141 H141 120.1 . . ?
C140 C141 C138 119.9(8) . . ?
C140 C141 H141 120.1 . . ?
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 N1 2.017(6) . ?
Au1 C13 1.974(8) . ?
Au2 N6 2.020(7) . ?
Au2 C33 1.981(8) . ?
Au3 N7 2.004(6) . ?
Au3 C69 1.970(7) . ?
Au4 N12 2.027(7) . ?
Au4 C89 1.972(8) . ?
Au5 N13 2.017(6) . ?
Au5 C125 1.974(7) . ?
N1 C1 1.388(10) . ?
N1 C12 1.383(10) . ?
N2 C13 1.347(10) . ?
N2 C14 1.396(10) . ?
N2 C16 1.443(10) . ?
N3 C13 1.355(10) . ?
N3 C15 1.375(11) . ?
N3 C25 1.472(10) . ?
N4 C32 1.462(11) . ?
N4 C33 1.347(10) . ?
N4 C34 1.379(11) . ?
N5 C33 1.348(10) . ?
N5 C35 1.389(10) . ?
N5 C36 1.444(10) . ?
N6 C45 1.387(10) . ?
N6 C56 1.376(10) . ?
N7 C57 1.382(10) . ?
N7 C68 1.346(10) . ?
N8 C69 1.349(10) . ?
N8 C70 1.387(10) . ?
N8 C72 1.435(10) . ?
N9 C69 1.348(10) . ?
N9 C71 1.364(11) . ?
N9 C81 1.457(10) . ?
N10 C88 1.462(11) . ?
N10 C89 1.349(10) . ?
N10 C90 1.386(11) . ?
N11 C89 1.351(11) . ?
N11 C91 1.388(11) . ?
N11 C92 1.444(11) . ?
N12 C101 1.379(10) . ?
N12 C112 1.368(11) . ?
N13 C113 1.380(10) . ?
N13 C124 1.373(10) . ?
N14 C125 1.332(10) . ?
N14 C126 1.388(10) . ?
N14 C128 1.445(10) . ?
N15 C125 1.359(10) . ?
N15 C127 1.366(11) . ?
N15 C137 1.456(10) . ?
C1 C2 1.401(12) . ?
C1 C6 1.434(11) . ?
C2 H2 0.9500 . ?
C2 C3 1.354(12) . ?
C3 H3 0.9500 . ?
C3 C4 1.414(12) . ?
C4 H4 0.9500 . ?
C4 C5 1.379(12) . ?
C5 H5 0.9500 . ?
C5 C6 1.395(11) . ?
C6 C7 1.431(12) . ?
C7 C8 1.392(11) . ?
C7 C12 1.425(11) . ?
C8 H8 0.9500 . ?
C8 C9 1.388(12) . ?
C9 H9 0.9500 . ?
C9 C10 1.399(12) . ?
C10 H10 0.9500 . ?
C10 C11 1.383(12) . ?
C11 H11 0.9500 . ?
C11 C12 1.409(11) . ?
C14 H14 0.9500 . ?
C14 C15 1.326(13) . ?
C15 H15 0.9500 . ?
C16 C17 1.393(11) . ?
C16 C21 1.385(12) . ?
C17 C18 1.378(12) . ?
C17 C22 1.506(12) . ?
C18 H18 0.9500 . ?
C18 C19 1.398(12) . ?
C19 C20 1.374(12) . ?
C19 C23 1.495(12) . ?
C20 H20 0.9500 . ?
C20 C21 1.387(12) . ?
C21 C24 1.526(12) . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C25 C26 1.503(10) . ?
C26 C27 1.394(10) . ?
C26 C31 1.385(11) . ?
C27 H27 0.9500 . ?
C27 C28 1.390(10) . ?
C28 C29 1.382(12) . ?
C28 C32 1.504(11) . ?
C29 H29 0.9500 . ?
C29 C30 1.383(12) . ?
C30 H30 0.9500 . ?
C30 C31 1.397(12) . ?
C31 H31 0.9500 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C34 H34 0.9500 . ?
C34 C35 1.324(13) . ?
C35 H35 0.9500 . ?
C36 C37 1.391(12) . ?
C36 C41 1.399(11) . ?
C37 C38 1.386(12) . ?
C37 C42 1.512(11) . ?
C38 H38 0.9500 . ?
C38 C39 1.396(12) . ?
C39 C40 1.390(13) . ?
C39 C43 1.502(13) . ?
C40 H40 0.9500 . ?
C40 C41 1.383(12) . ?
C41 C44 1.504(13) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 C46 1.402(12) . ?
C45 C50 1.406(11) . ?
C46 H46 0.9500 . ?
C46 C47 1.379(12) . ?
C47 H47 0.9500 . ?
C47 C48 1.403(13) . ?
C48 H48 0.9500 . ?
C48 C49 1.381(13) . ?
C49 H49 0.9500 . ?
C49 C50 1.408(12) . ?
C50 C51 1.431(12) . ?
C51 C52 1.412(12) . ?
C51 C56 1.410(12) . ?
C52 H52 0.9500 . ?
C52 C53 1.362(14) . ?
C53 H53 0.9500 . ?
C53 C54 1.410(15) . ?
C54 H54 0.9500 . ?
C54 C55 1.384(13) . ?
C55 H55 0.9500 . ?
C55 C56 1.407(12) . ?
C57 C58 1.402(12) . ?
C57 C62 1.428(11) . ?
C58 H58 0.9500 . ?
C58 C59 1.370(12) . ?
C59 H59 0.9500 . ?
C59 C60 1.403(13) . ?
C60 H60 0.9500 . ?
C60 C61 1.363(12) . ?
C61 H61 0.9500 . ?
C61 C62 1.384(11) . ?
C62 C63 1.439(12) . ?
C63 C64 1.400(12) . ?
C63 C68 1.434(11) . ?
C64 H64 0.9500 . ?
C64 C65 1.397(14) . ?
C65 H65 0.9500 . ?
C65 C66 1.382(14) . ?
C66 H66 0.9500 . ?
C66 C67 1.386(13) . ?
C67 H67 0.9500 . ?
C67 C68 1.398(11) . ?
C70 H70 0.9500 . ?
C70 C71 1.321(13) . ?
C71 H71 0.9500 . ?
C72 C73 1.415(11) . ?
C72 C77 1.393(12) . ?
C73 C74 1.391(11) . ?
C73 C78 1.513(12) . ?
C74 H74 0.9500 . ?
C74 C75 1.381(12) . ?
C75 C76 1.385(11) . ?
C75 C79 1.497(11) . ?
C76 H76 0.9500 . ?
C76 C77 1.410(11) . ?
C77 C80 1.497(11) . ?
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 H80A 0.9800 . ?
C80 H80B 0.9800 . ?
C80 H80C 0.9800 . ?
C81 H81A 0.9900 . ?
C81 H81B 0.9900 . ?
C81 C82 1.514(11) . ?
C82 C83 1.374(11) . ?
C82 C87 1.395(11) . ?
C83 H83 0.9500 . ?
C83 C84 1.393(10) . ?
C84 C85 1.371(11) . ?
C84 C88 1.514(11) . ?
C85 H85 0.9500 . ?
C85 C86 1.374(12) . ?
C86 H86 0.9500 . ?
C86 C87 1.369(12) . ?
C87 H87 0.9500 . ?
C88 H88A 0.9900 . ?
C88 H88B 0.9900 . ?
C90 H90 0.9500 . ?
C90 C91 1.327(13) . ?
C91 H91 0.9500 . ?
C92 C93 1.413(12) . ?
C92 C97 1.393(11) . ?
C93 C94 1.383(12) . ?
C93 C98 1.508(12) . ?
C94 H94 0.9500 . ?
C94 C95 1.391(11) . ?
C95 C96 1.393(12) . ?
C95 C99 1.500(12) . ?
C96 H96 0.9500 . ?
C96 C97 1.368(12) . ?
C97 C100 1.513(12) . ?
C98 H98A 0.9800 . ?
C98 H98B 0.9800 . ?
C98 H98C 0.9800 . ?
C99 H99A 0.9800 . ?
C99 H99B 0.9800 . ?
C99 H99C 0.9800 . ?
C100 H10A 0.9800 . ?
C100 H10B 0.9800 . ?
C100 H10C 0.9800 . ?
C101 C102 1.407(13) . ?
C101 C106 1.421(12) . ?
C102 H102 0.9500 . ?
C102 C103 1.357(13) . ?
C103 H103 0.9500 . ?
C103 C104 1.400(16) . ?
C104 H104 0.9500 . ?
C104 C105 1.361(16) . ?
C105 H105 0.9500 . ?
C105 C106 1.392(13) . ?
C106 C107 1.432(13) . ?
C107 C108 1.413(13) . ?
C107 C112 1.420(12) . ?
C108 H108 0.9500 . ?
C108 C109 1.361(15) . ?
C109 H109 0.9500 . ?
C109 C110 1.394(15) . ?
C110 H110 0.9500 . ?
C110 C111 1.401(13) . ?
C111 H111 0.9500 . ?
C111 C112 1.406(12) . ?
C113 C114 1.404(11) . ?
C113 C118 1.404(11) . ?
C114 H114 0.9500 . ?
C114 C115 1.387(12) . ?
C115 H115 0.9500 . ?
C115 C116 1.410(12) . ?
C116 H116 0.9500 . ?
C116 C117 1.368(12) . ?
C117 H117 0.9500 . ?
C117 C118 1.416(11) . ?
C118 C119 1.437(11) . ?
C119 C120 1.394(11) . ?
C119 C124 1.434(11) . ?
C120 H120 0.9500 . ?
C120 C121 1.381(13) . ?
C121 H121 0.9500 . ?
C121 C122 1.389(13) . ?
C122 H122 0.9500 . ?
C122 C123 1.386(12) . ?
C123 H123 0.9500 . ?
C123 C124 1.398(11) . ?
C126 H126 0.9500 . ?
C126 C127 1.367(13) . ?
C127 H127 0.9500 . ?
C128 C129 1.397(12) . ?
C128 C133 1.420(11) . ?
C129 C130 1.393(12) . ?
C129 C134 1.508(11) . ?
C130 H130 0.9500 . ?
C130 C131 1.385(11) . ?
C131 C132 1.389(12) . ?
C131 C135 1.505(11) . ?
C132 H132 0.9500 . ?
C132 C133 1.379(11) . ?
C133 C136 1.498(12) . ?
C134 H13A 0.9800 . ?
C134 H13B 0.9800 . ?
C134 H13C 0.9800 . ?
C135 H13D 0.9800 . ?
C135 H13E 0.9800 . ?
C135 H13F 0.9800 . ?
C136 H13G 0.9800 . ?
C136 H13H 0.9800 . ?
C136 H13I 0.9800 . ?
C137 H13J 0.9900 . ?
C137 H13K 0.9900 . ?
C137 C138 1.514(11) . ?
C138 C139 1.389(9) . ?
C138 C141 1.385(11) . ?
C139 H139 0.9500 . ?
C140 H140 0.9500 . ?
C140 C141 1.373(10) . ?
C140 C141 1.373(10) 2 ?
C141 H141 0.9500 . ?
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
Au1 N1 C1 C2 16.5(11) . . . . ?
Au1 N1 C1 C6 -162.8(5) . . . . ?
Au1 N1 C12 C7 161.7(5) . . . . ?
Au1 N1 C12 C11 -19.2(11) . . . . ?
Au2 N6 C45 C46 16.4(10) . . . . ?
Au2 N6 C45 C50 -162.0(5) . . . . ?
Au2 N6 C56 C51 159.2(6) . . . . ?
Au2 N6 C56 C55 -18.1(12) . . . . ?
Au3 N7 C57 C58 -12.3(11) . . . . ?
Au3 N7 C57 C62 167.3(5) . . . . ?
Au3 N7 C68 C63 -167.6(5) . . . . ?
Au3 N7 C68 C67 12.7(12) . . . . ?
Au4 N12 C101 C102 -17.1(11) . . . . ?
Au4 N12 C101 C106 162.5(5) . . . . ?
Au4 N12 C112 C107 -160.3(6) . . . . ?
Au4 N12 C112 C111 20.0(12) . . . . ?
Au5 N13 C113 C114 11.9(10) . . . . ?
Au5 N13 C113 C118 -166.7(5) . . . . ?
Au5 N13 C124 C119 165.9(5) . . . . ?
Au5 N13 C124 C123 -13.1(12) . . . . ?
N1 C1 C2 C3 -178.1(8) . . . . ?
N1 C1 C6 C5 179.0(7) . . . . ?
N1 C1 C6 C7 -0.3(9) . . . . ?
N2 C14 C15 N3 -0.2(10) . . . . ?
N2 C16 C17 C18 -175.4(7) . . . . ?
N2 C16 C17 C22 5.7(12) . . . . ?
N2 C16 C21 C20 175.0(7) . . . . ?
N2 C16 C21 C24 -8.0(12) . . . . ?
N3 C25 C26 C27 -52.3(10) . . . . ?
N3 C25 C26 C31 128.8(8) . . . . ?
N4 C34 C35 N5 -0.2(10) . . . . ?
N5 C36 C37 C38 177.4(8) . . . . ?
N5 C36 C37 C42 -4.2(13) . . . . ?
N5 C36 C41 C40 -179.0(8) . . . . ?
N5 C36 C41 C44 -0.2(13) . . . . ?
N6 C45 C46 C47 -176.5(8) . . . . ?
N6 C45 C50 C49 177.1(7) . . . . ?
N6 C45 C50 C51 -0.2(9) . . . . ?
N7 C57 C58 C59 -179.8(8) . . . . ?
N7 C57 C62 C61 179.9(7) . . . . ?
N7 C57 C62 C63 2.2(8) . . . . ?
N8 C70 C71 N9 -1.3(11) . . . . ?
N8 C72 C73 C74 177.3(7) . . . . ?
N8 C72 C73 C78 -2.0(12) . . . . ?
N8 C72 C77 C76 -176.4(7) . . . . ?
N8 C72 C77 C80 5.7(11) . . . . ?
N9 C81 C82 C83 10.0(11) . . . . ?
N9 C81 C82 C87 -170.9(7) . . . . ?
N10 C90 C91 N11 0.5(10) . . . . ?
N11 C92 C93 C94 -177.3(7) . . . . ?
N11 C92 C93 C98 1.9(12) . . . . ?
N11 C92 C97 C96 178.0(7) . . . . ?
N11 C92 C97 C100 -1.8(12) . . . . ?
N12 C101 C102 C103 178.2(8) . . . . ?
N12 C101 C106 C105 -178.8(8) . . . . ?
N12 C101 C106 C107 -0.5(9) . . . . ?
N13 C113 C114 C115 -179.2(7) . . . . ?
N13 C113 C118 C117 179.9(7) . . . . ?
N13 C113 C118 C119 -0.8(9) . . . . ?
N14 C126 C127 N15 0.5(11) . . . . ?
N14 C128 C129 C130 175.0(7) . . . . ?
N14 C128 C129 C134 -3.6(12) . . . . ?
N14 C128 C133 C132 -177.2(7) . . . . ?
N14 C128 C133 C136 2.8(12) . . . . ?
N15 C137 C138 C139 -33.2(11) . . . . ?
N15 C137 C138 C141 152.1(7) . . . . ?
C1 N1 C12 C7 0.5(8) . . . . ?
C1 N1 C12 C11 179.6(7) . . . . ?
C1 C2 C3 C4 -1.5(13) . . . . ?
C1 C6 C7 C8 179.5(9) . . . . ?
C1 C6 C7 C12 0.6(8) . . . . ?
C2 C1 C6 C5 -0.3(11) . . . . ?
C2 C1 C6 C7 -179.6(7) . . . . ?
C2 C3 C4 C5 1.2(13) . . . . ?
C3 C4 C5 C6 -0.5(12) . . . . ?
C4 C5 C6 C1 0.1(12) . . . . ?
C4 C5 C6 C7 179.1(9) . . . . ?
C5 C6 C7 C8 0.4(16) . . . . ?
C5 C6 C7 C12 -178.5(9) . . . . ?
C6 C1 C2 C3 1.1(12) . . . . ?
C6 C7 C8 C9 -179.3(8) . . . . ?
C6 C7 C12 N1 -0.7(8) . . . . ?
C6 C7 C12 C11 -179.9(7) . . . . ?
C7 C8 C9 C10 -0.2(12) . . . . ?
C8 C7 C12 N1 -179.8(7) . . . . ?
C8 C7 C12 C11 1.0(11) . . . . ?
C8 C9 C10 C11 0.4(13) . . . . ?
C9 C10 C11 C12 0.1(12) . . . . ?
C10 C11 C12 N1 -179.8(7) . . . . ?
C10 C11 C12 C7 -0.8(11) . . . . ?
C12 N1 C1 C2 179.1(8) . . . . ?
C12 N1 C1 C6 -0.1(8) . . . . ?
C12 C7 C8 C9 -0.5(11) . . . . ?
C13 N2 C14 C15 0.4(10) . . . . ?
C13 N2 C16 C17 71.5(10) . . . . ?
C13 N2 C16 C21 -105.5(9) . . . . ?
C13 N3 C15 C14 0.0(10) . . . . ?
C13 N3 C25 C26 120.7(8) . . . . ?
C14 N2 C13 Au1 176.0(6) . . . . ?
C14 N2 C13 N3 -0.4(8) . . . . ?
C14 N2 C16 C17 -105.1(10) . . . . ?
C14 N2 C16 C21 77.9(10) . . . . ?
C15 N3 C13 Au1 -176.0(6) . . . . ?
C15 N3 C13 N2 0.2(8) . . . . ?
C15 N3 C25 C26 -60.4(10) . . . . ?
C16 N2 C13 Au1 -1.0(11) . . . . ?
C16 N2 C13 N3 -177.4(7) . . . . ?
C16 N2 C14 C15 177.4(8) . . . . ?
C16 C17 C18 C19 0.2(12) . . . . ?
C17 C16 C21 C20 -2.0(12) . . . . ?
C17 C16 C21 C24 175.1(8) . . . . ?
C17 C18 C19 C20 -1.6(12) . . . . ?
C17 C18 C19 C23 -179.7(8) . . . . ?
C18 C19 C20 C21 1.2(13) . . . . ?
C19 C20 C21 C16 0.5(13) . . . . ?
C19 C20 C21 C24 -176.5(8) . . . . ?
C21 C16 C17 C18 1.6(12) . . . . ?
C21 C16 C17 C22 -177.3(8) . . . . ?
C22 C17 C18 C19 179.2(8) . . . . ?
C23 C19 C20 C21 179.3(8) . . . . ?
C25 N3 C13 Au1 3.1(11) . . . . ?
C25 N3 C13 N2 179.3(6) . . . . ?
C25 N3 C15 C14 -179.1(7) . . . . ?
C25 C26 C27 C28 -177.8(7) . . . . ?
C25 C26 C31 C30 177.6(7) . . . . ?
C26 C27 C28 C29 -0.1(12) . . . . ?
C26 C27 C28 C32 -177.6(8) . . . . ?
C27 C26 C31 C30 -1.4(12) . . . . ?
C27 C28 C29 C30 -0.6(12) . . . . ?
C27 C28 C32 N4 -23.4(11) . . . . ?
C28 C29 C30 C31 0.3(13) . . . . ?
C29 C28 C32 N4 159.1(7) . . . . ?
C29 C30 C31 C26 0.7(12) . . . . ?
C31 C26 C27 C28 1.1(12) . . . . ?
C32 N4 C33 Au2 -2.2(11) . . . . ?
C32 N4 C33 N5 177.0(6) . . . . ?
C32 N4 C34 C35 -176.7(7) . . . . ?
C32 C28 C29 C30 177.0(8) . . . . ?
C33 N4 C32 C28 96.5(9) . . . . ?
C33 N4 C34 C35 -0.1(10) . . . . ?
C33 N5 C35 C34 0.4(9) . . . . ?
C33 N5 C36 C37 -96.2(10) . . . . ?
C33 N5 C36 C41 82.6(10) . . . . ?
C34 N4 C32 C28 -87.3(10) . . . . ?
C34 N4 C33 Au2 -178.9(6) . . . . ?
C34 N4 C33 N5 0.3(8) . . . . ?
C35 N5 C33 Au2 178.8(5) . . . . ?
C35 N5 C33 N4 -0.4(8) . . . . ?
C35 N5 C36 C37 87.4(10) . . . . ?
C35 N5 C36 C41 -93.7(10) . . . . ?
C36 N5 C33 Au2 2.0(11) . . . . ?
C36 N5 C33 N4 -177.2(7) . . . . ?
C36 N5 C35 C34 177.1(8) . . . . ?
C36 C37 C38 C39 2.0(13) . . . . ?
C37 C36 C41 C40 -0.1(13) . . . . ?
C37 C36 C41 C44 178.6(8) . . . . ?
C37 C38 C39 C40 -1.0(14) . . . . ?
C37 C38 C39 C43 179.8(9) . . . . ?
C38 C39 C40 C41 -0.7(13) . . . . ?
C39 C40 C41 C36 1.2(13) . . . . ?
C39 C40 C41 C44 -177.6(9) . . . . ?
C41 C36 C37 C38 -1.4(13) . . . . ?
C41 C36 C37 C42 176.9(8) . . . . ?
C42 C37 C38 C39 -176.3(8) . . . . ?
C43 C39 C40 C41 178.5(9) . . . . ?
C45 N6 C56 C51 -0.5(9) . . . . ?
C45 N6 C56 C55 -177.7(8) . . . . ?
C45 C46 C47 C48 0.0(13) . . . . ?
C45 C50 C51 C52 179.2(9) . . . . ?
C45 C50 C51 C56 0.0(8) . . . . ?
C46 C45 C50 C49 -1.4(11) . . . . ?
C46 C45 C50 C51 -178.7(7) . . . . ?
C46 C47 C48 C49 -2.0(14) . . . . ?
C47 C48 C49 C50 2.3(13) . . . . ?
C48 C49 C50 C45 -0.6(12) . . . . ?
C48 C49 C50 C51 175.7(9) . . . . ?
C49 C50 C51 C52 2.4(16) . . . . ?
C49 C50 C51 C56 -176.8(9) . . . . ?
C50 C45 C46 C47 1.7(11) . . . . ?
C50 C51 C52 C53 -178.2(8) . . . . ?
C50 C51 C56 N6 0.3(9) . . . . ?
C50 C51 C56 C55 177.8(7) . . . . ?
C51 C52 C53 C54 -0.6(13) . . . . ?
C52 C51 C56 N6 -179.0(7) . . . . ?
C52 C51 C56 C55 -1.5(12) . . . . ?
C52 C53 C54 C55 0.9(14) . . . . ?
C53 C54 C55 C56 -1.5(13) . . . . ?
C54 C55 C56 N6 178.9(8) . . . . ?
C54 C55 C56 C51 1.8(12) . . . . ?
C56 N6 C45 C46 178.8(8) . . . . ?
C56 N6 C45 C50 0.4(8) . . . . ?
C56 C51 C52 C53 0.9(12) . . . . ?
C57 N7 C68 C63 0.8(8) . . . . ?
C57 N7 C68 C67 -178.9(8) . . . . ?
C57 C58 C59 C60 0.0(13) . . . . ?
C57 C62 C63 C64 177.4(9) . . . . ?
C57 C62 C63 C68 -1.6(8) . . . . ?
C58 C57 C62 C61 -0.6(11) . . . . ?
C58 C57 C62 C63 -178.2(7) . . . . ?
C58 C59 C60 C61 -0.9(13) . . . . ?
C59 C60 C61 C62 1.0(13) . . . . ?
C60 C61 C62 C57 -0.3(12) . . . . ?
C60 C61 C62 C63 176.4(9) . . . . ?
C61 C62 C63 C64 0.3(17) . . . . ?
C61 C62 C63 C68 -178.7(9) . . . . ?
C62 C57 C58 C59 0.7(11) . . . . ?
C62 C63 C64 C65 179.9(9) . . . . ?
C62 C63 C68 N7 0.6(9) . . . . ?
C62 C63 C68 C67 -179.7(7) . . . . ?
C63 C64 C65 C66 0.6(15) . . . . ?
C64 C63 C68 N7 -178.6(7) . . . . ?
C64 C63 C68 C67 1.2(11) . . . . ?
C64 C65 C66 C67 0.2(16) . . . . ?
C65 C66 C67 C68 -0.2(14) . . . . ?
C66 C67 C68 N7 179.3(8) . . . . ?
C66 C67 C68 C63 -0.4(12) . . . . ?
C68 N7 C57 C58 178.6(8) . . . . ?
C68 N7 C57 C62 -1.9(8) . . . . ?
C68 C63 C64 C65 -1.3(13) . . . . ?
C69 N8 C70 C71 1.1(10) . . . . ?
C69 N8 C72 C73 -70.0(10) . . . . ?
C69 N8 C72 C77 109.0(9) . . . . ?
C69 N9 C71 C70 1.1(11) . . . . ?
C69 N9 C81 C82 -100.4(9) . . . . ?
C70 N8 C69 Au3 174.8(6) . . . . ?
C70 N8 C69 N9 -0.4(9) . . . . ?
C70 N8 C72 C73 100.8(10) . . . . ?
C70 N8 C72 C77 -80.2(10) . . . . ?
C71 N9 C69 Au3 -175.1(6) . . . . ?
C71 N9 C69 N8 -0.4(9) . . . . ?
C71 N9 C81 C82 87.3(10) . . . . ?
C72 N8 C69 Au3 -13.2(10) . . . . ?
C72 N8 C69 N9 171.6(7) . . . . ?
C72 N8 C70 C71 -170.7(8) . . . . ?
C72 C73 C74 C75 -0.6(12) . . . . ?
C73 C72 C77 C76 2.6(12) . . . . ?
C73 C72 C77 C80 -175.3(7) . . . . ?
C73 C74 C75 C76 1.9(12) . . . . ?
C73 C74 C75 C79 -179.5(8) . . . . ?
C74 C75 C76 C77 -1.0(12) . . . . ?
C75 C76 C77 C72 -1.2(12) . . . . ?
C75 C76 C77 C80 176.7(7) . . . . ?
C77 C72 C73 C74 -1.7(12) . . . . ?
C77 C72 C73 C78 178.9(8) . . . . ?
C78 C73 C74 C75 178.7(8) . . . . ?
C79 C75 C76 C77 -179.5(7) . . . . ?
C81 N9 C69 Au3 11.5(11) . . . . ?
C81 N9 C69 N8 -173.8(7) . . . . ?
C81 N9 C71 C70 174.3(8) . . . . ?
C81 C82 C83 C84 179.6(7) . . . . ?
C81 C82 C87 C86 -179.3(8) . . . . ?
C82 C83 C84 C85 -1.4(12) . . . . ?
C82 C83 C84 C88 178.8(7) . . . . ?
C83 C82 C87 C86 -0.2(13) . . . . ?
C83 C84 C85 C86 1.8(12) . . . . ?
C83 C84 C88 N10 54.3(10) . . . . ?
C84 C85 C86 C87 -1.5(14) . . . . ?
C85 C84 C88 N10 -125.5(8) . . . . ?
C85 C86 C87 C82 0.7(14) . . . . ?
C87 C82 C83 C84 0.5(12) . . . . ?
C88 N10 C89 Au4 -0.6(11) . . . . ?
C88 N10 C89 N11 -178.8(7) . . . . ?
C88 N10 C90 C91 179.0(7) . . . . ?
C88 C84 C85 C86 -178.3(8) . . . . ?
C89 N10 C88 C84 -102.3(9) . . . . ?
C89 N10 C90 C91 -1.2(10) . . . . ?
C89 N11 C91 C90 0.3(10) . . . . ?
C89 N11 C92 C93 103.8(9) . . . . ?
C89 N11 C92 C97 -76.1(11) . . . . ?
C90 N10 C88 C84 77.4(10) . . . . ?
C90 N10 C89 Au4 179.6(6) . . . . ?
C90 N10 C89 N11 1.4(9) . . . . ?
C91 N11 C89 Au4 -179.3(6) . . . . ?
C91 N11 C89 N10 -1.1(9) . . . . ?
C91 N11 C92 C93 -77.7(11) . . . . ?
C91 N11 C92 C97 102.4(10) . . . . ?
C92 N11 C89 Au4 -0.6(11) . . . . ?
C92 N11 C89 N10 177.6(7) . . . . ?
C92 N11 C91 C90 -178.4(8) . . . . ?
C92 C93 C94 C95 -1.1(13) . . . . ?
C93 C92 C97 C96 -1.9(12) . . . . ?
C93 C92 C97 C100 178.3(8) . . . . ?
C93 C94 C95 C96 -0.8(12) . . . . ?
C93 C94 C95 C99 179.2(8) . . . . ?
C94 C95 C96 C97 1.5(12) . . . . ?
C95 C96 C97 C92 -0.2(13) . . . . ?
C95 C96 C97 C100 179.6(8) . . . . ?
C97 C92 C93 C94 2.5(12) . . . . ?
C97 C92 C93 C98 -178.3(8) . . . . ?
C98 C93 C94 C95 179.7(8) . . . . ?
C99 C95 C96 C97 -178.5(8) . . . . ?
C101 N12 C112 C107 -1.4(9) . . . . ?
C101 N12 C112 C111 178.9(8) . . . . ?
C101 C102 C103 C104 0.5(15) . . . . ?
C101 C106 C107 C108 179.4(9) . . . . ?
C101 C106 C107 C112 -0.4(9) . . . . ?
C102 C101 C106 C105 0.8(12) . . . . ?
C102 C101 C106 C107 179.1(8) . . . . ?
C102 C103 C104 C105 0.7(18) . . . . ?
C103 C104 C105 C106 -1.2(17) . . . . ?
C104 C105 C106 C101 0.4(14) . . . . ?
C104 C105 C106 C107 -177.2(10) . . . . ?
C105 C106 C107 C108 -2.7(18) . . . . ?
C105 C106 C107 C112 177.5(10) . . . . ?
C106 C101 C102 C103 -1.2(13) . . . . ?
C106 C107 C108 C109 179.7(9) . . . . ?
C106 C107 C112 N12 1.1(9) . . . . ?
C106 C107 C112 C111 -179.1(7) . . . . ?
C107 C108 C109 C110 -0.2(15) . . . . ?
C108 C107 C112 N12 -178.7(7) . . . . ?
C108 C107 C112 C111 1.0(12) . . . . ?
C108 C109 C110 C111 0.6(15) . . . . ?
C109 C110 C111 C112 -0.1(13) . . . . ?
C110 C111 C112 N12 179.0(8) . . . . ?
C110 C111 C112 C107 -0.7(12) . . . . ?
C112 N12 C101 C102 -178.4(8) . . . . ?
C112 N12 C101 C106 1.2(9) . . . . ?
C112 C107 C108 C109 -0.6(13) . . . . ?
C113 N13 C124 C119 -0.8(8) . . . . ?
C113 N13 C124 C123 -179.7(8) . . . . ?
C113 C114 C115 C116 -0.5(12) . . . . ?
C113 C118 C119 C120 178.7(9) . . . . ?
C113 C118 C119 C124 0.3(8) . . . . ?
C114 C113 C118 C117 1.3(11) . . . . ?
C114 C113 C118 C119 -179.4(7) . . . . ?
C114 C115 C116 C117 1.3(14) . . . . ?
C115 C116 C117 C118 -0.7(13) . . . . ?
C116 C117 C118 C113 -0.5(12) . . . . ?
C116 C117 C118 C119 -179.5(9) . . . . ?
C117 C118 C119 C120 -2.2(16) . . . . ?
C117 C118 C119 C124 179.4(9) . . . . ?
C118 C113 C114 C115 -0.7(11) . . . . ?
C118 C119 C120 C121 -176.9(8) . . . . ?
C118 C119 C124 N13 0.3(8) . . . . ?
C118 C119 C124 C123 179.4(7) . . . . ?
C119 C120 C121 C122 -2.5(13) . . . . ?
C120 C119 C124 N13 -178.4(7) . . . . ?
C120 C119 C124 C123 0.7(11) . . . . ?
C120 C121 C122 C123 1.6(14) . . . . ?
C121 C122 C123 C124 0.5(13) . . . . ?
C122 C123 C124 N13 177.3(8) . . . . ?
C122 C123 C124 C119 -1.6(11) . . . . ?
C124 N13 C113 C114 179.6(7) . . . . ?
C124 N13 C113 C118 1.0(8) . . . . ?
C124 C119 C120 C121 1.3(12) . . . . ?
C125 N14 C126 C127 -1.3(11) . . . . ?
C125 N14 C128 C129 -104.2(9) . . . . ?
C125 N14 C128 C133 75.4(10) . . . . ?
C125 N15 C127 C126 0.5(11) . . . . ?
C125 N15 C137 C138 95.4(9) . . . . ?
C126 N14 C125 Au5 -177.5(6) . . . . ?
C126 N14 C125 N15 1.6(9) . . . . ?
C126 N14 C128 C129 80.6(11) . . . . ?
C126 N14 C128 C133 -99.8(10) . . . . ?
C127 N15 C125 Au5 177.8(6) . . . . ?
C127 N15 C125 N14 -1.2(9) . . . . ?
C127 N15 C137 C138 -91.2(10) . . . . ?
C128 N14 C125 Au5 6.8(11) . . . . ?
C128 N14 C125 N15 -174.2(7) . . . . ?
C128 N14 C126 C127 174.4(8) . . . . ?
C128 C129 C130 C131 3.0(13) . . . . ?
C129 C128 C133 C132 2.4(12) . . . . ?
C129 C128 C133 C136 -177.6(8) . . . . ?
C129 C130 C131 C132 0.6(12) . . . . ?
C129 C130 C131 C135 179.0(8) . . . . ?
C130 C131 C132 C133 -3.0(12) . . . . ?
C131 C132 C133 C128 1.5(12) . . . . ?
C131 C132 C133 C136 -178.5(8) . . . . ?
C133 C128 C129 C130 -4.6(12) . . . . ?
C133 C128 C129 C134 176.8(8) . . . . ?
C134 C129 C130 C131 -178.4(8) . . . . ?
C135 C131 C132 C133 178.7(8) . . . . ?
C137 N15 C125 Au5 -8.1(11) . . . . ?
C137 N15 C125 N14 173.0(7) . . . . ?
C137 N15 C127 C126 -173.8(8) . . . . ?
C137 C138 C139 C138 -174.7(8) . . . 2 ?
C137 C138 C141 C140 175.1(6) . . . . ?
C139 C138 C141 C140 0.3(11) . . . . ?
C141 C138 C139 C138 -0.1(5) . . . 2 ?
C141 C140 C141 C138 -0.1(5) 2 . . . ?
loop_
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
26.1576 16.5141 -28.5142 -0.1396 -0.5805 0.8022
33.8544 -9.7594 -30.3056 0.1180 0.4958 0.8604
-20.2842 -19.7654 23.5868 0.1750 0.7289 -0.6619
-25.6897 17.5284 20.8511 -0.1866 -0.7818 -0.5950
13.1122 0.3780 -72.5000 -0.7723 0.1856 0.6076
2.7956 0.9791 70.5881 0.9473 -0.2270 -0.2262
-24.5715 -2.6019 -45.4748 -0.8961 0.2140 -0.3889
1.8560 23.9922 -6.8280 -0.2284 -0.9554 0.1872
-36.6753 1.8563 34.5090 -0.0464 -0.1876 -0.9812
21.2855 2.3955 51.4130 0.9315 -0.2232 0.2872
31.2827 2.1544 -53.0192 -0.2924 0.0712 0.9536
