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#$Date: 2025-05-31 04:28:59 +0300 (Sat, 31 May 2025) $
#$Revision: 299886 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/04/7250490.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_7250490
loop_
_publ_author_name
'Al-Buthabhak, Hawraa S.'
'Al-Ameed, Karrar'
'Yu, Yu'
'Sobolev, Alexandre N.'
'Moggach, Stephen A.'
'Al-Salami, Hani'
'Ferro, Vito'
'Baker, Murray V.'
_publ_section_title
;
 Gold(i) and gold(iii) complexes of triazolyl-functionalised NHCs
;
_journal_issue                   23
_journal_name_full               'RSC Advances'
_journal_page_first              18123
_journal_page_last               18141
_journal_paper_doi               10.1039/D5RA02655E
_journal_volume                  15
_journal_year                    2025
_chemical_formula_moiety         'C23 H20 Au Br2 Cl3 N8'
_chemical_formula_sum            'C23 H20 Au Br2 Cl3 N8'
_chemical_formula_weight         871.61
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-01-12 deposited with the CCDC.	2025-05-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.315(1)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.1824(2)
_cell_length_b                   22.9556(2)
_cell_length_c                   14.4701(1)
_cell_measurement_reflns_used    79553
_cell_measurement_temperature    101(2)
_cell_measurement_theta_max      31.701
_cell_measurement_theta_min      3.462
_cell_volume                     5626.51(10)
_computing_cell_refinement       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.103a (Rigaku OD, 2021)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      101(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.4738
_diffrn_detector_type            Ruby
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Oxford Diffraction Gemini-R Ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.0400541
_diffrn_orient_matrix_UB_12      -0.0061958
_diffrn_orient_matrix_UB_13      0.0286646
_diffrn_orient_matrix_UB_21      0.0045532
_diffrn_orient_matrix_UB_22      -0.0132250
_diffrn_orient_matrix_UB_23      -0.0419070
_diffrn_orient_matrix_UB_31      0.0113274
_diffrn_orient_matrix_UB_32      0.0272286
_diffrn_orient_matrix_UB_33      -0.0138183
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0594
_diffrn_reflns_av_unetI/netI     0.0181
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            213128
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.228
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    8.384
_exptl_absorpt_correction_T_max  0.691
_exptl_absorpt_correction_T_min  0.357
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.103a (Rigaku Oxford Diffraction, 2021)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_density_diffrn    2.058
_exptl_crystal_description       block
_exptl_crystal_F_000             3312
_exptl_crystal_size_max          0.286
_exptl_crystal_size_mid          0.253
_exptl_crystal_size_min          0.095
_refine_diff_density_max         2.343
_refine_diff_density_min         -1.315
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     634
_refine_ls_number_reflns         9913
_refine_ls_number_restraints     112
_refine_ls_restrained_S_all      1.008
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0281
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0250P)²+36.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0655
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8975
_reflns_number_total             9913
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ra02655e2.cif
_cod_data_source_block           ha269
_cod_original_cell_volume        5626.51(9)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7250490
_shelx_shelxl_version_number     2019/3
_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   0.198
_shelx_estimated_absorpt_t_max   0.503
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.51173(2) 0.72204(2) -0.00990(2) 0.01692(5) Uani 1 1 d . . . . .
Br11 Br 0.13900(4) 0.72434(3) -0.53602(4) 0.04609(16) Uani 1 1 d . . . . .
Br12 Br 0.94132(3) 0.84637(3) 0.46281(4) 0.04236(15) Uani 1 1 d . . . . .
Cl11 Cl 0.63527(7) 0.72967(5) -0.01573(9) 0.0248(3) Uani 1 1 d . . . . .
Cl12 Cl 0.47782(8) 0.81324(5) -0.07951(9) 0.0287(3) Uani 1 1 d . . . . .
Cl13 Cl 0.39259(7) 0.71142(5) 0.00749(9) 0.0246(3) Uani 1 1 d . . . . .
C11 C 0.5396(3) 0.6414(2) 0.0411(3) 0.0184(10) Uani 1 1 d . . . . .
N12 N 0.5499(2) 0.59665(16) -0.0118(3) 0.0189(8) Uani 1 1 d . . . . .
C13 C 0.5710(3) 0.5478(2) 0.0483(4) 0.0222(10) Uani 1 1 d . . . . .
H13 H 0.582101 0.510163 0.029326 0.027 Uiso 1 1 calc R U . . .
C14 C 0.5729(3) 0.5637(2) 0.1383(4) 0.0218(10) Uani 1 1 d . . . . .
H14 H 0.585499 0.539333 0.195079 0.026 Uiso 1 1 calc R U . . .
N15 N 0.5532(2) 0.62194(16) 0.1331(3) 0.0177(8) Uani 1 1 d . . . . .
C12 C 0.5413(3) 0.5987(2) -0.1177(3) 0.0212(10) Uani 1 1 d . . . . .
H12B H 0.557156 0.560666 -0.136787 0.025 Uiso 1 1 calc R U . . .
H12C H 0.577226 0.628797 -0.126479 0.025 Uiso 1 1 calc R U . . .
C121 C 0.4589(3) 0.61212(19) -0.1843(3) 0.0179(10) Uani 1 1 d . . . . .
C122 C 0.4314(3) 0.6545(2) -0.2552(3) 0.0211(10) Uani 1 1 d . . . . .
H12A H 0.461021 0.684219 -0.271439 0.025 Uiso 1 1 calc R U . . .
N123 N 0.3537(2) 0.64485(17) -0.2966(3) 0.0199(8) Uani 1 1 d . . . . .
N124 N 0.3321(2) 0.59885(17) -0.2545(3) 0.0245(9) Uani 1 1 d . . . . .
N125 N 0.3965(2) 0.57868(17) -0.1859(3) 0.0234(9) Uani 1 1 d . . . . .
C126 C 0.2935(3) 0.6766(2) -0.3763(3) 0.0228(10) Uani 1 1 d . . . . .
H12D H 0.252359 0.648735 -0.415406 0.027 Uiso 1 1 calc R U . . .
H12E H 0.318062 0.693383 -0.421096 0.027 Uiso 1 1 calc R U . . .
C127 C 0.25408(19) 0.72565(14) -0.3392(2) 0.0220(10) Uani 1 1 d G . . . .
C128 C 0.18403(19) 0.74935(15) -0.4032(2) 0.0296(12) Uani 1 1 d G . . . .
C129 C 0.1469(2) 0.79307(16) -0.3706(3) 0.0388(14) Uani 1 1 d G . . . .
H129 H 0.098826 0.809317 -0.414523 0.047 Uiso 1 1 calc R U . . .
C130 C 0.1798(2) 0.81310(15) -0.2739(3) 0.0355(13) Uani 1 1 d G . . . .
H130 H 0.154282 0.843090 -0.251493 0.043 Uiso 1 1 calc R U . . .
C131 C 0.2498(2) 0.78940(15) -0.2098(2) 0.0290(12) Uani 1 1 d G . . . .
H131 H 0.272358 0.803135 -0.143468 0.035 Uiso 1 1 calc R U . . .
C132 C 0.28697(19) 0.74568(14) -0.2424(2) 0.0255(11) Uani 1 1 d G . . . .
H132 H 0.335010 0.729428 -0.198509 0.031 Uiso 1 1 calc R U . . .
C15 C 0.5476(3) 0.6571(2) 0.2154(3) 0.0189(10) Uani 1 1 d . . . . .
H15B H 0.559401 0.632031 0.274691 0.023 Uiso 1 1 calc R U . . .
H15C H 0.492823 0.671509 0.197135 0.023 Uiso 1 1 calc R U . . .
C151 C 0.6027(3) 0.7078(2) 0.2409(3) 0.0192(10) Uani 1 1 d . . . . .
C152 C 0.6821(3) 0.7106(2) 0.2938(4) 0.0233(11) Uani 1 1 d . . . . .
H15A H 0.716871 0.679138 0.322499 0.028 Uiso 1 1 calc R U . . .
N153 N 0.7001(2) 0.76746(18) 0.2963(3) 0.0229(9) Uani 1 1 d . . . . .
N154 N 0.6352(2) 0.79945(18) 0.2477(3) 0.0237(9) Uani 1 1 d . . . . .
N155 N 0.5760(2) 0.76305(17) 0.2139(3) 0.0220(9) Uani 1 1 d . . . . .
C156 C 0.7753(3) 0.7965(3) 0.3463(4) 0.0307(12) Uani 1 1 d . . . . .
H15D H 0.801118 0.778695 0.412633 0.037 Uiso 1 1 calc R U . . .
H15E H 0.765215 0.837963 0.356233 0.037 Uiso 1 1 calc R U . . .
C157 C 0.83180(19) 0.79299(15) 0.2896(2) 0.0245(11) Uani 1 1 d G . . . .
C158 C 0.90826(19) 0.81277(16) 0.3356(2) 0.0280(11) Uani 1 1 d G . . . .
C159 C 0.96035(19) 0.81092(17) 0.2860(3) 0.0355(13) Uani 1 1 d G . . . .
H159 H 1.012920 0.824526 0.317523 0.043 Uiso 1 1 calc R U . . .
C160 C 0.9360(2) 0.78927(19) 0.1904(3) 0.0431(15) Uani 1 1 d G . . . .
H160 H 0.971815 0.787991 0.156309 0.052 Uiso 1 1 calc R U . . .
C161 C 0.8595(2) 0.76949(18) 0.1445(3) 0.0415(15) Uani 1 1 d G . . . .
H161 H 0.842791 0.754612 0.078813 0.050 Uiso 1 1 calc R U . . .
C162 C 0.8074(2) 0.77135(16) 0.1941(2) 0.0300(12) Uani 1 1 d G . . . .
H162 H 0.754872 0.757737 0.162544 0.036 Uiso 1 1 calc R U . . .
Au2 Au 0.74540(2) 0.48335(2) 0.65499(2) 0.02191(6) Uani 1 1 d . . . . .
Br21 Br 0.87215(3) 0.37259(3) 1.27454(4) 0.03920(14) Uani 1 1 d . . . . .
Br22 Br 0.9342(3) 0.6238(2) 0.4544(3) 0.0913(11) Uani 0.546(6) 1 d D U P A 1
Br32 Br 0.9601(3) 0.5978(3) 0.4784(4) 0.0913(11) Uani 0.454(6) 1 d D U P A 2
Cl21 Cl 0.80724(8) 0.54424(6) 0.78488(10) 0.0325(3) Uani 1 1 d . . . . .
Cl22 Cl 0.86457(8) 0.44613(6) 0.65658(12) 0.0384(3) Uani 1 1 d . . . . .
Cl23 Cl 0.67728(8) 0.42435(5) 0.52528(9) 0.0298(3) Uani 1 1 d . . . . .
C21 C 0.6426(3) 0.5184(2) 0.6454(3) 0.0193(10) Uani 1 1 d . . . . .
N22 N 0.5829(2) 0.49222(17) 0.6638(3) 0.0216(9) Uani 1 1 d . . . . .
C23 C 0.5205(3) 0.5302(2) 0.6431(4) 0.0252(11) Uani 1 1 d . . . . .
H23 H 0.471267 0.522563 0.649668 0.030 Uiso 1 1 calc R U . . .
C24 C 0.5419(3) 0.5800(2) 0.6118(4) 0.0251(11) Uani 1 1 d . . . . .
H24 H 0.510795 0.614196 0.591866 0.030 Uiso 1 1 calc R U . . .
N25 N 0.6177(2) 0.57227(17) 0.6140(3) 0.0196(8) Uani 1 1 d . . . . .
C22 C 0.5851(3) 0.4322(2) 0.7004(4) 0.0231(10) Uani 1 1 d . . . . .
H22B H 0.610883 0.406715 0.665930 0.028 Uiso 1 1 calc R U . . .
H22C H 0.530393 0.418066 0.684253 0.028 Uiso 1 1 calc R U . . .
C221 C 0.6285(3) 0.4279(2) 0.8093(4) 0.0202(10) Uani 1 1 d . . . . .
C222 C 0.6855(3) 0.3898(2) 0.8636(4) 0.0254(11) Uani 1 1 d . . . . .
H22A H 0.708501 0.358855 0.839745 0.031 Uiso 1 1 calc R U . . .
N223 N 0.7019(2) 0.40579(17) 0.9587(3) 0.0240(9) Uani 1 1 d . . . . .
N224 N 0.6586(3) 0.45165(19) 0.9639(3) 0.0289(10) Uani 1 1 d . . . . .
N225 N 0.6131(3) 0.46500(19) 0.8730(3) 0.0290(10) Uani 1 1 d . . . . .
C226 C 0.7618(3) 0.3843(2) 1.0503(4) 0.0315(12) Uani 1 1 d . . . . .
H22D H 0.774620 0.343338 1.040880 0.038 Uiso 1 1 calc R U . . .
H22E H 0.740478 0.385237 1.104230 0.038 Uiso 1 1 calc R U . . .
C227 C 0.8372(2) 0.42091(16) 1.0805(3) 0.0303(12) Uani 1 1 d G . . . .
C228 C 0.8894(2) 0.42041(16) 1.1779(3) 0.0346(13) Uani 1 1 d G . . . .
C229 C 0.9566(2) 0.45468(18) 1.2059(3) 0.0403(14) Uani 1 1 d G . . . .
H229 H 0.992422 0.454335 1.272791 0.048 Uiso 1 1 calc R U . . .
C230 C 0.9715(2) 0.48945(19) 1.1366(3) 0.0495(17) Uani 1 1 d G . . . .
H230 H 1.017615 0.512986 1.155910 0.059 Uiso 1 1 calc R U . . .
C231 C 0.9193(2) 0.48994(18) 1.0392(3) 0.0488(18) Uani 1 1 d G . . . .
H231 H 0.929547 0.513807 0.991647 0.059 Uiso 1 1 calc R U . . .
C232 C 0.8521(2) 0.45568(17) 1.0112(3) 0.0383(14) Uani 1 1 d G . . . .
H232 H 0.816258 0.456023 0.944306 0.046 Uiso 1 1 calc R U . . .
C25 C 0.6629(3) 0.6156(2) 0.5812(4) 0.0229(10) Uani 1 1 d . . . . .
H25B H 0.709196 0.628672 0.638717 0.027 Uiso 1 1 calc R U . . .
H25C H 0.629379 0.650038 0.553233 0.027 Uiso 1 1 calc R U . . .
C251 C 0.6900(3) 0.5896(2) 0.5047(4) 0.0228(11) Uani 1 1 d . . . . .
C252 C 0.7642(3) 0.5737(2) 0.5100(4) 0.0244(11) Uani 1 1 d . . . . .
H25A H 0.812893 0.581299 0.562412 0.029 Uiso 1 1 calc R U . . .
N253 N 0.7531(3) 0.54521(19) 0.4255(3) 0.0276(10) Uani 1 1 d . . . . .
N254 N 0.6760(3) 0.5428(2) 0.3689(3) 0.0291(10) Uani 1 1 d . . . . .
N255 N 0.6370(2) 0.57019(18) 0.4167(3) 0.0243(9) Uani 1 1 d . . . . .
C256 C 0.8103(4) 0.5145(3) 0.3918(4) 0.0366(13) Uani 1 1 d D . . . .
H25D H 0.790051 0.475492 0.365788 0.044 Uiso 0.546(6) 1 calc R U P A 1
H25E H 0.861345 0.509792 0.447543 0.044 Uiso 0.546(6) 1 calc R U P A 1
H25F H 0.787171 0.476650 0.362953 0.044 Uiso 0.454(6) 1 calc R U P A 2
H25G H 0.858309 0.506285 0.450455 0.044 Uiso 0.454(6) 1 calc R U P A 2
C257 C 0.8209(7) 0.5521(5) 0.3096(4) 0.035(2) Uani 0.546(6) 1 d DG U P A 1
C258 C 0.8717(4) 0.5993(3) 0.3248(4) 0.046(3) Uani 0.546(6) 1 d DG U P A 1
C259 C 0.8773(5) 0.6292(4) 0.2440(5) 0.049(3) Uani 0.546(6) 1 d DG U P A 1
H259 H 0.912070 0.661474 0.254362 0.059 Uiso 0.546(6) 1 calc R U P A 1
C260 C 0.8321(6) 0.6118(4) 0.1482(5) 0.051(3) Uani 0.546(6) 1 d DG U P A 1
H260 H 0.835882 0.632199 0.092953 0.061 Uiso 0.546(6) 1 calc R U P A 1
C261 C 0.7812(6) 0.5646(5) 0.1330(5) 0.047(2) Uani 0.546(6) 1 d DG U P A 1
H261 H 0.750281 0.552680 0.067500 0.057 Uiso 0.546(6) 1 calc R U P A 1
C262 C 0.7757(9) 0.5347(6) 0.2138(5) 0.0378(16) Uani 0.546(6) 1 d DG U P A 1
H262 H 0.740914 0.502421 0.203426 0.045 Uiso 0.546(6) 1 calc R U P A 1
C357 C 0.8346(8) 0.5469(7) 0.3159(5) 0.035(2) Uani 0.454(6) 1 d DG U P A 2
C358 C 0.8954(5) 0.5871(3) 0.3434(5) 0.046(3) Uani 0.454(6) 1 d DG U P A 2
C359 C 0.9099(6) 0.6204(5) 0.2718(6) 0.049(3) Uani 0.454(6) 1 d DG U P A 2
H359 H 0.951589 0.648108 0.290989 0.059 Uiso 0.454(6) 1 calc R U P A 2
C360 C 0.8641(7) 0.6135(5) 0.1729(6) 0.051(3) Uani 0.454(6) 1 d DG U P A 2
H360 H 0.874769 0.635904 0.123947 0.061 Uiso 0.454(6) 1 calc R U P A 2
C361 C 0.8020(8) 0.5734(6) 0.1447(6) 0.047(2) Uani 0.454(6) 1 d DG U P A 2
H361 H 0.769735 0.568897 0.076743 0.057 Uiso 0.454(6) 1 calc R U P A 2
C362 C 0.7875(10) 0.5401(8) 0.2164(6) 0.0378(16) Uani 0.454(6) 1 d DG U P A 2
H362 H 0.745476 0.512659 0.197476 0.045 Uiso 0.454(6) 1 calc R U P A 2
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'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C11 Au1 Cl13 89.04(14) . . ?
C11 Au1 Cl11 87.94(14) . . ?
Cl13 Au1 Cl11 175.70(4) . . ?
C11 Au1 Cl12 176.18(13) . . ?
Cl13 Au1 Cl12 91.80(5) . . ?
Cl11 Au1 Cl12 91.41(5) . . ?
N12 C11 N15 107.5(4) . . ?
N12 C11 Au1 125.0(3) . . ?
N15 C11 Au1 127.5(3) . . ?
C11 N12 C13 109.1(4) . . ?
C11 N12 C12 125.7(4) . . ?
C13 N12 C12 125.2(4) . . ?
C14 C13 N12 107.1(4) . . ?
C14 C13 H13 126.5 . . ?
N12 C13 H13 126.5 . . ?
C13 C14 N15 107.2(4) . . ?
C13 C14 H14 126.4 . . ?
N15 C14 H14 126.4 . . ?
C11 N15 C14 109.1(4) . . ?
C11 N15 C15 125.4(4) . . ?
C14 N15 C15 125.5(4) . . ?
N12 C12 C121 112.2(4) . . ?
N12 C12 H12B 109.2 . . ?
C121 C12 H12B 109.2 . . ?
N12 C12 H12C 109.2 . . ?
C121 C12 H12C 109.2 . . ?
H12B C12 H12C 107.9 . . ?
N125 C121 C122 108.2(4) . . ?
N125 C121 C12 122.0(4) . . ?
C122 C121 C12 129.7(4) . . ?
N123 C122 C121 104.9(4) . . ?
N123 C122 H12A 127.6 . . ?
C121 C122 H12A 127.6 . . ?
C122 N123 N124 111.2(4) . . ?
C122 N123 C126 129.6(4) . . ?
N124 N123 C126 119.2(4) . . ?
N125 N124 N123 107.0(4) . . ?
N124 N125 C121 108.8(4) . . ?
N123 C126 C127 113.7(4) . . ?
N123 C126 H12D 108.8 . . ?
C127 C126 H12D 108.8 . . ?
N123 C126 H12E 108.8 . . ?
C127 C126 H12E 108.8 . . ?
H12D C126 H12E 107.7 . . ?
C132 C127 C128 120.0 . . ?
C132 C127 C126 120.8(3) . . ?
C128 C127 C126 119.1(3) . . ?
C127 C128 C129 120.0 . . ?
C127 C128 Br11 121.07(17) . . ?
C129 C128 Br11 118.92(17) . . ?
C130 C129 C128 120.0 . . ?
C130 C129 H129 120.0 . . ?
C128 C129 H129 120.0 . . ?
C129 C130 C131 120.0 . . ?
C129 C130 H130 120.0 . . ?
C131 C130 H130 120.0 . . ?
C130 C131 C132 120.0 . . ?
C130 C131 H131 120.0 . . ?
C132 C131 H131 120.0 . . ?
C127 C132 C131 120.0 . . ?
C127 C132 H132 120.0 . . ?
C131 C132 H132 120.0 . . ?
N15 C15 C151 113.0(4) . . ?
N15 C15 H15B 109.0 . . ?
C151 C15 H15B 109.0 . . ?
N15 C15 H15C 109.0 . . ?
C151 C15 H15C 109.0 . . ?
H15B C15 H15C 107.8 . . ?
N155 C151 C152 108.1(4) . . ?
N155 C151 C15 121.2(4) . . ?
C152 C151 C15 130.6(4) . . ?
N153 C152 C151 104.9(4) . . ?
N153 C152 H15A 127.5 . . ?
C151 C152 H15A 127.5 . . ?
C152 N153 N154 110.9(4) . . ?
C152 N153 C156 129.3(4) . . ?
N154 N153 C156 119.7(4) . . ?
N155 N154 N153 107.0(4) . . ?
N154 N155 C151 109.2(4) . . ?
N153 C156 C157 113.6(4) . . ?
N153 C156 H15D 108.8 . . ?
C157 C156 H15D 108.8 . . ?
N153 C156 H15E 108.8 . . ?
C157 C156 H15E 108.8 . . ?
H15D C156 H15E 107.7 . . ?
C158 C157 C162 120.0 . . ?
C158 C157 C156 118.6(3) . . ?
C162 C157 C156 121.4(3) . . ?
C159 C158 C157 120.0 . . ?
C159 C158 Br12 119.05(18) . . ?
C157 C158 Br12 120.86(18) . . ?
C158 C159 C160 120.0 . . ?
C158 C159 H159 120.0 . . ?
C160 C159 H159 120.0 . . ?
C161 C160 C159 120.0 . . ?
C161 C160 H160 120.0 . . ?
C159 C160 H160 120.0 . . ?
C160 C161 C162 120.0 . . ?
C160 C161 H161 120.0 . . ?
C162 C161 H161 120.0 . . ?
C157 C162 C161 120.0 . . ?
C157 C162 H162 120.0 . . ?
C161 C162 H162 120.0 . . ?
C21 Au2 Cl23 88.14(13) . . ?
C21 Au2 Cl21 88.78(13) . . ?
Cl23 Au2 Cl21 176.91(5) . . ?
C21 Au2 Cl22 176.08(14) . . ?
Cl23 Au2 Cl22 90.88(5) . . ?
Cl21 Au2 Cl22 92.21(5) . . ?
N25 C21 N22 106.3(4) . . ?
N25 C21 Au2 126.2(3) . . ?
N22 C21 Au2 127.4(4) . . ?
C21 N22 C23 109.5(4) . . ?
C21 N22 C22 124.7(4) . . ?
C23 N22 C22 125.8(4) . . ?
C24 C23 N22 107.2(4) . . ?
C24 C23 H23 126.4 . . ?
N22 C23 H23 126.4 . . ?
C23 C24 N25 107.2(4) . . ?
C23 C24 H24 126.4 . . ?
N25 C24 H24 126.4 . . ?
C21 N25 C24 109.8(4) . . ?
C21 N25 C25 125.0(4) . . ?
C24 N25 C25 125.2(4) . . ?
N22 C22 C221 112.2(4) . . ?
N22 C22 H22B 109.2 . . ?
C221 C22 H22B 109.2 . . ?
N22 C22 H22C 109.2 . . ?
C221 C22 H22C 109.2 . . ?
H22B C22 H22C 107.9 . . ?
N225 C221 C222 108.2(4) . . ?
N225 C221 C22 121.2(4) . . ?
C222 C221 C22 130.6(4) . . ?
N223 C222 C221 104.6(4) . . ?
N223 C222 H22A 127.7 . . ?
C221 C222 H22A 127.7 . . ?
N224 N223 C222 110.9(4) . . ?
N224 N223 C226 118.5(4) . . ?
C222 N223 C226 130.4(4) . . ?
N225 N224 N223 107.4(4) . . ?
N224 N225 C221 109.0(4) . . ?
N223 C226 C227 111.6(4) . . ?
N223 C226 H22D 109.3 . . ?
C227 C226 H22D 109.3 . . ?
N223 C226 H22E 109.3 . . ?
C227 C226 H22E 109.3 . . ?
H22D C226 H22E 108.0 . . ?
C228 C227 C232 120.0 . . ?
C228 C227 C226 119.9(3) . . ?
C232 C227 C226 120.1(3) . . ?
C229 C228 C227 120.0 . . ?
C229 C228 Br21 118.6(2) . . ?
C227 C228 Br21 121.4(2) . . ?
C230 C229 C228 120.0 . . ?
C230 C229 H229 120.0 . . ?
C228 C229 H229 120.0 . . ?
C229 C230 C231 120.0 . . ?
C229 C230 H230 120.0 . . ?
C231 C230 H230 120.0 . . ?
C232 C231 C230 120.0 . . ?
C232 C231 H231 120.0 . . ?
C230 C231 H231 120.0 . . ?
C231 C232 C227 120.0 . . ?
C231 C232 H232 120.0 . . ?
C227 C232 H232 120.0 . . ?
N25 C25 C251 109.9(4) . . ?
N25 C25 H25B 109.7 . . ?
C251 C25 H25B 109.7 . . ?
N25 C25 H25C 109.7 . . ?
C251 C25 H25C 109.7 . . ?
H25B C25 H25C 108.2 . . ?
N255 C251 C252 108.2(4) . . ?
N255 C251 C25 120.9(5) . . ?
C252 C251 C25 130.4(5) . . ?
N253 C252 C251 105.1(4) . . ?
N253 C252 H25A 127.4 . . ?
C251 C252 H25A 127.4 . . ?
C252 N253 N254 110.7(4) . . ?
C252 N253 C256 130.2(5) . . ?
N254 N253 C256 118.9(4) . . ?
N255 N254 N253 107.6(4) . . ?
N254 N255 C251 108.3(4) . . ?
N253 C256 C357 115.5(9) . . ?
N253 C256 C257 106.8(8) . . ?
N253 C256 H25D 110.4 . . ?
C257 C256 H25D 110.4 . . ?
N253 C256 H25E 110.4 . . ?
C257 C256 H25E 110.4 . . ?
H25D C256 H25E 108.6 . . ?
N253 C256 H25F 108.4 . . ?
C357 C256 H25F 108.4 . . ?
N253 C256 H25G 108.4 . . ?
C357 C256 H25G 108.4 . . ?
H25F C256 H25G 107.5 . . ?
C258 C257 C262 120.0 . . ?
C258 C257 C256 125.4(4) . . ?
C262 C257 C256 114.6(4) . . ?
C257 C258 C259 120.0 . . ?
C257 C258 Br22 120.9(3) . . ?
C259 C258 Br22 119.1(3) . . ?
C258 C259 C260 120.0 . . ?
C258 C259 H259 120.0 . . ?
C260 C259 H259 120.0 . . ?
C261 C260 C259 120.0 . . ?
C261 C260 H260 120.0 . . ?
C259 C260 H260 120.0 . . ?
C262 C261 C260 120.0 . . ?
C262 C261 H261 120.0 . . ?
C260 C261 H261 120.0 . . ?
C261 C262 C257 120.0 . . ?
C261 C262 H262 120.0 . . ?
C257 C262 H262 120.0 . . ?
C358 C357 C362 120.1 . . ?
C358 C357 C256 122.1(5) . . ?
C362 C357 C256 117.5(5) . . ?
C357 C358 C359 120.1 . . ?
C357 C358 Br32 121.0(3) . . ?
C359 C358 Br32 119.0(3) . . ?
C360 C359 C358 120.3 . . ?
C360 C359 H359 119.8 . . ?
C358 C359 H359 119.8 . . ?
C359 C360 C361 119.8 . . ?
C359 C360 H360 120.1 . . ?
C361 C360 H360 120.1 . . ?
C362 C361 C360 119.9 . . ?
C362 C361 H361 120.1 . . ?
C360 C361 H361 120.1 . . ?
C361 C362 C357 119.9 . . ?
C361 C362 H362 120.1 . . ?
C357 C362 H362 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 C11 1.990(5) . ?
Au1 Cl13 2.2828(12) . ?
Au1 Cl11 2.2851(12) . ?
Au1 Cl12 2.3078(12) . ?
Br11 C128 1.884(3) . ?
Br12 C158 1.882(3) . ?
C11 N12 1.334(6) . ?
C11 N15 1.339(6) . ?
N12 C13 1.385(6) . ?
N12 C12 1.483(6) . ?
C13 C14 1.341(7) . ?
C13 H13 0.9500 . ?
C14 N15 1.380(6) . ?
C14 H14 0.9500 . ?
N15 C15 1.473(6) . ?
C12 C121 1.490(7) . ?
C12 H12B 0.9900 . ?
C12 H12C 0.9900 . ?
C121 N125 1.363(6) . ?
C121 C122 1.370(7) . ?
C122 N123 1.337(6) . ?
C122 H12A 0.9500 . ?
N123 N124 1.348(6) . ?
N123 C126 1.463(6) . ?
N124 N125 1.313(6) . ?
C126 C127 1.533(6) . ?
C126 H12D 0.9900 . ?
C126 H12E 0.9900 . ?
C127 C132 1.385(2) . ?
C127 C128 1.385(2) . ?
C128 C129 1.385(2) . ?
C129 C130 1.385(2) . ?
C129 H129 0.9500 . ?
C130 C131 1.385(2) . ?
C130 H130 0.9500 . ?
C131 C132 1.385(2) . ?
C131 H131 0.9500 . ?
C132 H132 0.9500 . ?
C15 C151 1.492(7) . ?
C15 H15B 0.9900 . ?
C15 H15C 0.9900 . ?
C151 N155 1.362(6) . ?
C151 C152 1.368(7) . ?
C152 N153 1.344(7) . ?
C152 H15A 0.9500 . ?
N153 N154 1.350(6) . ?
N153 C156 1.455(6) . ?
N154 N155 1.309(6) . ?
C156 C157 1.532(6) . ?
C156 H15D 0.9900 . ?
C156 H15E 0.9900 . ?
C157 C158 1.382(2) . ?
C157 C162 1.382(2) . ?
C158 C159 1.382(2) . ?
C159 C160 1.382(2) . ?
C159 H159 0.9500 . ?
C160 C161 1.381(2) . ?
C160 H160 0.9500 . ?
C161 C162 1.382(2) . ?
C161 H161 0.9500 . ?
C162 H162 0.9500 . ?
Au2 C21 1.993(5) . ?
Au2 Cl23 2.2806(13) . ?
Au2 Cl21 2.2835(13) . ?
Au2 Cl22 2.3215(14) . ?
Br21 C228 1.892(3) . ?
Br22 C258 1.891(5) . ?
Br32 C358 1.894(6) . ?
C21 N25 1.338(6) . ?
C21 N22 1.350(6) . ?
N22 C23 1.375(7) . ?
N22 C22 1.471(6) . ?
C23 C24 1.338(7) . ?
C23 H23 0.9500 . ?
C24 N25 1.377(6) . ?
C24 H24 0.9500 . ?
N25 C25 1.475(6) . ?
C22 C221 1.488(7) . ?
C22 H22B 0.9900 . ?
C22 H22C 0.9900 . ?
C221 N225 1.356(6) . ?
C221 C222 1.367(7) . ?
C222 N223 1.349(7) . ?
C222 H22A 0.9500 . ?
N223 N224 1.333(6) . ?
N223 C226 1.462(7) . ?
N224 N225 1.310(6) . ?
C226 C227 1.529(6) . ?
C226 H22D 0.9900 . ?
C226 H22E 0.9900 . ?
C227 C228 1.384(2) . ?
C227 C232 1.384(2) . ?
C228 C229 1.384(2) . ?
C229 C230 1.384(2) . ?
C229 H229 0.9500 . ?
C230 C231 1.384(2) . ?
C230 H230 0.9500 . ?
C231 C232 1.384(2) . ?
C231 H231 0.9500 . ?
C232 H232 0.9500 . ?
C25 C251 1.491(7) . ?
C25 H25B 0.9900 . ?
C25 H25C 0.9900 . ?
C251 N255 1.362(6) . ?
C251 C252 1.373(7) . ?
C252 N253 1.336(7) . ?
C252 H25A 0.9500 . ?
N253 N254 1.343(6) . ?
N253 C256 1.477(7) . ?
N254 N255 1.316(6) . ?
C256 C357 1.520(8) . ?
C256 C257 1.537(8) . ?
C256 H25D 0.9900 . ?
C256 H25E 0.9900 . ?
C256 H25F 0.9900 . ?
C256 H25G 0.9900 . ?
C257 C258 1.389(3) . ?
C257 C262 1.390(3) . ?
C258 C259 1.389(3) . ?
C259 C260 1.390(3) . ?
C259 H259 0.9500 . ?
C260 C261 1.390(3) . ?
C260 H260 0.9500 . ?
C261 C262 1.389(3) . ?
C261 H261 0.9500 . ?
C262 H262 0.9500 . ?
C357 C358 1.383(3) . ?
C357 C362 1.391(3) . ?
C358 C359 1.388(3) . ?
C359 C360 1.378(3) . ?
C359 H359 0.9500 . ?
C360 C361 1.399(3) . ?
C360 H360 0.9500 . ?
C361 C362 1.388(3) . ?
C361 H361 0.9500 . ?
C362 H362 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
_geom_hbond_publ_flag
C13 H13 N224 0.95 2.36 3.211(6) 148.1 1_554 yes
C14 H14 N254 0.95 2.46 3.214(6) 136.7 . yes
C12 H12B N225 0.99 2.40 3.357(6) 161.8 1_554 yes
C12 H12C Cl11 0.99 2.80 3.507(5) 129.3 . yes
C122 H12A N155 0.95 2.49 3.399(6) 159.9 4_575 yes
C126 H12E Cl13 0.99 2.95 3.859(5) 153.2 4_575 yes
C15 H15B N255 0.99 2.47 3.415(6) 158.8 . yes
C15 H15C Cl13 0.99 2.84 3.519(5) 126.6 . yes
C24 H24 Cl12 0.95 2.86 3.562(5) 131.2 4_576 yes
C22 H22B Cl12 0.99 2.70 3.220(5) 112.9 2_645 yes
C22 H22B Cl23 0.99 2.75 3.514(5) 134.6 . yes
C25 H25B Cl21 0.99 2.94 3.554(5) 120.8 . yes
C25 H25C Cl11 0.99 2.95 3.784(5) 142.4 4_576 yes
C25 H25C Cl12 0.99 2.85 3.703(5) 144.3 4_576 yes
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
N15 C11 N12 C13 -0.3(5) . . . . ?
Au1 C11 N12 C13 178.2(3) . . . . ?
N15 C11 N12 C12 -179.7(4) . . . . ?
Au1 C11 N12 C12 -1.2(7) . . . . ?
C11 N12 C13 C14 0.3(6) . . . . ?
C12 N12 C13 C14 179.6(4) . . . . ?
N12 C13 C14 N15 -0.1(5) . . . . ?
N12 C11 N15 C14 0.3(5) . . . . ?
Au1 C11 N15 C14 -178.2(3) . . . . ?
N12 C11 N15 C15 -179.5(4) . . . . ?
Au1 C11 N15 C15 2.0(7) . . . . ?
C13 C14 N15 C11 -0.1(5) . . . . ?
C13 C14 N15 C15 179.7(4) . . . . ?
C11 N12 C12 C121 -64.1(6) . . . . ?
C13 N12 C12 C121 116.6(5) . . . . ?
N12 C12 C121 N125 -57.1(6) . . . . ?
N12 C12 C121 C122 126.9(5) . . . . ?
N125 C121 C122 N123 0.0(5) . . . . ?
C12 C121 C122 N123 176.3(4) . . . . ?
C121 C122 N123 N124 0.2(5) . . . . ?
C121 C122 N123 C126 179.6(4) . . . . ?
C122 N123 N124 N125 -0.4(5) . . . . ?
C126 N123 N124 N125 -179.8(4) . . . . ?
N123 N124 N125 C121 0.3(5) . . . . ?
C122 C121 N125 N124 -0.2(5) . . . . ?
C12 C121 N125 N124 -176.9(4) . . . . ?
C122 N123 C126 C127 -91.4(6) . . . . ?
N124 N123 C126 C127 87.9(5) . . . . ?
N123 C126 C127 C132 14.6(5) . . . . ?
N123 C126 C127 C128 -164.3(3) . . . . ?
C132 C127 C128 C129 0.0 . . . . ?
C126 C127 C128 C129 178.9(4) . . . . ?
C132 C127 C128 Br11 178.6(3) . . . . ?
C126 C127 C128 Br11 -2.5(4) . . . . ?
C127 C128 C129 C130 0.0 . . . . ?
Br11 C128 C129 C130 -178.6(3) . . . . ?
C128 C129 C130 C131 0.0 . . . . ?
C129 C130 C131 C132 0.0 . . . . ?
C128 C127 C132 C131 0.0 . . . . ?
C126 C127 C132 C131 -178.9(4) . . . . ?
C130 C131 C132 C127 0.0 . . . . ?
C11 N15 C15 C151 -59.9(6) . . . . ?
C14 N15 C15 C151 120.3(5) . . . . ?
N15 C15 C151 N155 104.5(5) . . . . ?
N15 C15 C151 C152 -77.9(6) . . . . ?
N155 C151 C152 N153 -0.1(5) . . . . ?
C15 C151 C152 N153 -178.0(5) . . . . ?
C151 C152 N153 N154 0.3(5) . . . . ?
C151 C152 N153 C156 176.8(5) . . . . ?
C152 N153 N154 N155 -0.3(5) . . . . ?
C156 N153 N154 N155 -177.2(4) . . . . ?
N153 N154 N155 C151 0.2(5) . . . . ?
C152 C151 N155 N154 -0.1(5) . . . . ?
C15 C151 N155 N154 178.0(4) . . . . ?
C152 N153 C156 C157 80.7(6) . . . . ?
N154 N153 C156 C157 -103.1(5) . . . . ?
N153 C156 C157 C158 -172.2(3) . . . . ?
N153 C156 C157 C162 8.6(6) . . . . ?
C162 C157 C158 C159 0.0 . . . . ?
C156 C157 C158 C159 -179.2(4) . . . . ?
C162 C157 C158 Br12 176.5(3) . . . . ?
C156 C157 C158 Br12 -2.7(4) . . . . ?
C157 C158 C159 C160 0.0 . . . . ?
Br12 C158 C159 C160 -176.6(3) . . . . ?
C158 C159 C160 C161 0.0 . . . . ?
C159 C160 C161 C162 0.0 . . . . ?
C158 C157 C162 C161 0.0 . . . . ?
C156 C157 C162 C161 179.1(4) . . . . ?
C160 C161 C162 C157 0.0 . . . . ?
N25 C21 N22 C23 0.3(5) . . . . ?
Au2 C21 N22 C23 -176.5(3) . . . . ?
N25 C21 N22 C22 -179.8(4) . . . . ?
Au2 C21 N22 C22 3.5(6) . . . . ?
C21 N22 C23 C24 0.0(5) . . . . ?
C22 N22 C23 C24 -180.0(4) . . . . ?
N22 C23 C24 N25 -0.2(5) . . . . ?
N22 C21 N25 C24 -0.4(5) . . . . ?
Au2 C21 N25 C24 176.4(3) . . . . ?
N22 C21 N25 C25 -177.3(4) . . . . ?
Au2 C21 N25 C25 -0.5(6) . . . . ?
C23 C24 N25 C21 0.4(6) . . . . ?
C23 C24 N25 C25 177.3(4) . . . . ?
C21 N22 C22 C221 80.1(6) . . . . ?
C23 N22 C22 C221 -100.0(5) . . . . ?
N22 C22 C221 N225 48.6(6) . . . . ?
N22 C22 C221 C222 -132.7(5) . . . . ?
N225 C221 C222 N223 0.1(5) . . . . ?
C22 C221 C222 N223 -178.7(5) . . . . ?
C221 C222 N223 N224 -0.7(5) . . . . ?
C221 C222 N223 C226 -174.9(5) . . . . ?
C222 N223 N224 N225 1.1(6) . . . . ?
C226 N223 N224 N225 176.1(4) . . . . ?
N223 N224 N225 C221 -1.0(6) . . . . ?
C222 C221 N225 N224 0.5(6) . . . . ?
C22 C221 N225 N224 179.5(4) . . . . ?
N224 N223 C226 C227 -80.2(6) . . . . ?
C222 N223 C226 C227 93.6(6) . . . . ?
N223 C226 C227 C228 158.9(3) . . . . ?
N223 C226 C227 C232 -19.4(6) . . . . ?
C232 C227 C228 C229 0.0 . . . . ?
C226 C227 C228 C229 -178.3(4) . . . . ?
C232 C227 C228 Br21 -179.0(3) . . . . ?
C226 C227 C228 Br21 2.8(4) . . . . ?
C227 C228 C229 C230 0.0 . . . . ?
Br21 C228 C229 C230 179.0(3) . . . . ?
C228 C229 C230 C231 0.0 . . . . ?
C229 C230 C231 C232 0.0 . . . . ?
C230 C231 C232 C227 0.0 . . . . ?
C228 C227 C232 C231 0.0 . . . . ?
C226 C227 C232 C231 178.3(4) . . . . ?
C21 N25 C25 C251 51.9(6) . . . . ?
C24 N25 C25 C251 -124.5(5) . . . . ?
N25 C25 C251 N255 61.7(6) . . . . ?
N25 C25 C251 C252 -109.1(6) . . . . ?
N255 C251 C252 N253 -0.3(5) . . . . ?
C25 C251 C252 N253 171.4(5) . . . . ?
C251 C252 N253 N254 -0.1(5) . . . . ?
C251 C252 N253 C256 -175.5(5) . . . . ?
C252 N253 N254 N255 0.5(6) . . . . ?
C256 N253 N254 N255 176.4(4) . . . . ?
N253 N254 N255 C251 -0.6(5) . . . . ?
C252 C251 N255 N254 0.6(5) . . . . ?
C25 C251 N255 N254 -172.0(4) . . . . ?
C252 N253 C256 C357 -103.3(7) . . . . ?
N254 N253 C256 C357 81.7(7) . . . . ?
C252 N253 C256 C257 -108.1(6) . . . . ?
N254 N253 C256 C257 76.8(6) . . . . ?
N253 C256 C257 C258 83.8(12) . . . . ?
N253 C256 C257 C262 -97.5(4) . . . . ?
C262 C257 C258 C259 0.0 . . . . ?
C256 C257 C258 C259 178.6(13) . . . . ?
C262 C257 C258 Br22 -179.9(2) . . . . ?
C256 C257 C258 Br22 -1.2(13) . . . . ?
C257 C258 C259 C260 0.0 . . . . ?
Br22 C258 C259 C260 179.9(2) . . . . ?
C258 C259 C260 C261 0.0 . . . . ?
C259 C260 C261 C262 0.0 . . . . ?
C260 C261 C262 C257 0.0 . . . . ?
C258 C257 C262 C261 0.0 . . . . ?
C256 C257 C262 C261 -178.8(12) . . . . ?
N253 C256 C357 C358 85.8(13) . . . . ?
N253 C256 C357 C362 -86.7(6) . . . . ?
C362 C357 C358 C359 -0.5 . . . . ?
C256 C357 C358 C359 -172.8(15) . . . . ?
C362 C357 C358 Br32 179.6(2) . . . . ?
C256 C357 C358 Br32 7.2(15) . . . . ?
C357 C358 C359 C360 -0.3 . . . . ?
Br32 C358 C359 C360 179.7(2) . . . . ?
C358 C359 C360 C361 1.0 . . . . ?
C359 C360 C361 C362 -1.0 . . . . ?
C360 C361 C362 C357 0.3 . . . . ?
C358 C357 C362 C361 0.4 . . . . ?
C256 C357 C362 C361 173.1(14) . . . . ?
