#------------------------------------------------------------------------------
#$Date: 2023-12-07 13:52:37 +0200 (Thu, 07 Dec 2023) $
#$Revision: 288153 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/29/2022910.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2022910
loop_
_publ_author_name
'Döring, Cindy'
'Jones, Peter G.'
_publ_section_title
;
 Crystal structures of five halido gold complexes involving piperidine or
 pyrrolidine as ligands or (protonated) as cations.
;
_journal_coeditor_code           YZ2040
_journal_issue                   'Pt 11'
_journal_name_full
'Acta crystallographica. Section E, Crystallographic communications'
_journal_page_first              1017
_journal_page_last               1027
_journal_paper_doi               10.1107/S205698902300854X
_journal_volume                  79
_journal_year                    2023
_chemical_formula_iupac          '[Au Br (C4 H9 N)], [Au (C4 H9 N)2] Br'
_chemical_formula_moiety         'C4 H9 Au Br N, C8 H18 Au N2 +, Br -'
_chemical_formula_sum            'C12 H27 Au2 Br2 N3'
_chemical_formula_weight         767.12
_chemical_name_systematic
;
Bromido(pyrrolidine-κN)gold(I)
bis(pyrrolidine-κN)gold(I) bromide
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2019/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   14.8040(11)
_cell_length_b                   12.4631(6)
_cell_length_c                   19.4486(8)
_cell_measurement_reflns_used    7080
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.3130
_cell_measurement_theta_min      2.5070
_cell_volume                     3588.3(4)
_computing_cell_refinement
;
CrysAlisPro, Version 1.171.36.28 (Agilent, 2014)
;
_computing_data_collection
;
CrysAlisPro, Version 1.171.36.28 (Agilent, 2014)
;
_computing_data_reduction
;
CrysAlisPro, Version 1.171.36.28 (Agilent, 2014)
;
_computing_molecular_graphics
;
Siemens XP (Siemens, 1994)
;
_computing_publication_material
;
SHELXL2018/3 (Sheldrick, 2015)
;
_computing_structure_refinement
;
SHELXL2018/3 (Sheldrick, 2015)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.1419
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1428
_diffrn_reflns_av_unetI/netI     0.0374
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            129826
_diffrn_reflns_theta_full        28.000
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.094
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    20.782
_exptl_absorpt_correction_T_max  0.8191
_exptl_absorpt_correction_T_min  0.2872
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(CrysAlisPro; Agilent, 2014)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.840
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2784
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.01
_refine_diff_density_max         7.824
_refine_diff_density_min         -2.447
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         4461
_refine_ls_number_restraints     90
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0601P)²+57.3562P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1161
_refine_ls_wR_factor_ref         0.1298
_reflns_number_gt                3055
_reflns_number_total             4461
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            yz2040sup1.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 2022910--2022914.cif.'
_cod_original_cell_volume        3588.3(3)
_cod_database_code               2022910
_cod_database_fobs_code          2022910
_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   0.287
_shelx_estimated_absorpt_t_max   0.819
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z-1/2'
'-x-1/2, y-1/2, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.22755(3) 0.62223(3) 0.35070(2) 0.01738(12) Uani d 1 . .
Au Au2 0.24402(3) 0.37177(3) 0.36733(2) 0.02106(13) Uani d 1 . .
Br Br1 0.24081(9) 0.62289(10) 0.47285(6) 0.0319(3) Uani d 1 . .
Br Br2 0.47574(7) 0.62096(9) 0.29066(7) 0.0265(3) Uani d 1 . .
N N11 0.2072(6) 0.6225(7) 0.2457(5) 0.0198(18) Uani d 1 . .
H H01 0.154(5) 0.613(8) 0.238(5) 0.00(3) Uiso d 1 . .
C C12 0.2422(9) 0.7142(9) 0.2053(6) 0.024(3) Uani d 1 . .
H H12A 0.306033 0.728819 0.217289 0.029 Uiso calc 1 . .
H H12B 0.206137 0.779540 0.214322 0.029 Uiso calc 1 . .
C C13 0.2342(13) 0.6814(11) 0.1315(7) 0.051(4) Uani d 1 . .
H H13A 0.285701 0.709593 0.104528 0.061 Uiso calc 1 . .
H H13B 0.177388 0.709107 0.111426 0.061 Uiso calc 1 . .
C C14 0.2346(11) 0.5599(10) 0.1315(7) 0.042(4) Uani d 1 . .
H H14A 0.178228 0.531639 0.110969 0.051 Uiso calc 1 . .
H H14B 0.286700 0.532125 0.105008 0.051 Uiso calc 1 . .
C C15 0.2417(10) 0.5284(9) 0.2057(7) 0.030(4) Uani d 1 . .
H H15A 0.204779 0.463819 0.215090 0.036 Uiso calc 1 . .
H H15B 0.305281 0.512831 0.218052 0.036 Uiso calc 1 . .
N N21 0.3785(7) 0.3993(7) 0.3701(5) 0.026(2) Uani d 1 . .
H H02 0.396(7) 0.459(7) 0.359(6) 0.01(3) Uiso d 1 . .
C C22 0.4148(9) 0.3975(12) 0.4418(6) 0.040(3) Uani d 1 . .
H H22A 0.397647 0.330468 0.465778 0.047 Uiso calc 1 . .
H H22B 0.392387 0.459598 0.468609 0.047 Uiso calc 1 . .
C C23 0.5151(9) 0.4038(11) 0.4319(8) 0.046(4) Uani d 1 . .
H H23A 0.547490 0.373081 0.471874 0.055 Uiso calc 1 . .
H H23B 0.534842 0.479034 0.425349 0.055 Uiso calc 1 . .
C C24 0.5321(8) 0.3377(11) 0.3674(8) 0.046(4) Uani d 1 . .
H H24A 0.575759 0.374322 0.336788 0.056 Uiso calc 1 . .
H H24B 0.556329 0.266040 0.379409 0.056 Uiso calc 1 . .
C C25 0.4417(8) 0.3276(11) 0.3330(7) 0.038(3) Uani d 1 . .
H H25A 0.446156 0.348998 0.284058 0.046 Uiso calc 1 . .
H H25B 0.420235 0.252415 0.335148 0.046 Uiso calc 1 . .
N N31 0.1091(8) 0.3412(8) 0.3728(6) 0.033(2) Uani d 1 . .
H H03 0.105(11) 0.278(7) 0.362(8) 0.05(5) Uiso d 1 . .
C C32 0.0779(10) 0.3300(13) 0.4453(7) 0.050(3) Uani d 1 . .
H H32A 0.094769 0.259062 0.464201 0.060 Uiso calc 0.64(2) A 1
H H32B 0.104374 0.386778 0.474678 0.060 Uiso calc 0.64(2) A 1
H H32C 0.028784 0.276281 0.448143 0.060 Uiso calc 0.36(2) A 2
H H32D 0.128372 0.305867 0.474869 0.060 Uiso calc 0.36(2) A 2
C C33 -0.0217(12) 0.341(2) 0.4413(11) 0.051(6) Uani d 0.64(2) A 1
H H33A -0.044827 0.379924 0.482176 0.061 Uiso calc 0.64(2) A 1
H H33B -0.050730 0.269918 0.439248 0.061 Uiso calc 0.64(2) A 1
C C34 -0.0420(11) 0.404(2) 0.3768(13) 0.058(8) Uani d 0.64(2) A 1
H H34A -0.083197 0.363328 0.346441 0.070 Uiso calc 0.64(2) A 1
H H34B -0.070657 0.473716 0.388309 0.070 Uiso calc 0.64(2) A 1
C C35 0.0453(8) 0.4212(10) 0.3433(7) 0.032(3) Uani d 1 . .
H H35A 0.067222 0.494943 0.352072 0.039 Uiso calc 0.64(2) A 1
H H35B 0.039676 0.410829 0.293019 0.039 Uiso calc 0.64(2) A 1
H H35C -0.006657 0.384712 0.321348 0.039 Uiso calc 0.36(2) A 2
H H35D 0.075975 0.466200 0.308490 0.039 Uiso calc 0.36(2) A 2
C C33' 0.045(4) 0.435(3) 0.4683(12) 0.072(17) Uiso d 0.36(2) A 2
H H33C 0.094119 0.476047 0.490651 0.087 Uiso calc 0.36(2) A 2
H H33D -0.005492 0.426470 0.501145 0.087 Uiso calc 0.36(2) A 2
C C34' 0.014(2) 0.488(2) 0.4031(12) 0.035(10) Uiso d 0.36(2) A 2
H H34C -0.052331 0.494791 0.402725 0.042 Uiso calc 0.36(2) A 2
H H34D 0.040500 0.561337 0.399837 0.042 Uiso calc 0.36(2) 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'
N N 0.0061 0.0033 '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'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N11 Au1 Br1 . . 176.3(3) y
N11 Au1 Au2 . . 96.6(2) ?
Br1 Au1 Au2 . . 83.95(3) ?
N11 Au1 Au2 . 8_665 96.8(2) ?
Br1 Au1 Au2 . 8_665 83.31(3) ?
Au2 Au1 Au2 . 8_665 163.074(19) y
N21 Au2 N31 . . 175.4(4) y
N21 Au2 Au1 . . 84.9(2) ?
N31 Au2 Au1 . . 96.6(3) ?
N21 Au2 Au1 . 8_655 92.2(2) ?
N31 Au2 Au1 . 8_655 87.2(3) ?
Au1 Au2 Au1 . 8_655 167.78(2) y
C12 N11 C15 . . 102.1(8) ?
C12 N11 Au1 . . 118.3(7) ?
C15 N11 Au1 . . 117.5(7) ?
C12 N11 H01 . . 111(7) ?
C15 N11 H01 . . 97(7) ?
Au1 N11 H01 . . 109(8) ?
N11 C12 C13 . . 105.7(9) ?
N11 C12 H12A . . 110.6 ?
C13 C12 H12A . . 110.6 ?
N11 C12 H12B . . 110.6 ?
C13 C12 H12B . . 110.6 ?
H12A C12 H12B . . 108.7 ?
C12 C13 C14 . . 105.9(11) ?
C12 C13 H13A . . 110.6 ?
C14 C13 H13A . . 110.6 ?
C12 C13 H13B . . 110.6 ?
C14 C13 H13B . . 110.6 ?
H13A C13 H13B . . 108.7 ?
C15 C14 C13 . . 105.2(10) ?
C15 C14 H14A . . 110.7 ?
C13 C14 H14A . . 110.7 ?
C15 C14 H14B . . 110.7 ?
C13 C14 H14B . . 110.7 ?
H14A C14 H14B . . 108.8 ?
N11 C15 C14 . . 105.7(9) ?
N11 C15 H15A . . 110.6 ?
C14 C15 H15A . . 110.6 ?
N11 C15 H15B . . 110.6 ?
C14 C15 H15B . . 110.6 ?
H15A C15 H15B . . 108.7 ?
C25 N21 C22 . . 102.6(9) ?
C25 N21 Au2 . . 120.5(7) ?
C22 N21 Au2 . . 112.1(8) ?
C25 N21 H02 . . 103(8) ?
C22 N21 H02 . . 98(8) ?
Au2 N21 H02 . . 117(8) ?
N21 C22 C23 . . 103.6(10) ?
N21 C22 H22A . . 111.0 ?
C23 C22 H22A . . 111.0 ?
N21 C22 H22B . . 111.0 ?
C23 C22 H22B . . 111.0 ?
H22A C22 H22B . . 109.0 ?
C22 C23 C24 . . 103.9(10) ?
C22 C23 H23A . . 111.0 ?
C24 C23 H23A . . 111.0 ?
C22 C23 H23B . . 111.0 ?
C24 C23 H23B . . 111.0 ?
H23A C23 H23B . . 109.0 ?
C25 C24 C23 . . 105.4(10) ?
C25 C24 H24A . . 110.7 ?
C23 C24 H24A . . 110.7 ?
C25 C24 H24B . . 110.7 ?
C23 C24 H24B . . 110.7 ?
H24A C24 H24B . . 108.8 ?
N21 C25 C24 . . 107.2(9) ?
N21 C25 H25A . . 110.3 ?
C24 C25 H25A . . 110.3 ?
N21 C25 H25B . . 110.3 ?
C24 C25 H25B . . 110.3 ?
H25A C25 H25B . . 108.5 ?
C35 N31 C32 . . 103.3(9) ?
C35 N31 Au2 . . 118.5(8) ?
C32 N31 Au2 . . 111.8(9) ?
C35 N31 H03 . . 119(10) ?
C32 N31 H03 . . 98(10) ?
Au2 N31 H03 . . 104(10) ?
C33' C32 N31 . . 108.0(14) ?
C33 C32 N31 . . 104.4(11) ?
C33 C32 H32A . . 110.9 ?
N31 C32 H32A . . 110.9 ?
C33 C32 H32B . . 110.9 ?
N31 C32 H32B . . 110.9 ?
H32A C32 H32B . . 108.9 ?
C33' C32 H32C . . 110.1 ?
N31 C32 H32C . . 110.1 ?
C33' C32 H32D . . 110.1 ?
N31 C32 H32D . . 110.1 ?
H32C C32 H32D . . 108.4 ?
C32 C33 C34 . . 107.0(13) ?
C32 C33 H33A . . 110.3 ?
C34 C33 H33A . . 110.3 ?
C32 C33 H33B . . 110.3 ?
C34 C33 H33B . . 110.3 ?
H33A C33 H33B . . 108.6 ?
C35 C34 C33 . . 105.6(12) ?
C35 C34 H34A . . 110.6 ?
C33 C34 H34A . . 110.6 ?
C35 C34 H34B . . 110.6 ?
C33 C34 H34B . . 110.6 ?
H34A C34 H34B . . 108.7 ?
C34 C35 N31 . . 107.0(11) ?
N31 C35 C34' . . 105.6(12) ?
C34 C35 H35A . . 110.3 ?
N31 C35 H35A . . 110.3 ?
C34 C35 H35B . . 110.3 ?
N31 C35 H35B . . 110.3 ?
H35A C35 H35B . . 108.6 ?
N31 C35 H35C . . 110.6 ?
C34' C35 H35C . . 110.6 ?
N31 C35 H35D . . 110.6 ?
C34' C35 H35D . . 110.6 ?
H35C C35 H35D . . 108.8 ?
C32 C33' C34' . . 103.8(15) ?
C32 C33' H33C . . 111.0 ?
C34' C33' H33C . . 111.0 ?
C32 C33' H33D . . 111.0 ?
C34' C33' H33D . . 111.0 ?
H33C C33' H33D . . 109.0 ?
C35 C34' C33' . . 108.1(14) ?
C35 C34' H34C . . 110.1 ?
C33' C34' H34C . . 110.1 ?
C35 C34' H34D . . 110.1 ?
C33' C34' H34D . . 110.1 ?
H34C C34' H34D . . 108.4 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 N11 . 2.065(9) y
Au1 Br1 . 2.3837(12) y
Au1 Au2 . 3.1476(6) y
Au1 Au2 8_665 3.1551(6) y
Au2 N21 . 2.021(11) y
Au2 N31 . 2.036(12) y
N11 C12 . 1.480(12) ?
N11 C15 . 1.497(12) ?
N11 H01 . 0.81(7) ?
C12 C13 . 1.496(16) ?
C12 H12A . 0.9900 ?
C12 H12B . 0.9900 ?
C13 C14 . 1.514(17) ?
C13 H13A . 0.9900 ?
C13 H13B . 0.9900 ?
C14 C15 . 1.500(16) ?
C14 H14A . 0.9900 ?
C14 H14B . 0.9900 ?
C15 H15A . 0.9900 ?
C15 H15B . 0.9900 ?
N21 C25 . 1.481(13) ?
N21 C22 . 1.496(12) ?
N21 H02 . 0.81(7) ?
C22 C23 . 1.500(15) ?
C22 H22A . 0.9900 ?
C22 H22B . 0.9900 ?
C23 C24 . 1.523(17) ?
C23 H23A . 0.9900 ?
C23 H23B . 0.9900 ?
C24 C25 . 1.501(15) ?
C24 H24A . 0.9900 ?
C24 H24B . 0.9900 ?
C25 H25A . 0.9900 ?
C25 H25B . 0.9900 ?
N31 C35 . 1.488(13) ?
N31 C32 . 1.490(14) ?
N31 H03 . 0.81(7) ?
C32 C33' . 1.460(19) ?
C32 C33 . 1.483(17) ?
C32 H32A . 0.9900 ?
C32 H32B . 0.9900 ?
C32 H32C . 0.9900 ?
C32 H32D . 0.9900 ?
C33 C34 . 1.508(19) ?
C33 H33A . 0.9900 ?
C33 H33B . 0.9900 ?
C34 C35 . 1.463(17) ?
C34 H34A . 0.9900 ?
C34 H34B . 0.9900 ?
C35 C34' . 1.504(18) ?
C35 H35A . 0.9900 ?
C35 H35B . 0.9900 ?
C35 H35C . 0.9900 ?
C35 H35D . 0.9900 ?
C33' C34' . 1.51(2) ?
C33' H33C . 0.9900 ?
C33' H33D . 0.9900 ?
C34' H34C . 0.9900 ?
C34' H34D . 0.9900 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N11 H01 Br2 6_556 0.81(7) 2.70(7) 3.498(9) 169(9) y
N21 H02 Br2 . 0.81(7) 2.69(8) 3.477(10) 162(11) y
C22 H22B Br1 . 0.99 3.03 3.859(13) 142.0 ?
N31 H03 Br2 8_655 0.81(7) 2.68(10) 3.416(12) 151(14) y
C32 H32A Br1 8_655 0.99 2.97 3.763(14) 137.6 ?
C33 H33A Br1 5_566 0.99 3.03 3.675(18) 123.9 ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
N11 Au1 Au2 N21 . . . . 100.5(4) ?
Br1 Au1 Au2 N21 . . . . -83.2(3) y
Au2 Au1 Au2 N21 8_665 . . . -41.9(3) ?
N11 Au1 Au2 N31 . . . . -83.9(4) ?
Br1 Au1 Au2 N31 . . . . 92.4(3) y
Au2 Au1 Au2 N31 8_665 . . . 133.7(3) ?
N11 Au1 Au2 Au1 . . . 8_655 23.8(3) ?
Br1 Au1 Au2 Au1 . . . 8_655 -159.83(9) ?
Au2 Au1 Au2 Au1 8_665 . . 8_655 -118.48(12) ?
Au2 Au1 N11 C12 . . . . -147.6(8) ?
Au2 Au1 N11 C12 8_665 . . . 22.1(8) ?
Au2 Au1 N11 C15 . . . . -24.3(8) ?
Au2 Au1 N11 C15 8_665 . . . 145.4(8) ?
C15 N11 C12 C13 . . . . 38.1(13) ?
Au1 N11 C12 C13 . . . . 168.8(9) ?
N11 C12 C13 C14 . . . . -24.3(17) ?
C12 C13 C14 C15 . . . . 0.7(19) ?
C12 N11 C15 C14 . . . . -37.7(13) ?
Au1 N11 C15 C14 . . . . -169.0(9) ?
C13 C14 C15 N11 . . . . 22.9(17) ?
Au1 Au2 N21 C25 . . . . -138.4(9) ?
Au1 Au2 N21 C25 8_655 . . . 29.7(9) ?
Au1 Au2 N21 C22 . . . . 100.7(7) ?
Au1 Au2 N21 C22 8_655 . . . -91.2(7) ?
C25 N21 C22 C23 . . . . 41.7(13) ?
Au2 N21 C22 C23 . . . . 172.4(8) ?
N21 C22 C23 C24 . . . . -36.5(14) ?
C22 C23 C24 C25 . . . . 17.2(16) ?
C22 N21 C25 C24 . . . . -31.0(14) ?
Au2 N21 C25 C24 . . . . -156.3(9) ?
C23 C24 C25 N21 . . . . 8.6(16) ?
Au1 Au2 N31 C35 . . . . 22.3(9) ?
Au1 Au2 N31 C35 8_655 . . . -146.0(9) ?
Au1 Au2 N31 C32 . . . . -97.7(8) ?
Au1 Au2 N31 C32 8_655 . . . 94.0(8) ?
C35 N31 C32 C33' . . . . -35(2) ?
Au2 N31 C32 C33' . . . . 94(2) ?
C35 N31 C32 C33 . . . . 34.9(16) ?
Au2 N31 C32 C33 . . . . 163.4(13) ?
N31 C32 C33 C34 . . . . -24(2) ?
C32 C33 C34 C35 . . . . 4(3) ?
C33 C34 C35 N31 . . . . 19(3) ?
C32 N31 C35 C34 . . . . -33.4(18) ?
Au2 N31 C35 C34 . . . . -157.7(15) ?
C32 N31 C35 C34' . . . . 27.0(19) ?
Au2 N31 C35 C34' . . . . -97.3(18) ?
N31 C32 C33' C34' . . . . 28(4) ?
N31 C35 C34' C33' . . . . -11(4) ?
C32 C33' C34' C35 . . . . -10(4) ?
