#------------------------------------------------------------------------------
#$Date: 2020-04-05 13:49:12 +0300 (Sun, 05 Apr 2020) $
#$Revision: 250286 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/36/7703632.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_7703632
loop_
_publ_author_name
'Maliszewska, Hanna K.'
'Hughes, David L.'
'Muñoz, María Paz'
_publ_section_title
;
 Allene-derived gold and platinum complexes: synthesis and first
 applications in catalysis.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4034
_journal_page_last               4038
_journal_paper_doi               10.1039/d0dt00665c
_journal_volume                  49
_journal_year                    2020
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C25 H26 Au Cl N2'
_chemical_formula_structural
'[Au Cl (C8H3N-Ph-1,-C5H3N-Me-1,-tBu-3,-Me-7)]'
_chemical_formula_sum            'C25 H26 Au Cl N2'
_chemical_formula_weight         586.89
_space_group_crystal_system      tetragonal
_space_group_IT_number           76
_space_group_name_Hall           'P 4w'
_space_group_name_H-M_alt        'P 41'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-12-19 deposited with the CCDC.	2020-02-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.03923(5)
_cell_length_b                   10.03923(5)
_cell_length_c                   21.99014(18)
_cell_measurement_reflns_used    65412
_cell_measurement_temperature    100.01(10)
_cell_measurement_theta_max      33.9940
_cell_measurement_theta_min      2.2110
_cell_volume                     2216.30(2)
_computing_cell_refinement       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_collection       'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_data_reduction        'CrysAlisPro 1.171.40.57a (Rigaku OD, 2019)'
_computing_molecular_graphics    'ORTEP (Johnson, 1976 and Farrugia, 2012)'
_computing_publication_material
'SHELXL-2018/3 (Sheldrick, 2015b) and WINGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2015b)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015a)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100.01(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'ω scans'
_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  0.0359
_diffrn_reflns_av_unetI/netI     0.0147
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            84333
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.990
_diffrn_reflns_theta_min         2.029
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    6.772
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.48497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.57a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.759
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1144
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.607
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.064
_refine_ls_abs_structure_details
;
 Flack x determined using 2969 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.0125(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.087
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         6451
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.087
_refine_ls_R_factor_all          0.0138
_refine_ls_R_factor_gt           0.0130
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0127P)²+1.1843P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0289
_refine_ls_wR_factor_ref         0.0291
_reflns_Friedel_coverage         0.953
_reflns_Friedel_fraction_full    1.000
_reflns_Friedel_fraction_max     1.000
_reflns_number_gt                6283
_reflns_number_total             6451
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt00665c3.cif
_cod_data_source_block           hannad6
_cod_depositor_comments
'Adding full bibliography for 7703630--7703634.cif.'
_cod_original_cell_volume        2216.28(2)
_cod_database_code               7703632
_shelx_shelxl_version_number     2018/3
_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.
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y, x, z+1/4'
'y, -x, z+3/4'
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
Au Au 0.40039(2) -0.06339(2) 0.44653(2) 0.01034(3) Uani 1 1 d . . . . .
Cl Cl 0.20221(7) -0.17600(8) 0.43329(3) 0.01784(15) Uani 1 1 d . . . . .
N1 N 0.7451(2) 0.1424(2) 0.51137(11) 0.0110(4) Uani 1 1 d . . . . .
C2 C 0.7992(3) 0.0784(3) 0.46207(12) 0.0111(5) Uani 1 1 d . . . . .
C3 C 0.9381(3) 0.0776(3) 0.45549(14) 0.0147(6) Uani 1 1 d . . . . .
H3 H 0.977493 0.036492 0.422141 0.018 Uiso 1 1 calc R U . . .
C4 C 1.0156(3) 0.1389(3) 0.49927(16) 0.0195(6) Uani 1 1 d . . . . .
H4 H 1.107979 0.134561 0.496629 0.023 Uiso 1 1 calc R U . . .
C5 C 0.9566(3) 0.2068(3) 0.54706(15) 0.0188(6) Uani 1 1 d . . . . .
H5 H 1.009672 0.251241 0.575178 0.023 Uiso 1 1 calc R U . . .
C6 C 0.8190(3) 0.2092(3) 0.55336(14) 0.0166(6) Uani 1 1 d . . . . .
C7 C 0.7553(4) 0.2791(4) 0.60556(17) 0.0286(8) Uani 1 1 d . . . . .
H7A H 0.677624 0.325777 0.591655 0.043 Uiso 1 1 calc R U . . .
H7B H 0.817232 0.341468 0.622780 0.043 Uiso 1 1 calc R U . . .
H7C H 0.730094 0.215101 0.635876 0.043 Uiso 1 1 calc R U . . .
C8 C 0.6950(3) 0.0120(3) 0.42729(12) 0.0106(5) Uani 1 1 d . . . . .
C9 C 0.5768(3) 0.0253(3) 0.45757(12) 0.0102(6) Uani 1 1 d . . . . .
C10 C 0.5976(3) 0.1130(3) 0.51409(13) 0.0104(5) Uani 1 1 d . . . . .
C11 C 0.7263(3) -0.0609(3) 0.36799(14) 0.0137(6) Uani 1 1 d . . . . .
C12 C 0.7898(3) 0.0363(4) 0.32217(15) 0.0193(6) Uani 1 1 d . . . . .
H12A H 0.809211 -0.010051 0.285030 0.029 Uiso 1 1 calc R U . . .
H12B H 0.728927 0.107885 0.314012 0.029 Uiso 1 1 calc R U . . .
H12C H 0.870696 0.071659 0.338908 0.029 Uiso 1 1 calc R U . . .
C13 C 0.8199(3) -0.1800(3) 0.37948(16) 0.0212(7) Uani 1 1 d . . . . .
H13A H 0.838177 -0.224249 0.341676 0.032 Uiso 1 1 calc R U . . .
H13B H 0.901767 -0.148751 0.396916 0.032 Uiso 1 1 calc R U . . .
H13C H 0.777963 -0.241326 0.406989 0.032 Uiso 1 1 calc R U . . .
C14 C 0.6009(3) -0.1162(3) 0.33755(15) 0.0175(6) Uani 1 1 d . . . . .
H14A H 0.624999 -0.161087 0.300588 0.026 Uiso 1 1 calc R U . . .
H14B H 0.557992 -0.177985 0.364518 0.026 Uiso 1 1 calc R U . . .
H14C H 0.541071 -0.044379 0.328433 0.026 Uiso 1 1 calc R U . . .
C21 C 0.5724(3) 0.0341(3) 0.57283(13) 0.0117(5) Uani 1 1 d . . . . .
C22 C 0.6298(3) -0.0922(3) 0.57747(15) 0.0179(6) Uani 1 1 d . . . . .
H22 H 0.674637 -0.128348 0.544346 0.021 Uiso 1 1 calc R U . . .
C23 C 0.6204(4) -0.1641(4) 0.63121(17) 0.0228(7) Uani 1 1 d . . . . .
H23 H 0.661988 -0.246553 0.634371 0.027 Uiso 1 1 calc R U . . .
C24 C 0.5495(3) -0.1140(3) 0.68013(15) 0.0224(7) Uani 1 1 d . . . . .
H24 H 0.542849 -0.162506 0.716046 0.027 Uiso 1 1 calc R U . . .
C25 C 0.4891(4) 0.0084(4) 0.67487(15) 0.0224(7) Uani 1 1 d . . . . .
H25 H 0.439607 0.041495 0.707255 0.027 Uiso 1 1 calc R U . . .
C26 C 0.5007(3) 0.0834(3) 0.62217(15) 0.0175(6) Uani 1 1 d . . . . .
H26 H 0.460579 0.166676 0.619772 0.021 Uiso 1 1 calc R U . . .
C31 C 0.5149(3) 0.2403(3) 0.50643(13) 0.0127(5) Uani 1 1 d . . . . .
N32 N 0.5775(3) 0.3489(3) 0.48616(16) 0.0283(7) Uani 1 1 d . . . . .
C33 C 0.5047(4) 0.4611(4) 0.4768(2) 0.0345(10) Uani 1 1 d . . . . .
C34 C 0.3690(4) 0.4664(3) 0.48759(16) 0.0217(7) Uani 1 1 d . . . . .
H34 H 0.321561 0.544500 0.480690 0.026 Uiso 1 1 calc R U . . .
C35 C 0.3053(3) 0.3541(3) 0.50866(16) 0.0195(6) Uani 1 1 d . . . . .
H35 H 0.214348 0.355742 0.516760 0.023 Uiso 1 1 calc R U . . .
C36 C 0.3785(3) 0.2382(3) 0.51769(15) 0.0157(6) Uani 1 1 d . . . . .
H36 H 0.337090 0.160629 0.531021 0.019 Uiso 1 1 calc R U . . .
C37 C 0.5783(6) 0.5822(5) 0.4550(5) 0.099(4) Uani 1 1 d . . . . .
H37A H 0.656132 0.595565 0.479654 0.149 Uiso 1 1 calc R U . . .
H37B H 0.521413 0.658777 0.458049 0.149 Uiso 1 1 calc R U . . .
H37C H 0.604478 0.569740 0.413418 0.149 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
C9 Au Cl 177.11(9) . . ?
C6 N1 C2 123.4(3) . . ?
C6 N1 C10 127.1(2) . . ?
C2 N1 C10 109.1(2) . . ?
N1 C2 C3 118.6(3) . . ?
N1 C2 C8 110.2(2) . . ?
C3 C2 C8 131.1(3) . . ?
C4 C3 C2 119.1(3) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 120.4(3) . . ?
C3 C4 H4 119.8 . . ?
C5 C4 H4 119.8 . . ?
C4 C5 C6 120.6(3) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
N1 C6 C5 117.8(3) . . ?
N1 C6 C7 121.4(3) . . ?
C5 C6 C7 120.8(3) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C9 C8 C2 108.8(2) . . ?
C9 C8 C11 129.9(3) . . ?
C2 C8 C11 121.3(2) . . ?
C8 C9 C10 109.4(2) . . ?
C8 C9 Au 131.8(2) . . ?
C10 C9 Au 118.32(19) . . ?
N1 C10 C31 111.3(2) . . ?
N1 C10 C21 107.2(2) . . ?
C31 C10 C21 115.7(2) . . ?
N1 C10 C9 102.3(2) . . ?
C31 C10 C9 108.3(2) . . ?
C21 C10 C9 111.2(2) . . ?
C8 C11 C14 112.2(2) . . ?
C8 C11 C12 109.9(2) . . ?
C14 C11 C12 106.5(3) . . ?
C8 C11 C13 110.9(3) . . ?
C14 C11 C13 106.9(3) . . ?
C12 C11 C13 110.3(3) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C26 C21 C22 118.6(3) . . ?
C26 C21 C10 123.8(3) . . ?
C22 C21 C10 117.5(3) . . ?
C23 C22 C21 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C21 C22 H22 119.8 . . ?
C24 C23 C22 120.5(3) . . ?
C24 C23 H23 119.7 . . ?
C22 C23 H23 119.7 . . ?
C25 C24 C23 119.0(3) . . ?
C25 C24 H24 120.5 . . ?
C23 C24 H24 120.5 . . ?
C24 C25 C26 121.2(3) . . ?
C24 C25 H25 119.4 . . ?
C26 C25 H25 119.4 . . ?
C25 C26 C21 120.1(3) . . ?
C25 C26 H26 120.0 . . ?
C21 C26 H26 120.0 . . ?
N32 C31 C36 122.4(3) . . ?
N32 C31 C10 117.5(3) . . ?
C36 C31 C10 120.0(3) . . ?
C31 N32 C33 118.3(3) . . ?
N32 C33 C34 122.4(3) . . ?
N32 C33 C37 117.0(4) . . ?
C34 C33 C37 120.5(3) . . ?
C35 C34 C33 118.9(3) . . ?
C35 C34 H34 120.5 . . ?
C33 C34 H34 120.5 . . ?
C34 C35 C36 119.2(3) . . ?
C34 C35 H35 120.4 . . ?
C36 C35 H35 120.4 . . ?
C35 C36 C31 118.8(3) . . ?
C35 C36 H36 120.6 . . ?
C31 C36 H36 120.6 . . ?
C33 C37 H37A 109.5 . . ?
C33 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C33 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au C9 1.997(3) . ?
Au Cl 2.3068(7) . ?
N1 C6 1.362(4) . ?
N1 C2 1.372(4) . ?
N1 C10 1.510(4) . ?
C2 C3 1.402(4) . ?
C2 C8 1.458(4) . ?
C3 C4 1.383(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.386(5) . ?
C4 H4 0.9300 . ?
C5 C6 1.388(4) . ?
C5 H5 0.9300 . ?
C6 C7 1.489(5) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.367(4) . ?
C8 C11 1.528(4) . ?
C9 C10 1.537(4) . ?
C10 C31 1.534(4) . ?
C10 C21 1.536(4) . ?
C11 C14 1.530(4) . ?
C11 C12 1.541(4) . ?
C11 C13 1.542(5) . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C21 C26 1.393(4) . ?
C21 C22 1.396(4) . ?
C22 C23 1.388(5) . ?
C22 H22 0.9300 . ?
C23 C24 1.384(5) . ?
C23 H23 0.9300 . ?
C24 C25 1.375(5) . ?
C24 H24 0.9300 . ?
C25 C26 1.387(5) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C31 N32 1.335(4) . ?
C31 C36 1.392(4) . ?
N32 C33 1.358(5) . ?
C33 C34 1.384(5) . ?
C33 C37 1.502(6) . ?
C34 C35 1.376(5) . ?
C34 H34 0.9300 . ?
C35 C36 1.391(4) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
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
C5 H5 Cl 0.93 2.95 3.719(3) 141.4 3_655 yes
C7 H7A N32 0.96 2.54 3.251(5) 131.1 . 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
C6 N1 C2 C3 2.3(4) . . . . ?
C10 N1 C2 C3 -171.6(3) . . . . ?
C6 N1 C2 C8 177.7(3) . . . . ?
C10 N1 C2 C8 3.8(3) . . . . ?
N1 C2 C3 C4 1.2(4) . . . . ?
C8 C2 C3 C4 -173.1(3) . . . . ?
C2 C3 C4 C5 -3.8(5) . . . . ?
C3 C4 C5 C6 3.0(5) . . . . ?
C2 N1 C6 C5 -3.0(5) . . . . ?
C10 N1 C6 C5 169.8(3) . . . . ?
C2 N1 C6 C7 178.9(3) . . . . ?
C10 N1 C6 C7 -8.3(5) . . . . ?
C4 C5 C6 N1 0.3(5) . . . . ?
C4 C5 C6 C7 178.4(3) . . . . ?
N1 C2 C8 C9 -4.9(3) . . . . ?
C3 C2 C8 C9 169.8(3) . . . . ?
N1 C2 C8 C11 176.7(3) . . . . ?
C3 C2 C8 C11 -8.7(5) . . . . ?
C2 C8 C9 C10 3.8(3) . . . . ?
C11 C8 C9 C10 -177.9(3) . . . . ?
C2 C8 C9 Au -167.7(2) . . . . ?
C11 C8 C9 Au 10.6(5) . . . . ?
C6 N1 C10 C31 69.5(4) . . . . ?
C2 N1 C10 C31 -116.9(3) . . . . ?
C6 N1 C10 C21 -58.0(4) . . . . ?
C2 N1 C10 C21 115.7(3) . . . . ?
C6 N1 C10 C9 -175.0(3) . . . . ?
C2 N1 C10 C9 -1.4(3) . . . . ?
C8 C9 C10 N1 -1.6(3) . . . . ?
Au C9 C10 N1 171.25(17) . . . . ?
C8 C9 C10 C31 116.1(3) . . . . ?
Au C9 C10 C31 -71.1(3) . . . . ?
C8 C9 C10 C21 -115.7(3) . . . . ?
Au C9 C10 C21 57.1(3) . . . . ?
C9 C8 C11 C14 5.1(4) . . . . ?
C2 C8 C11 C14 -176.8(3) . . . . ?
C9 C8 C11 C12 123.4(3) . . . . ?
C2 C8 C11 C12 -58.5(4) . . . . ?
C9 C8 C11 C13 -114.4(3) . . . . ?
C2 C8 C11 C13 63.7(4) . . . . ?
N1 C10 C21 C26 112.5(3) . . . . ?
C31 C10 C21 C26 -12.4(4) . . . . ?
C9 C10 C21 C26 -136.5(3) . . . . ?
N1 C10 C21 C22 -64.8(3) . . . . ?
C31 C10 C21 C22 170.4(3) . . . . ?
C9 C10 C21 C22 46.3(3) . . . . ?
C26 C21 C22 C23 -2.8(5) . . . . ?
C10 C21 C22 C23 174.6(3) . . . . ?
C21 C22 C23 C24 2.6(5) . . . . ?
C22 C23 C24 C25 -0.4(5) . . . . ?
C23 C24 C25 C26 -1.6(5) . . . . ?
C24 C25 C26 C21 1.2(5) . . . . ?
C22 C21 C26 C25 1.0(5) . . . . ?
C10 C21 C26 C25 -176.3(3) . . . . ?
N1 C10 C31 N32 13.8(4) . . . . ?
C21 C10 C31 N32 136.5(3) . . . . ?
C9 C10 C31 N32 -97.9(3) . . . . ?
N1 C10 C31 C36 -169.2(3) . . . . ?
C21 C10 C31 C36 -46.6(4) . . . . ?
C9 C10 C31 C36 79.0(3) . . . . ?
C36 C31 N32 C33 0.5(5) . . . . ?
C10 C31 N32 C33 177.4(3) . . . . ?
C31 N32 C33 C34 0.0(7) . . . . ?
C31 N32 C33 C37 179.0(6) . . . . ?
N32 C33 C34 C35 0.2(7) . . . . ?
C37 C33 C34 C35 -178.8(6) . . . . ?
C33 C34 C35 C36 -0.9(6) . . . . ?
C34 C35 C36 C31 1.5(5) . . . . ?
N32 C31 C36 C35 -1.3(5) . . . . ?
C10 C31 C36 C35 -178.1(3) . . . . ?
