#------------------------------------------------------------------------------
#$Date: 2017-04-05 12:55:15 +0300 (Wed, 05 Apr 2017) $
#$Revision: 195118 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/19/7041974.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_7041974
loop_
_publ_author_name
'Lozada-Rodríguez, Leticia'
'Pelayo-Vázquez, José B'
'Rangel-Salas, Irma I'
'Alvarado-Rodríguez, José G'
'Peregrina-Lucano, A Aarón'
'Pérez-Centeno, Armando'
'López-Dellamary-Toral, Fernando A'
'Cortes-Llamas, Sara A'
_publ_section_title
;
 From metallic gold to [Au(NHC)2](+) complexes: an easy, one-pot method.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3809
_journal_page_last               3811
_journal_paper_doi               10.1039/c7dt00322f
_journal_volume                  46
_journal_year                    2017
_chemical_formula_moiety         'C30 H48 Au N4, C24 H20 B, 2(C2 H3 N)'
_chemical_formula_sum            'C58 H74 Au B N6'
_chemical_formula_weight         1063.00
_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'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2016-04-07
_audit_creation_method
;
Olex2 1.2
(compiled 2016.02.19 svn.r3266 for OlexSys, GUI svn.r5155)
;
_audit_update_record
;
2016-12-15 deposited with the CCDC.
2017-02-08 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 115.822(5)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.8465(7)
_cell_length_b                   12.1654(3)
_cell_length_c                   24.9606(10)
_cell_measurement_reflns_used    25407
_cell_measurement_temperature    293
_cell_measurement_theta_max      28.3780
_cell_measurement_theta_min      3.6660
_cell_volume                     5424.8(4)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      293
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3659
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_details
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -83.00   18.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172  -57.0000 -120.0000 101

#__ type_ start__ end____ width___ exp.time_
  2 omega  -34.00   64.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172   37.0000   30.0000 98

#__ type_ start__ end____ width___ exp.time_
  3 omega  -34.00   64.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172   37.0000   90.0000 98

#__ type_ start__ end____ width___ exp.time_
  4 omega  -98.00   78.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172    0.0000  -30.0000 176

#__ type_ start__ end____ width___ exp.time_
  5 omega  -25.00   31.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172  -99.0000  120.0000 56

#__ type_ start__ end____ width___ exp.time_
  6 omega  -38.00   63.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172   57.0000 -180.0000 101

#__ type_ start__ end____ width___ exp.time_
  7 omega  -25.00   31.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172  -99.0000    0.0000 56

#__ type_ start__ end____ width___ exp.time_
  8 omega  -46.00   17.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -      -10.1172   88.0000   55.0000 63

#__ type_ start__ end____ width___ exp.time_
  9 omega  -25.00   52.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       11.5235  -99.0000   30.0000 77

#__ type_ start__ end____ width___ exp.time_
 10 omega  -25.00   52.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       11.5235  -99.0000  -60.0000 77

#__ type_ start__ end____ width___ exp.time_
 11 omega  -25.00    6.00   1.0000    7.5000
omega____ theta____ kappa____ phi______ frames
    -       11.5235  -99.0000 -180.0000 31
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0055040000
_diffrn_orient_matrix_UB_12      0.0195632000
_diffrn_orient_matrix_UB_13      0.0283800000
_diffrn_orient_matrix_UB_21      0.0242577000
_diffrn_orient_matrix_UB_22      0.0415193000
_diffrn_orient_matrix_UB_23      -0.0014654000
_diffrn_orient_matrix_UB_31      -0.0309260000
_diffrn_orient_matrix_UB_32      0.0360031000
_diffrn_orient_matrix_UB_33      -0.0137245000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0623
_diffrn_reflns_av_unetI/netI     0.0268
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.994
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            64111
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.994
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         3.339
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    2.753
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.33896
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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    1.302
_exptl_crystal_description       block
_exptl_crystal_F_000             2192
_exptl_crystal_preparation       35-1
_exptl_crystal_recrystallization_method 'acetonitrile and ether'
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.35
_refine_diff_density_max         0.453
_refine_diff_density_min         -0.611
_refine_diff_density_rms         0.060
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     300
_refine_ls_number_reflns         5519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0308
_refine_ls_R_factor_gt           0.0267
_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)+(0.0298P)²+2.9382P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0580
_refine_ls_wR_factor_ref         0.0595
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5138
_reflns_number_total             5519
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c7dt00322f2.cif
_cod_data_source_block           2f_16_351zmo
_cod_depositor_comments
'Adding full bibliography for 7041969--7041974.cif.'
_cod_database_code               7041974
_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 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_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 Ternary CH refined with riding coordinates:
 C4(H4), C10(H10)
2.b Secondary CH2 refined with riding coordinates:
 C5(H5A,H5B), C6(H6A,H6B), C7(H7A,H7B), C8(H8A,H8B), C9(H9A,H9B), C11(H11A,
 H11B), C12(H12A,H12B), C13(H13A,H13B), C14(H14A,H14B), C15(H15A,H15B)
2.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21), C23(H23),
 C24(H24), C25(H25), C26(H26), C27(H27)
2.d Idealised Me refined as rotating group:
 C29(H29A,H29B,H29C)
;
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
Au1 Au 0.0000 0.68541(2) 0.2500 0.03941(6) Uani 1 2 d S T P
N1 N 0.14987(12) 0.6449(2) 0.35552(10) 0.0451(5) Uani 1 1 d . . .
N2 N 0.16266(12) 0.7416(2) 0.28868(11) 0.0491(6) Uani 1 1 d . . .
C1 C 0.11152(14) 0.6889(2) 0.30140(12) 0.0399(6) Uani 1 1 d . . .
C2 C 0.22464(17) 0.6715(3) 0.37708(15) 0.0573(8) Uani 1 1 d . . .
H2 H 0.2625 0.6518 0.4139 0.069 Uiso 1 1 calc R . .
C3 C 0.23241(16) 0.7308(3) 0.33535(15) 0.0609(8) Uani 1 1 d . . .
H3 H 0.2769 0.7596 0.3374 0.073 Uiso 1 1 calc R . .
C4 C 0.11558(15) 0.5816(2) 0.38786(12) 0.0490(7) Uani 1 1 d . . .
H4 H 0.0682 0.5520 0.3579 0.059 Uiso 1 1 calc R . .
C5 C 0.1631(2) 0.4847(3) 0.42039(18) 0.0734(10) Uani 1 1 d . . .
H5A H 0.2113 0.5105 0.4497 0.088 Uiso 1 1 calc R . .
H5B H 0.1714 0.4379 0.3924 0.088 Uiso 1 1 calc R . .
C6 C 0.1248(2) 0.4187(4) 0.4513(2) 0.1018(16) Uani 1 1 d . . .
H6A H 0.0791 0.3864 0.4216 0.122 Uiso 1 1 calc R . .
H6B H 0.1575 0.3594 0.4740 0.122 Uiso 1 1 calc R . .
C7 C 0.1066(3) 0.4902(5) 0.4922(2) 0.116(2) Uani 1 1 d . . .
H7A H 0.1527 0.5164 0.5243 0.139 Uiso 1 1 calc R . .
H7B H 0.0799 0.4474 0.5096 0.139 Uiso 1 1 calc R . .
C8 C 0.0592(3) 0.5875(4) 0.4591(2) 0.1020(15) Uani 1 1 d . . .
H8A H 0.0508 0.6346 0.4870 0.122 Uiso 1 1 calc R . .
H8B H 0.0109 0.5615 0.4299 0.122 Uiso 1 1 calc R . .
C9 C 0.0968(3) 0.6531(3) 0.4281(2) 0.0831(12) Uani 1 1 d . . .
H9A H 0.0637 0.7117 0.4050 0.100 Uiso 1 1 calc R . .
H9B H 0.1422 0.6864 0.4576 0.100 Uiso 1 1 calc R . .
C10 C 0.14570(19) 0.8001(3) 0.23252(16) 0.0603(8) Uani 1 1 d . . .
H10 H 0.0911 0.8033 0.2102 0.072 Uiso 1 1 calc R . .
C11 C 0.1748(4) 0.7393(4) 0.1953(2) 0.139(3) Uani 1 1 d . . .
H11A H 0.1524 0.6667 0.1864 0.166 Uiso 1 1 calc R . .
H11B H 0.2286 0.7304 0.2173 0.166 Uiso 1 1 calc R . .
C12 C 0.1574(5) 0.8000(4) 0.1370(3) 0.142(3) Uani 1 1 d . . .
H12A H 0.1806 0.7614 0.1154 0.170 Uiso 1 1 calc R . .
H12B H 0.1037 0.7999 0.1126 0.170 Uiso 1 1 calc R . .
C13 C 0.1845(3) 0.9138(4) 0.1476(2) 0.0933(14) Uani 1 1 d . . .
H13A H 0.1687 0.9510 0.1096 0.112 Uiso 1 1 calc R . .
H13B H 0.2388 0.9136 0.1671 0.112 Uiso 1 1 calc R . .
C14 C 0.1564(3) 0.9750(3) 0.1846(2) 0.1008(15) Uani 1 1 d . . .
H14A H 0.1027 0.9845 0.1628 0.121 Uiso 1 1 calc R . .
H14B H 0.1792 1.0474 0.1933 0.121 Uiso 1 1 calc R . .
C15 C 0.1738(3) 0.9154(3) 0.24266(19) 0.0866(12) Uani 1 1 d . . .
H15A H 0.2276 0.9149 0.2669 0.104 Uiso 1 1 calc R . .
H15B H 0.1511 0.9548 0.2644 0.104 Uiso 1 1 calc R . .
C16 C 0.46148(15) 0.7795(2) 0.28324(13) 0.0455(6) Uani 1 1 d . . .
C17 C 0.45657(17) 0.7457(3) 0.33502(13) 0.0552(7) Uani 1 1 d . . .
H17 H 0.4769 0.6780 0.3513 0.066 Uiso 1 1 calc R . .
C18 C 0.4232(2) 0.8076(3) 0.36312(16) 0.0679(10) Uani 1 1 d . . .
H18 H 0.4219 0.7817 0.3977 0.082 Uiso 1 1 calc R . .
C19 C 0.39183(19) 0.9080(3) 0.33984(18) 0.0709(10) Uani 1 1 d . . .
H19 H 0.3695 0.9507 0.3586 0.085 Uiso 1 1 calc R . .
C20 C 0.3942(2) 0.9438(3) 0.28858(19) 0.0761(10) Uani 1 1 d . . .
H20 H 0.3729 1.0110 0.2722 0.091 Uiso 1 1 calc R . .
C21 C 0.42785(18) 0.8808(2) 0.26116(16) 0.0607(8) Uani 1 1 d . . .
H21 H 0.4282 0.9071 0.2263 0.073 Uiso 1 1 calc R . .
C22 C 0.56492(16) 0.6251(2) 0.30034(12) 0.0482(7) Uani 1 1 d . . .
C23 C 0.54896(19) 0.5236(2) 0.31851(13) 0.0589(8) Uani 1 1 d . . .
H23 H 0.4999 0.4983 0.3004 0.071 Uiso 1 1 calc R . .
C24 C 0.6021(2) 0.4590(3) 0.36180(15) 0.0777(11) Uani 1 1 d . . .
H24 H 0.5883 0.3918 0.3719 0.093 Uiso 1 1 calc R . .
C25 C 0.6747(3) 0.4933(4) 0.38990(18) 0.0934(13) Uani 1 1 d . . .
H25 H 0.7107 0.4505 0.4194 0.112 Uiso 1 1 calc R . .
C26 C 0.6934(2) 0.5922(4) 0.37359(19) 0.0986(14) Uani 1 1 d . . .
H26 H 0.7427 0.6166 0.3921 0.118 Uiso 1 1 calc R . .
C27 C 0.6395(2) 0.6563(3) 0.32983(17) 0.0720(10) Uani 1 1 d . . .
H27 H 0.6539 0.7229 0.3198 0.086 Uiso 1 1 calc R . .
B1 B 0.5000 0.7018(4) 0.2500 0.0483(11) Uani 1 2 d S T P
N3 N 0.4079(5) 0.6026(6) 0.4923(3) 0.200(4) Uani 1 1 d . . .
C28 C 0.4119(5) 0.5113(8) 0.5074(3) 0.169(3) Uani 1 1 d . . .
C29 C 0.4156(6) 0.3908(6) 0.5236(3) 0.226(5) Uani 1 1 d . . .
H29A H 0.3726 0.3534 0.4946 0.339 Uiso 1 1 calc GR . .
H29B H 0.4164 0.3836 0.5621 0.339 Uiso 1 1 calc GR . .
H29C H 0.4603 0.3590 0.5243 0.339 Uiso 1 1 calc GR . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C1 Au1 C1 177.59(14) 2 .
C1 N1 C2 110.0(2) . .
C1 N1 C4 124.3(2) . .
C2 N1 C4 125.6(2) . .
C1 N2 C3 109.8(2) . .
C1 N2 C10 124.7(2) . .
C3 N2 C10 125.5(2) . .
N1 C1 Au1 128.07(19) . .
N1 C1 N2 105.8(2) . .
N2 C1 Au1 126.10(19) . .
N1 C2 H2 126.5 . .
C3 C2 N1 107.1(3) . .
C3 C2 H2 126.5 . .
N2 C3 H3 126.3 . .
C2 C3 N2 107.4(3) . .
C2 C3 H3 126.3 . .
N1 C4 H4 106.9 . .
N1 C4 C5 111.9(2) . .
N1 C4 C9 111.9(3) . .
C5 C4 H4 106.9 . .
C9 C4 H4 106.9 . .
C9 C4 C5 112.0(3) . .
C4 C5 H5A 109.5 . .
C4 C5 H5B 109.5 . .
C4 C5 C6 110.7(3) . .
H5A C5 H5B 108.1 . .
C6 C5 H5A 109.5 . .
C6 C5 H5B 109.5 . .
C5 C6 H6A 109.4 . .
C5 C6 H6B 109.4 . .
H6A C6 H6B 108.0 . .
C7 C6 C5 111.0(4) . .
C7 C6 H6A 109.4 . .
C7 C6 H6B 109.4 . .
C6 C7 H7A 109.4 . .
C6 C7 H7B 109.4 . .
C6 C7 C8 111.1(4) . .
H7A C7 H7B 108.0 . .
C8 C7 H7A 109.4 . .
C8 C7 H7B 109.4 . .
C7 C8 H8A 109.4 . .
C7 C8 H8B 109.4 . .
C7 C8 C9 111.3(4) . .
H8A C8 H8B 108.0 . .
C9 C8 H8A 109.4 . .
C9 C8 H8B 109.4 . .
C4 C9 C8 111.1(3) . .
C4 C9 H9A 109.4 . .
C4 C9 H9B 109.4 . .
C8 C9 H9A 109.4 . .
C8 C9 H9B 109.4 . .
H9A C9 H9B 108.0 . .
N2 C10 H10 107.4 . .
N2 C10 C11 111.4(3) . .
N2 C10 C15 112.3(3) . .
C11 C10 H10 107.4 . .
C11 C10 C15 110.8(3) . .
C15 C10 H10 107.4 . .
C10 C11 H11A 109.3 . .
C10 C11 H11B 109.3 . .
C10 C11 C12 111.4(4) . .
H11A C11 H11B 108.0 . .
C12 C11 H11A 109.3 . .
C12 C11 H11B 109.3 . .
C11 C12 H12A 109.3 . .
C11 C12 H12B 109.3 . .
H12A C12 H12B 107.9 . .
C13 C12 C11 111.8(5) . .
C13 C12 H12A 109.3 . .
C13 C12 H12B 109.3 . .
C12 C13 H13A 109.1 . .
C12 C13 H13B 109.1 . .
C12 C13 C14 112.3(4) . .
H13A C13 H13B 107.9 . .
C14 C13 H13A 109.1 . .
C14 C13 H13B 109.1 . .
C13 C14 H14A 109.3 . .
C13 C14 H14B 109.3 . .
C13 C14 C15 111.5(3) . .
H14A C14 H14B 108.0 . .
C15 C14 H14A 109.3 . .
C15 C14 H14B 109.3 . .
C10 C15 C14 112.0(4) . .
C10 C15 H15A 109.2 . .
C10 C15 H15B 109.2 . .
C14 C15 H15A 109.2 . .
C14 C15 H15B 109.2 . .
H15A C15 H15B 107.9 . .
C17 C16 B1 122.1(3) . .
C21 C16 C17 114.2(3) . .
C21 C16 B1 123.7(3) . .
C16 C17 H17 118.3 . .
C18 C17 C16 123.5(3) . .
C18 C17 H17 118.3 . .
C17 C18 H18 120.1 . .
C17 C18 C19 119.9(3) . .
C19 C18 H18 120.1 . .
C18 C19 H19 120.6 . .
C20 C19 C18 118.7(3) . .
C20 C19 H19 120.6 . .
C19 C20 H20 119.7 . .
C19 C20 C21 120.5(3) . .
C21 C20 H20 119.7 . .
C16 C21 H21 118.4 . .
C20 C21 C16 123.1(3) . .
C20 C21 H21 118.4 . .
C23 C22 B1 122.5(3) . .
C27 C22 C23 114.1(3) . .
C27 C22 B1 123.4(3) . .
C22 C23 H23 118.2 . .
C24 C23 C22 123.6(3) . .
C24 C23 H23 118.2 . .
C23 C24 H24 119.9 . .
C25 C24 C23 120.3(4) . .
C25 C24 H24 119.9 . .
C24 C25 H25 120.8 . .
C24 C25 C26 118.5(4) . .
C26 C25 H25 120.8 . .
C25 C26 H26 119.7 . .
C25 C26 C27 120.7(4) . .
C27 C26 H26 119.7 . .
C22 C27 C26 122.9(4) . .
C22 C27 H27 118.6 . .
C26 C27 H27 118.6 . .
C16 B1 C16 110.1(3) . 2_655
C22 B1 C16 108.77(14) . .
C22 B1 C16 108.77(14) 2_655 2_655
C22 B1 C16 109.23(14) 2_655 .
C22 B1 C16 109.23(14) . 2_655
C22 B1 C22 110.8(3) 2_655 .
N3 C28 C29 176.9(7) . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29B 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 C1 2.018(3) 2
Au1 C1 2.018(3) .
N1 C1 1.340(3) .
N1 C2 1.379(4) .
N1 C4 1.478(3) .
N2 C1 1.350(3) .
N2 C3 1.373(4) .
N2 C10 1.474(4) .
C2 H2 0.9300 .
C2 C3 1.330(5) .
C3 H3 0.9300 .
C4 H4 0.9800 .
C4 C5 1.507(4) .
C4 C9 1.493(5) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C5 C6 1.526(5) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6 C7 1.500(7) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 C8 1.513(7) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 C9 1.517(5) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 H10 0.9800 .
C10 C11 1.488(6) .
C10 C15 1.491(5) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 C12 1.530(6) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C12 C13 1.468(6) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C13 C14 1.473(6) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 C15 1.519(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.399(4) .
C16 C21 1.396(4) .
C16 B1 1.649(4) .
C17 H17 0.9300 .
C17 C18 1.378(5) .
C18 H18 0.9300 .
C18 C19 1.380(5) .
C19 H19 0.9300 .
C19 C20 1.371(5) .
C20 H20 0.9300 .
C20 C21 1.379(5) .
C21 H21 0.9300 .
C22 C23 1.398(4) .
C22 C27 1.388(5) .
C22 B1 1.643(4) .
C23 H23 0.9300 .
C23 C24 1.380(5) .
C24 H24 0.9300 .
C24 C25 1.365(6) .
C25 H25 0.9300 .
C25 C26 1.373(6) .
C26 H26 0.9300 .
C26 C27 1.388(5) .
C27 H27 0.9300 .
B1 C16 1.649(4) 2_655
B1 C22 1.643(4) 2_655
N3 C28 1.163(10) .
C28 C29 1.514(11) .
C29 H29A 0.9600 .
C29 H29B 0.9600 .
C29 H29C 0.9600 .
