#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179740 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/36/7003642.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_7003642
loop_
_publ_author_name
'Hsu, S. J.'
'Hsu, K. M.'
'Leong, Max K.'
'Lin, Ivan J. B.'
_publ_section_title
;
 Au(i)-benzimidazole/imidazole complexes. Liquid crystals and
 nanomaterials
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              1924
_journal_page_last               1931
_journal_paper_doi               10.1039/b717787a
_journal_year                    2008
_chemical_formula_sum            'C34 H68 Au N5 O5'
_chemical_formula_weight         823.90
_chemical_name_common            (Au(C14-Im)2)(NO3)
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.838(2)
_cell_angle_beta                 92.054(2)
_cell_angle_gamma                101.360(2)
_cell_formula_units_Z            2
_cell_length_a                   8.2729(11)
_cell_length_b                   9.1630(12)
_cell_length_c                   25.254(3)
_cell_measurement_temperature    100(2)
_cell_volume                     1872.5(4)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0573
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            22107
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         0.81
_exptl_absorpt_coefficient_mu    3.973
_exptl_absorpt_correction_T_max  0.97698
_exptl_absorpt_correction_T_min  0.69375
_exptl_absorpt_correction_type   empirical
_exptl_crystal_density_diffrn    1.461
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             852
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         8.494
_refine_diff_density_min         -4.955
_refine_diff_density_rms         0.257
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     406
_refine_ls_number_reflns         9258
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0470
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0783P)²+2.9927P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1231
_refine_ls_wR_factor_ref         0.1293
_reflns_number_gt                8225
_reflns_number_total             9258
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717787a.txt
_cod_data_source_block           jn23m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003642
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.98853(2) 0.751413(18) 0.502004(6) 0.01649(8) Uani 1 1 d . . .
O1 O 0.6360(5) 0.0964(4) 0.54460(18) 0.0345(10) Uani 1 1 d . . .
O2 O 0.6071(5) 0.3238(5) 0.5609(2) 0.0414(11) Uani 1 1 d . . .
O3 O 0.6918(6) 0.2055(6) 0.6221(2) 0.0490(12) Uani 1 1 d . . .
O4 O 0.6546(6) 0.60156(11) 0.60384(11) 0.119(4) Uani 1 1 d D . .
H4B H 0.6506 0.6792 0.5866 0.143 Uiso 1 1 d D . .
H4C H 0.6265 0.5061 0.6005 0.143 Uiso 1 1 d D . .
O5 O 0.5900(4) 0.78294(18) 0.53228(14) 0.0443(12) Uani 1 1 d D . .
H5B H 0.5144 0.7555 0.5078 0.053 Uiso 1 1 d D . .
H5C H 0.6072 0.8735 0.5443 0.053 Uiso 1 1 d D . .
N1 N 1.0797(5) 0.9118(5) 0.55800(16) 0.0156(8) Uani 1 1 d . . .
N2 N 1.1008(5) 1.0845(5) 0.62270(16) 0.0147(8) Uani 1 1 d . . .
N3 N 0.9007(5) 0.5908(4) 0.44571(16) 0.0141(8) Uani 1 1 d . . .
N4 N 0.8912(5) 0.4204(5) 0.38109(16) 0.0139(8) Uani 1 1 d . . .
N5 N 0.6451(5) 0.2022(5) 0.57574(17) 0.0240(10) Uani 1 1 d . . .
C1 C 1.2453(6) 0.9630(6) 0.5720(2) 0.0188(10) Uani 1 1 d . . .
H1A H 1.3347 0.9292 0.5562 0.023 Uiso 1 1 calc R . .
C2 C 1.2589(6) 1.0693(6) 0.6121(2) 0.0182(9) Uani 1 1 d . . .
H2A H 1.3582 1.1230 0.6294 0.022 Uiso 1 1 calc R . .
C3 C 0.9965(6) 0.9882(5) 0.58985(19) 0.0158(9) Uani 1 1 d . . .
H3A H 0.8797 0.9759 0.5893 0.019 Uiso 1 1 calc R . .
C4 C 0.7376(6) 0.5334(6) 0.4314(2) 0.0215(10) Uani 1 1 d . . .
H4A H 0.6453 0.5627 0.4470 0.026 Uiso 1 1 calc R . .
C5 C 0.7305(6) 0.4277(6) 0.3912(2) 0.0204(10) Uani 1 1 d . . .
H5A H 0.6337 0.3702 0.3736 0.025 Uiso 1 1 calc R . .
C6 C 0.9897(6) 0.5191(5) 0.41427(19) 0.0151(9) Uani 1 1 d . . .
H6A H 1.1069 0.5361 0.4154 0.018 Uiso 1 1 calc R . .
C7 C 1.0545(6) 1.1761(6) 0.66664(19) 0.0181(9) Uani 1 1 d . . .
H7A H 0.9550 1.2140 0.6557 0.022 Uiso 1 1 calc R . .
H7B H 1.1452 1.2629 0.6755 0.022 Uiso 1 1 calc R . .
C8 C 1.0198(6) 1.0858(5) 0.71531(18) 0.0151(9) Uani 1 1 d . . .
H8A H 1.1196 1.0481 0.7260 0.018 Uiso 1 1 calc R . .
H8B H 0.9298 0.9987 0.7062 0.018 Uiso 1 1 calc R . .
C9 C 0.9704(6) 1.1779(5) 0.76188(18) 0.0149(9) Uani 1 1 d . . .
H9A H 0.8721 1.2176 0.7509 0.018 Uiso 1 1 calc R . .
H9B H 1.0614 1.2637 0.7716 0.018 Uiso 1 1 calc R . .
C10 C 0.9315(6) 1.0859(5) 0.81036(19) 0.0147(9) Uani 1 1 d . . .
H10A H 0.8405 1.0002 0.8005 0.018 Uiso 1 1 calc R . .
H10B H 1.0297 1.0458 0.8211 0.018 Uiso 1 1 calc R . .
C11 C 0.8823(6) 1.1755(5) 0.85759(18) 0.0143(9) Uani 1 1 d . . .
H11A H 0.7849 1.2166 0.8467 0.017 Uiso 1 1 calc R . .
H11B H 0.9739 1.2605 0.8677 0.017 Uiso 1 1 calc R . .
C12 C 0.8414(6) 1.0833(5) 0.90595(19) 0.0144(9) Uani 1 1 d . . .
H12A H 0.7498 0.9983 0.8959 0.017 Uiso 1 1 calc R . .
H12B H 0.9388 1.0421 0.9168 0.017 Uiso 1 1 calc R . .
C13 C 0.7925(6) 1.1726(5) 0.95299(18) 0.0143(9) Uani 1 1 d . . .
H13A H 0.6954 1.2140 0.9421 0.017 Uiso 1 1 calc R . .
H13B H 0.8843 1.2575 0.9631 0.017 Uiso 1 1 calc R . .
C14 C 0.7512(6) 1.0812(5) 1.00132(18) 0.0143(9) Uani 1 1 d . . .
H14A H 0.8481 1.0394 1.0122 0.017 Uiso 1 1 calc R . .
H14B H 0.6590 0.9967 0.9913 0.017 Uiso 1 1 calc R . .
C15 C 0.7031(6) 1.1716(5) 1.04849(19) 0.0146(9) Uani 1 1 d . . .
H15A H 0.7955 1.2560 1.0585 0.018 Uiso 1 1 calc R . .
H15B H 0.6066 1.2137 1.0375 0.018 Uiso 1 1 calc R . .
C16 C 0.6609(6) 1.0816(5) 1.09701(19) 0.0146(9) Uani 1 1 d . . .
H16A H 0.7575 1.0400 1.1083 0.018 Uiso 1 1 calc R . .
H16B H 0.5687 0.9969 1.0871 0.018 Uiso 1 1 calc R . .
C17 C 0.6120(6) 1.1738(5) 1.14368(19) 0.0147(9) Uani 1 1 d . . .
H17A H 0.7044 1.2584 1.1535 0.018 Uiso 1 1 calc R . .
H17B H 0.5157 1.2157 1.1323 0.018 Uiso 1 1 calc R . .
C18 C 0.5690(6) 1.0850(5) 1.19243(19) 0.0155(9) Uani 1 1 d . . .
H18A H 0.6664 1.0456 1.2046 0.019 Uiso 1 1 calc R . .
H18B H 0.4788 0.9987 1.1824 0.019 Uiso 1 1 calc R . .
C19 C 0.5157(6) 1.1772(6) 1.23829(19) 0.0180(9) Uani 1 1 d . . .
H19A H 0.6057 1.2638 1.2481 0.022 Uiso 1 1 calc R . .
H19B H 0.4179 1.2161 1.2262 0.022 Uiso 1 1 calc R . .
C20 C 0.4735(7) 1.0892(7) 1.2873(2) 0.0251(11) Uani 1 1 d . . .
H20A H 0.4413 1.1542 1.3153 0.038 Uiso 1 1 calc R . .
H20B H 0.5702 1.0516 1.2998 0.038 Uiso 1 1 calc R . .
H20C H 0.3820 1.0051 1.2782 0.038 Uiso 1 1 calc R . .
C21 C 0.9454(6) 0.3306(5) 0.33778(18) 0.0146(9) Uani 1 1 d . . .
H21A H 0.8591 0.2405 0.3289 0.017 Uiso 1 1 calc R . .
H21B H 1.0472 0.2979 0.3497 0.017 Uiso 1 1 calc R . .
C22 C 0.9786(6) 0.4185(5) 0.28860(19) 0.0150(9) Uani 1 1 d . . .
H22A H 1.0676 0.5067 0.2973 0.018 Uiso 1 1 calc R . .
H22B H 0.8779 0.4546 0.2777 0.018 Uiso 1 1 calc R . .
C23 C 1.0288(6) 0.3263(5) 0.24252(18) 0.0145(9) Uani 1 1 d . . .
H23A H 0.9383 0.2398 0.2331 0.017 Uiso 1 1 calc R . .
H23B H 1.1273 0.2876 0.2538 0.017 Uiso 1 1 calc R . .
C24 C 1.0674(6) 0.4158(5) 0.19353(18) 0.0147(9) Uani 1 1 d . . .
H24A H 1.1592 0.5011 0.2030 0.018 Uiso 1 1 calc R . .
H24B H 0.9695 0.4566 0.1830 0.018 Uiso 1 1 calc R . .
C25 C 1.1146(6) 0.3256(5) 0.14611(18) 0.0147(9) Uani 1 1 d . . .
H25A H 1.2114 0.2834 0.1567 0.018 Uiso 1 1 calc R . .
H25B H 1.0221 0.2414 0.1361 0.018 Uiso 1 1 calc R . .
C26 C 1.1558(6) 0.4171(5) 0.09791(18) 0.0137(8) Uani 1 1 d . . .
H26A H 1.2479 0.5017 0.1080 0.016 Uiso 1 1 calc R . .
H26B H 1.0588 0.4589 0.0872 0.016 Uiso 1 1 calc R . .
C27 C 1.2041(6) 0.3273(5) 0.05044(18) 0.0144(9) Uani 1 1 d . . .
H27A H 1.3010 0.2853 0.0612 0.017 Uiso 1 1 calc R . .
H27B H 1.1119 0.2428 0.0403 0.017 Uiso 1 1 calc R . .
C28 C 1.2456(6) 0.4190(5) 0.00222(19) 0.0145(9) Uani 1 1 d . . .
H28A H 1.3376 0.5037 0.0123 0.017 Uiso 1 1 calc R . .
H28B H 1.1486 0.4605 -0.0087 0.017 Uiso 1 1 calc R . .
C29 C 1.2944(6) 0.3285(5) -0.04473(18) 0.0142(9) Uani 1 1 d . . .
H29A H 1.3912 0.2869 -0.0337 0.017 Uiso 1 1 calc R . .
H29B H 1.2023 0.2438 -0.0547 0.017 Uiso 1 1 calc R . .
C30 C 1.3362(6) 0.4189(5) -0.09322(18) 0.0140(9) Uani 1 1 d . . .
H30A H 1.2395 0.4606 -0.1044 0.017 Uiso 1 1 calc R . .
H30B H 1.4285 0.5035 -0.0833 0.017 Uiso 1 1 calc R . .
C31 C 1.3845(6) 0.3273(5) -0.13988(18) 0.0151(9) Uani 1 1 d . . .
H31A H 1.2923 0.2424 -0.1495 0.018 Uiso 1 1 calc R . .
H31B H 1.4813 0.2858 -0.1287 0.018 Uiso 1 1 calc R . .
C32 C 1.4263(6) 0.4160(5) -0.18892(19) 0.0151(9) Uani 1 1 d . . .
H32A H 1.3290 0.4561 -0.2005 0.018 Uiso 1 1 calc R . .
H32B H 1.5175 0.5018 -0.1792 0.018 Uiso 1 1 calc R . .
C33 C 1.4770(6) 0.3241(6) -0.2351(2) 0.0178(9) Uani 1 1 d . . .
H33A H 1.5750 0.2847 -0.2237 0.021 Uiso 1 1 calc R . .
H33B H 1.3863 0.2380 -0.2448 0.021 Uiso 1 1 calc R . .
C34 C 1.5171(7) 0.4137(6) -0.2838(2) 0.0228(11) Uani 1 1 d . . .
H34A H 1.5481 0.3495 -0.3123 0.034 Uiso 1 1 calc R . .
H34B H 1.6089 0.4975 -0.2747 0.034 Uiso 1 1 calc R . .
H34C H 1.4199 0.4517 -0.2957 0.034 Uiso 1 1 calc R . .
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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
N1 Au1 N3 179.16(14) . . ?
H4B O4 H4C 140.8 . . ?
H5B O5 H5C 117.5 . . ?
C3 N1 C1 106.2(4) . . ?
C3 N1 Au1 128.1(3) . . ?
C1 N1 Au1 125.8(3) . . ?
C3 N2 C2 107.9(4) . . ?
C3 N2 C7 125.9(4) . . ?
C2 N2 C7 125.8(4) . . ?
C6 N3 C4 106.5(4) . . ?
C6 N3 Au1 126.5(3) . . ?
C4 N3 Au1 127.0(3) . . ?
C6 N4 C5 108.0(4) . . ?
C6 N4 C21 125.6(4) . . ?
C5 N4 C21 126.2(4) . . ?
O1 N5 O3 124.5(6) . . ?
O1 N5 O2 120.7(5) . . ?
O3 N5 O2 114.8(5) . . ?
C2 C1 N1 108.8(4) . . ?
C2 C1 H1A 125.6 . . ?
N1 C1 H1A 125.6 . . ?
C1 C2 N2 106.6(4) . . ?
C1 C2 H2A 126.7 . . ?
N2 C2 H2A 126.7 . . ?
N1 C3 N2 110.4(4) . . ?
N1 C3 H3A 124.8 . . ?
N2 C3 H3A 124.8 . . ?
C5 C4 N3 108.6(4) . . ?
C5 C4 H4A 125.7 . . ?
N3 C4 H4A 125.7 . . ?
C4 C5 N4 106.5(4) . . ?
C4 C5 H5A 126.7 . . ?
N4 C5 H5A 126.7 . . ?
N4 C6 N3 110.4(4) . . ?
N4 C6 H6A 124.8 . . ?
N3 C6 H6A 124.8 . . ?
N2 C7 C8 110.7(4) . . ?
N2 C7 H7A 109.5 . . ?
C8 C7 H7A 109.5 . . ?
N2 C7 H7B 109.5 . . ?
C8 C7 H7B 109.5 . . ?
H7A C7 H7B 108.1 . . ?
C7 C8 C9 112.1(4) . . ?
C7 C8 H8A 109.2 . . ?
C9 C8 H8A 109.2 . . ?
C7 C8 H8B 109.2 . . ?
C9 C8 H8B 109.2 . . ?
H8A C8 H8B 107.9 . . ?
C8 C9 C10 112.0(4) . . ?
C8 C9 H9A 109.2 . . ?
C10 C9 H9A 109.2 . . ?
C8 C9 H9B 109.2 . . ?
C10 C9 H9B 109.2 . . ?
H9A C9 H9B 107.9 . . ?
C11 C10 C9 113.1(4) . . ?
C11 C10 H10A 109.0 . . ?
C9 C10 H10A 109.0 . . ?
C11 C10 H10B 109.0 . . ?
C9 C10 H10B 109.0 . . ?
H10A C10 H10B 107.8 . . ?
C10 C11 C12 113.2(4) . . ?
C10 C11 H11A 108.9 . . ?
C12 C11 H11A 108.9 . . ?
C10 C11 H11B 108.9 . . ?
C12 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
C13 C12 C11 113.2(4) . . ?
C13 C12 H12A 108.9 . . ?
C11 C12 H12A 108.9 . . ?
C13 C12 H12B 108.9 . . ?
C11 C12 H12B 108.9 . . ?
H12A C12 H12B 107.8 . . ?
C12 C13 C14 113.5(4) . . ?
C12 C13 H13A 108.9 . . ?
C14 C13 H13A 108.9 . . ?
C12 C13 H13B 108.9 . . ?
C14 C13 H13B 108.9 . . ?
H13A C13 H13B 107.7 . . ?
C13 C14 C15 113.2(4) . . ?
C13 C14 H14A 108.9 . . ?
C15 C14 H14A 108.9 . . ?
C13 C14 H14B 108.9 . . ?
C15 C14 H14B 108.9 . . ?
H14A C14 H14B 107.7 . . ?
C16 C15 C14 113.8(4) . . ?
C16 C15 H15A 108.8 . . ?
C14 C15 H15A 108.8 . . ?
C16 C15 H15B 108.8 . . ?
C14 C15 H15B 108.8 . . ?
H15A C15 H15B 107.7 . . ?
C15 C16 C17 113.0(4) . . ?
C15 C16 H16A 109.0 . . ?
C17 C16 H16A 109.0 . . ?
C15 C16 H16B 109.0 . . ?
C17 C16 H16B 109.0 . . ?
H16A C16 H16B 107.8 . . ?
C18 C17 C16 113.5(4) . . ?
C18 C17 H17A 108.9 . . ?
C16 C17 H17A 108.9 . . ?
C18 C17 H17B 108.9 . . ?
C16 C17 H17B 108.9 . . ?
H17A C17 H17B 107.7 . . ?
C17 C18 C19 113.1(4) . . ?
C17 C18 H18A 109.0 . . ?
C19 C18 H18A 109.0 . . ?
C17 C18 H18B 109.0 . . ?
C19 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C20 C19 C18 113.3(4) . . ?
C20 C19 H19A 108.9 . . ?
C18 C19 H19A 108.9 . . ?
C20 C19 H19B 108.9 . . ?
C18 C19 H19B 108.9 . . ?
H19A C19 H19B 107.7 . . ?
C19 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C19 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N4 C21 C22 111.4(4) . . ?
N4 C21 H21A 109.3 . . ?
C22 C21 H21A 109.3 . . ?
N4 C21 H21B 109.3 . . ?
C22 C21 H21B 109.3 . . ?
H21A C21 H21B 108.0 . . ?
C21 C22 C23 112.5(4) . . ?
C21 C22 H22A 109.1 . . ?
C23 C22 H22A 109.1 . . ?
C21 C22 H22B 109.1 . . ?
C23 C22 H22B 109.1 . . ?
H22A C22 H22B 107.8 . . ?
C22 C23 C24 112.6(4) . . ?
C22 C23 H23A 109.1 . . ?
C24 C23 H23A 109.1 . . ?
C22 C23 H23B 109.1 . . ?
C24 C23 H23B 109.1 . . ?
H23A C23 H23B 107.8 . . ?
C23 C24 C25 114.0(4) . . ?
C23 C24 H24A 108.8 . . ?
C25 C24 H24A 108.8 . . ?
C23 C24 H24B 108.8 . . ?
C25 C24 H24B 108.8 . . ?
H24A C24 H24B 107.6 . . ?
C26 C25 C24 113.4(4) . . ?
C26 C25 H25A 108.9 . . ?
C24 C25 H25A 108.9 . . ?
C26 C25 H25B 108.9 . . ?
C24 C25 H25B 108.9 . . ?
H25A C25 H25B 107.7 . . ?
C25 C26 C27 113.5(4) . . ?
C25 C26 H26A 108.9 . . ?
C27 C26 H26A 108.9 . . ?
C25 C26 H26B 108.9 . . ?
C27 C26 H26B 108.9 . . ?
H26A C26 H26B 107.7 . . ?
C28 C27 C26 113.4(4) . . ?
C28 C27 H27A 108.9 . . ?
C26 C27 H27A 108.9 . . ?
C28 C27 H27B 108.9 . . ?
C26 C27 H27B 108.9 . . ?
H27A C27 H27B 107.7 . . ?
C27 C28 C29 112.9(4) . . ?
C27 C28 H28A 109.0 . . ?
C29 C28 H28A 109.0 . . ?
C27 C28 H28B 109.0 . . ?
C29 C28 H28B 109.0 . . ?
H28A C28 H28B 107.8 . . ?
C30 C29 C28 113.5(4) . . ?
C30 C29 H29A 108.9 . . ?
C28 C29 H29A 108.9 . . ?
C30 C29 H29B 108.9 . . ?
C28 C29 H29B 108.9 . . ?
H29A C29 H29B 107.7 . . ?
C31 C30 C29 113.0(4) . . ?
C31 C30 H30A 109.0 . . ?
C29 C30 H30A 109.0 . . ?
C31 C30 H30B 109.0 . . ?
C29 C30 H30B 109.0 . . ?
H30A C30 H30B 107.8 . . ?
C30 C31 C32 113.7(4) . . ?
C30 C31 H31A 108.8 . . ?
C32 C31 H31A 108.8 . . ?
C30 C31 H31B 108.8 . . ?
C32 C31 H31B 108.8 . . ?
H31A C31 H31B 107.7 . . ?
C33 C32 C31 113.3(4) . . ?
C33 C32 H32A 108.9 . . ?
C31 C32 H32A 108.9 . . ?
C33 C32 H32B 108.9 . . ?
C31 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
C34 C33 C32 112.7(4) . . ?
C34 C33 H33A 109.0 . . ?
C32 C33 H33A 109.0 . . ?
C34 C33 H33B 109.0 . . ?
C32 C33 H33B 109.0 . . ?
H33A C33 H33B 107.8 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 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
Au1 N1 2.002(4) . ?
Au1 N3 2.003(4) . ?
O1 N5 1.207(6) . ?
O2 N5 1.285(6) . ?
O3 N5 1.218(7) . ?
O4 H4B 0.8577 . ?
O4 H4C 0.8588 . ?
O5 H5B 0.8552 . ?
O5 H5C 0.8523 . ?
N1 C3 1.336(6) . ?
N1 C1 1.385(6) . ?
N2 C3 1.337(6) . ?
N2 C2 1.377(6) . ?
N2 C7 1.465(6) . ?
N3 C6 1.336(6) . ?
N3 C4 1.377(6) . ?
N4 C6 1.330(6) . ?
N4 C5 1.377(6) . ?
N4 C21 1.472(6) . ?
C1 C2 1.354(7) . ?
C1 H1A 0.9500 . ?
C2 H2A 0.9500 . ?
C3 H3A 0.9500 . ?
C4 C5 1.359(7) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C7 C8 1.520(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C9 1.528(6) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C9 C10 1.529(6) . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C10 C11 1.527(6) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.529(6) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.521(6) . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13 C14 1.525(6) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.526(6) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.523(6) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.529(6) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 C18 1.524(6) . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C18 C19 1.529(6) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.523(7) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.517(6) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 C23 1.522(6) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C24 1.526(6) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.527(6) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.522(6) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.530(6) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.525(6) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.525(6) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.525(6) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.524(6) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.528(6) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.524(6) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.522(7) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
