#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/54/7105456.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_7105456
loop_
_publ_author_name
'Gaillard, Sylvain'
'Slawin, Alexandra M. Z.'
'Nolan, Steven P.'
_publ_section_title
;
 A N-heterocyclic carbene gold hydroxide complex: a golden synthon
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              2742
_journal_paper_doi               10.1039/c0cc00018c
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C29 H39 Au N2 O2,0.5(C H Cl3)'
_chemical_formula_sum            'C29.5 H39.5 Au Cl1.5 N2 O2'
_chemical_formula_weight         704.27
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.753(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   17.530(5)
_cell_length_b                   23.690(6)
_cell_length_c                   16.642(5)
_cell_measurement_reflns_used    11018
_cell_measurement_temperature    93(2)
_cell_measurement_theta_max      28.4072
_cell_measurement_theta_min      2.1633
_cell_volume                     6116(3)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2004)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2004)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      93(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  confocal
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1439
_diffrn_reflns_av_sigmaI/netI    0.2215
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            38764
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.31
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    4.968
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6461
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Platelet
_exptl_crystal_F_000             2808
_exptl_crystal_size_max          0.1000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0300
_refine_diff_density_max         3.233
_refine_diff_density_min         -2.925
_refine_diff_density_rms         0.173
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     652
_refine_ls_number_reflns         11111
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.1880
_refine_ls_R_factor_gt           0.0825
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0506P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1571
_refine_ls_wR_factor_ref         0.1962
_reflns_number_gt                5174
_reflns_number_total             11111
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0cc00018c.txt
_cod_data_source_block           snsg22
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      P2(1)/c
_cod_original_formula_sum        'C29.50 H39.50 Au Cl1.50 N2 O2'
_cod_database_code               7105456
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.09849(4) 0.23256(3) 0.40221(5) 0.0474(2) Uani 1 1 d . . .
C1 C 0.0970(8) 0.1492(6) 0.4064(12) 0.043(4) Uani 1 1 d . . .
N2 N 0.0838(7) 0.1139(6) 0.3357(9) 0.048(3) Uani 1 1 d . . .
C3 C 0.0959(9) 0.0589(7) 0.3699(14) 0.055(5) Uani 1 1 d . . .
H3A H 0.0951 0.0258 0.3373 0.066 Uiso 1 1 calc R . .
C4 C 0.1088(9) 0.0603(8) 0.4558(13) 0.057(5) Uani 1 1 d . . .
H4A H 0.1147 0.0289 0.4938 0.068 Uiso 1 1 calc R . .
N5 N 0.1118(7) 0.1162(6) 0.4774(10) 0.047(3) Uani 1 1 d . . .
C6 C 0.0723(15) 0.1320(7) 0.2473(14) 0.070(6) Uani 1 1 d . . .
C7 C 0.1511(18) 0.1399(10) 0.2460(16) 0.100(8) Uani 1 1 d . . .
C8 C 0.1336(17) 0.1639(12) 0.158(2) 0.117(10) Uani 1 1 d U . .
H8A H 0.1819 0.1718 0.1489 0.140 Uiso 1 1 calc R . .
C9 C 0.059(3) 0.1752(10) 0.092(2) 0.142(14) Uani 1 1 d . . .
H9A H 0.0543 0.1936 0.0398 0.171 Uiso 1 1 calc R . .
C10 C -0.018(2) 0.1605(10) 0.0971(18) 0.135(11) Uani 1 1 d . . .
H10A H -0.0731 0.1656 0.0459 0.162 Uiso 1 1 calc R . .
C11 C -0.0116(19) 0.1388(9) 0.1767(16) 0.106(9) Uani 1 1 d . . .
C12 C 0.2383(15) 0.1326(10) 0.321(2) 0.115(10) Uani 1 1 d . . .
H12A H 0.2326 0.1173 0.3739 0.137 Uiso 1 1 calc R . .
C13 C 0.2858(18) 0.0873(9) 0.293(2) 0.155(14) Uani 1 1 d . . .
H13A H 0.2514 0.0526 0.2750 0.233 Uiso 1 1 calc R . .
H13B H 0.3422 0.0793 0.3448 0.233 Uiso 1 1 calc R . .
H13C H 0.2937 0.1014 0.2422 0.233 Uiso 1 1 calc R . .
C14 C 0.2919(12) 0.1856(9) 0.3522(19) 0.136(12) Uani 1 1 d . . .
H14A H 0.2607 0.2142 0.3680 0.203 Uiso 1 1 calc R . .
H14B H 0.3028 0.1999 0.3033 0.203 Uiso 1 1 calc R . .
H14C H 0.3468 0.1771 0.4056 0.203 Uiso 1 1 calc R . .
C15 C -0.0889(13) 0.1212(9) 0.1893(15) 0.081(6) Uani 1 1 d . . .
H15A H -0.0683 0.0971 0.2449 0.097 Uiso 1 1 calc R . .
C16 C -0.1531(15) 0.0879(9) 0.1084(13) 0.121(10) Uani 1 1 d . . .
H16A H -0.2023 0.0774 0.1181 0.181 Uiso 1 1 calc R . .
H16B H -0.1254 0.0537 0.1012 0.181 Uiso 1 1 calc R . .
H16C H -0.1733 0.1111 0.0535 0.181 Uiso 1 1 calc R . .
C17 C -0.1327(15) 0.1726(12) 0.2014(18) 0.147(11) Uani 1 1 d . . .
H17A H -0.0910 0.1949 0.2528 0.220 Uiso 1 1 calc R . .
H17B H -0.1801 0.1610 0.2133 0.220 Uiso 1 1 calc R . .
H17C H -0.1554 0.1956 0.1461 0.220 Uiso 1 1 calc R . .
C18 C 0.1298(11) 0.1383(7) 0.5640(12) 0.051(4) Uani 1 1 d . . .
C19 C 0.0579(15) 0.1475(8) 0.5819(15) 0.080(6) Uani 1 1 d . . .
C20 C 0.0806(19) 0.1704(10) 0.669(2) 0.109(9) Uani 1 1 d . . .
H20A H 0.0376 0.1775 0.6874 0.130 Uiso 1 1 calc R . .
C21 C 0.167(2) 0.1823(11) 0.7280(19) 0.116(9) Uani 1 1 d . . .
H21A H 0.1813 0.1991 0.7850 0.139 Uiso 1 1 calc R . .
C22 C 0.2292(16) 0.1717(10) 0.7088(15) 0.094(7) Uani 1 1 d . . .
H22A H 0.2867 0.1788 0.7539 0.113 Uiso 1 1 calc R . .
C23 C 0.2157(12) 0.1505(6) 0.6251(12) 0.056(5) Uani 1 1 d . . .
C24 C -0.0341(14) 0.1337(10) 0.5100(18) 0.106(8) Uani 1 1 d . . .
H24A H -0.0322 0.1075 0.4638 0.127 Uiso 1 1 calc R . .
C25 C -0.0833(15) 0.1046(9) 0.557(2) 0.145(13) Uani 1 1 d . . .
H25A H -0.0538 0.0695 0.5859 0.217 Uiso 1 1 calc R . .
H25B H -0.1425 0.0962 0.5112 0.217 Uiso 1 1 calc R . .
H25C H -0.0843 0.1301 0.6028 0.217 Uiso 1 1 calc R . .
C26 C -0.0826(12) 0.1869(11) 0.4635(19) 0.153(13) Uani 1 1 d . . .
H26A H -0.0546 0.2047 0.4310 0.229 Uiso 1 1 calc R . .
H26B H -0.0824 0.2132 0.5091 0.229 Uiso 1 1 calc R . .
H26C H -0.1422 0.1773 0.4204 0.229 Uiso 1 1 calc R . .
C27 C 0.2886(10) 0.1417(7) 0.6031(12) 0.055(5) Uani 1 1 d . . .
H27A H 0.2634 0.1308 0.5377 0.066 Uiso 1 1 calc R . .
C28 C 0.3472(13) 0.0947(9) 0.6588(15) 0.109(8) Uani 1 1 d . . .
H28A H 0.3136 0.0601 0.6495 0.163 Uiso 1 1 calc R . .
H28B H 0.3744 0.1051 0.7232 0.163 Uiso 1 1 calc R . .
H28C H 0.3918 0.0885 0.6400 0.163 Uiso 1 1 calc R . .
C29 C 0.3413(12) 0.1947(8) 0.6167(17) 0.120(10) Uani 1 1 d . . .
H29A H 0.3033 0.2256 0.5812 0.180 Uiso 1 1 calc R . .
H29B H 0.3849 0.1880 0.5966 0.180 Uiso 1 1 calc R . .
H29C H 0.3698 0.2049 0.6812 0.180 Uiso 1 1 calc R . .
O30 O 0.0986(6) 0.3189(4) 0.3978(7) 0.046(3) Uani 1 1 d . . .
C30 C 0.1711(13) 0.3436(8) 0.4489(15) 0.066(6) Uani 1 1 d . . .
O31 O 0.2364(9) 0.3194(6) 0.5021(9) 0.088(4) Uani 1 1 d . . .
C31 C 0.1685(10) 0.4082(7) 0.4370(12) 0.066(5) Uani 1 1 d . . .
H31A H 0.1414 0.4255 0.4708 0.099 Uiso 1 1 calc R . .
H31B H 0.1351 0.4176 0.3724 0.099 Uiso 1 1 calc R . .
H31C H 0.2274 0.4226 0.4601 0.099 Uiso 1 1 calc R . .
Au41 Au 0.64800(4) 0.41686(3) 0.75498(5) 0.0556(2) Uani 1 1 d . . .
C41 C 0.5450(9) 0.3775(6) 0.7421(10) 0.038(4) Uani 1 1 d . . .
N42 N 0.5379(7) 0.3426(5) 0.8009(9) 0.045(3) Uani 1 1 d . . .
C43 C 0.4089(8) 0.3427(6) 0.6819(11) 0.035(4) Uani 1 1 d . . .
H43A H 0.3502 0.3356 0.6401 0.041 Uiso 1 1 calc R . .
C44 C 0.4540(9) 0.3194(7) 0.7636(11) 0.046(4) Uani 1 1 d . . .
H44A H 0.4338 0.2923 0.7914 0.056 Uiso 1 1 calc R . .
N45 N 0.4660(7) 0.3800(5) 0.6703(9) 0.041(3) Uani 1 1 d . . .
C46 C 0.4410(8) 0.4110(7) 0.5876(11) 0.043(4) Uani 1 1 d . . .
C47 C 0.3988(9) 0.4632(7) 0.5778(12) 0.052(5) Uani 1 1 d . . .
C48 C 0.3738(10) 0.4928(7) 0.4977(13) 0.052(5) Uani 1 1 d . . .
H48A H 0.3440 0.5276 0.4886 0.062 Uiso 1 1 calc R . .
C49 C 0.3919(10) 0.4722(9) 0.4315(15) 0.078(7) Uani 1 1 d . . .
H49A H 0.3746 0.4934 0.3773 0.094 Uiso 1 1 calc R . .
C50 C 0.4341(11) 0.4220(8) 0.4410(12) 0.061(5) Uani 1 1 d . . .
H50A H 0.4459 0.4085 0.3942 0.074 Uiso 1 1 calc R . .
C51 C 0.4595(9) 0.3910(6) 0.5216(12) 0.047(4) Uani 1 1 d . . .
C52 C 0.3844(9) 0.4862(6) 0.6556(11) 0.047(4) Uani 1 1 d . . .
H52A H 0.3808 0.4534 0.6916 0.056 Uiso 1 1 calc R . .
C53 C 0.4577(10) 0.5234(7) 0.7180(12) 0.066(5) Uani 1 1 d . . .
H53A H 0.5118 0.5022 0.7422 0.100 Uiso 1 1 calc R . .
H53B H 0.4475 0.5362 0.7682 0.100 Uiso 1 1 calc R . .
H53C H 0.4615 0.5563 0.6842 0.100 Uiso 1 1 calc R . .
C54 C 0.2990(11) 0.5207(7) 0.6202(14) 0.083(6) Uani 1 1 d . . .
H54A H 0.2916 0.5340 0.6718 0.125 Uiso 1 1 calc R . .
H54B H 0.2502 0.4965 0.5815 0.125 Uiso 1 1 calc R . .
H54C H 0.3015 0.5531 0.5850 0.125 Uiso 1 1 calc R . .
C55 C 0.5039(10) 0.3341(7) 0.5300(11) 0.053(4) Uani 1 1 d . . .
H55A H 0.5158 0.3181 0.5902 0.063 Uiso 1 1 calc R . .
C56 C 0.5939(10) 0.3421(7) 0.5316(13) 0.073(6) Uani 1 1 d . . .
H56A H 0.6217 0.3052 0.5386 0.109 Uiso 1 1 calc R . .
H56B H 0.6306 0.3665 0.5826 0.109 Uiso 1 1 calc R . .
H56C H 0.5854 0.3595 0.4745 0.109 Uiso 1 1 calc R . .
C57 C 0.4495(12) 0.2918(8) 0.4597(15) 0.092(7) Uani 1 1 d . . .
H57A H 0.3946 0.2871 0.4612 0.137 Uiso 1 1 calc R . .
H57B H 0.4798 0.2556 0.4725 0.137 Uiso 1 1 calc R . .
H57C H 0.4384 0.3052 0.3995 0.137 Uiso 1 1 calc R . .
C58 C 0.6062(9) 0.3228(7) 0.8839(11) 0.044(4) Uani 1 1 d . . .
C59 C 0.6515(10) 0.2742(7) 0.8813(11) 0.048(4) Uani 1 1 d . . .
C60 C 0.7227(10) 0.2599(8) 0.9656(15) 0.065(6) Uani 1 1 d . . .
H60A H 0.7576 0.2286 0.9679 0.077 Uiso 1 1 calc R . .
C61 C 0.7429(12) 0.2887(9) 1.0424(15) 0.073(6) Uani 1 1 d . . .
H61A H 0.7882 0.2755 1.0982 0.087 Uiso 1 1 calc R . .
C62 C 0.6997(12) 0.3365(8) 1.0418(12) 0.063(5) Uani 1 1 d . . .
H62A H 0.7180 0.3584 1.0954 0.076 Uiso 1 1 calc R . .
C63 C 0.6300(9) 0.3526(7) 0.9638(12) 0.051(5) Uani 1 1 d . . .
C64 C 0.6293(11) 0.2433(7) 0.7962(15) 0.068(6) Uani 1 1 d . . .
H64A H 0.5728 0.2586 0.7492 0.082 Uiso 1 1 calc R . .
C65 C 0.6942(12) 0.2530(8) 0.7616(15) 0.088(7) Uani 1 1 d . . .
H65A H 0.7018 0.2936 0.7568 0.132 Uiso 1 1 calc R . .
H65B H 0.6734 0.2355 0.7017 0.132 Uiso 1 1 calc R . .
H65C H 0.7495 0.2361 0.8039 0.132 Uiso 1 1 calc R . .
C66 C 0.6174(12) 0.1786(6) 0.8027(13) 0.072(6) Uani 1 1 d . . .
H66A H 0.5741 0.1720 0.8232 0.108 Uiso 1 1 calc R . .
H66B H 0.6724 0.1619 0.8461 0.108 Uiso 1 1 calc R . .
H66C H 0.5982 0.1614 0.7428 0.108 Uiso 1 1 calc R . .
C67 C 0.5836(12) 0.4087(8) 0.9619(12) 0.068(5) Uani 1 1 d . . .
H67A H 0.5340 0.4138 0.9000 0.082 Uiso 1 1 calc R . .
C68 C 0.6436(15) 0.4609(8) 0.9847(15) 0.105(8) Uani 1 1 d . . .
H68A H 0.6654 0.4640 0.9403 0.158 Uiso 1 1 calc R . .
H68B H 0.6922 0.4566 1.0457 0.158 Uiso 1 1 calc R . .
H68C H 0.6112 0.4951 0.9826 0.158 Uiso 1 1 calc R . .
C69 C 0.5483(12) 0.4047(9) 1.0323(13) 0.087(6) Uani 1 1 d . . .
H69A H 0.5087 0.3726 1.0170 0.130 Uiso 1 1 calc R . .
H69B H 0.5175 0.4395 1.0307 0.130 Uiso 1 1 calc R . .
H69C H 0.5964 0.3994 1.0933 0.130 Uiso 1 1 calc R . .
O70 O 0.7522(8) 0.4536(6) 0.7502(11) 0.104(6) Uani 1 1 d . . .
C70 C 0.8029(15) 0.4768(9) 0.809(2) 0.093(9) Uani 1 1 d . . .
O71 O 0.8055(16) 0.4744(10) 0.8842(16) 0.194(13) Uani 1 1 d . . .
C71 C 0.8725(10) 0.5101(7) 0.8021(13) 0.073(6) Uani 1 1 d . . .
H71A H 0.8773 0.4978 0.7484 0.109 Uiso 1 1 calc R . .
H71B H 0.9275 0.5040 0.8565 0.109 Uiso 1 1 calc R . .
H71C H 0.8579 0.5504 0.7965 0.109 Uiso 1 1 calc R . .
C81 C -0.0731(14) 0.3943(11) 0.3374(16) 0.111(9) Uani 1 1 d . . .
H81A H -0.0185 0.3720 0.3616 0.133 Uiso 1 1 calc R . .
Cl1 Cl -0.1472(6) 0.3560(6) 0.3407(7) 0.236(6) Uani 1 1 d . . .
Cl2 Cl -0.0934(13) 0.4191(5) 0.2415(8) 0.340(10) Uani 1 1 d . . .
Cl3 Cl -0.0569(6) 0.4556(5) 0.4126(8) 0.239(6) Uani 1 1 d . . .
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'
Cl Cl 0.1484 0.1585 '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
C1 Au1 O30 179.3(4) . . ?
N5 C1 N2 106.7(13) . . ?
N5 C1 Au1 127.9(12) . . ?
N2 C1 Au1 125.3(13) . . ?
C1 N2 C3 106.7(14) . . ?
C1 N2 C6 125.1(14) . . ?
C3 N2 C6 127.6(15) . . ?
C4 C3 N2 109.3(15) . . ?
C4 C3 H3A 125.4 . . ?
N2 C3 H3A 125.4 . . ?
C3 C4 N5 105.6(15) . . ?
C3 C4 H4A 127.2 . . ?
N5 C4 H4A 127.2 . . ?
C1 N5 C4 111.5(14) . . ?
C1 N5 C18 122.7(14) . . ?
C4 N5 C18 125.8(15) . . ?
C7 C6 C11 129(2) . . ?
C7 C6 N2 112(2) . . ?
C11 C6 N2 118.7(18) . . ?
C6 C7 C12 128(2) . . ?
C6 C7 C8 108(2) . . ?
C12 C7 C8 123(2) . . ?
C9 C8 C7 126(3) . . ?
C9 C8 H8A 117.0 . . ?
C7 C8 H8A 117.0 . . ?
C8 C9 C10 121(3) . . ?
C8 C9 H9A 119.4 . . ?
C10 C9 H9A 119.4 . . ?
C11 C10 C9 119(3) . . ?
C11 C10 H10A 120.5 . . ?
C9 C10 H10A 120.5 . . ?
C10 C11 C6 116(3) . . ?
C10 C11 C15 124(3) . . ?
C6 C11 C15 120(2) . . ?
C7 C12 C14 115(2) . . ?
C7 C12 C13 109(2) . . ?
C14 C12 C13 110.1(15) . . ?
C7 C12 H12A 107.4 . . ?
C14 C12 H12A 107.4 . . ?
C13 C12 H12A 107.4 . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C11 110(2) . . ?
C17 C15 C16 109.1(18) . . ?
C11 C15 C16 111.1(19) . . ?
C17 C15 H15A 108.9 . . ?
C11 C15 H15A 108.9 . . ?
C16 C15 H15A 108.9 . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 N5 117.9(14) . . ?
C23 C18 C19 124.6(18) . . ?
N5 C18 C19 117.5(17) . . ?
C20 C19 C18 114(2) . . ?
C20 C19 C24 125(2) . . ?
C18 C19 C24 120.7(19) . . ?
C21 C20 C19 119(2) . . ?
C21 C20 H20A 120.5 . . ?
C19 C20 H20A 120.5 . . ?
C22 C21 C20 124(3) . . ?
C22 C21 H21A 118.2 . . ?
C20 C21 H21A 118.2 . . ?
C21 C22 C23 123(2) . . ?
C21 C22 H22A 118.5 . . ?
C23 C22 H22A 118.5 . . ?
C22 C23 C18 115.2(19) . . ?
C22 C23 C27 121.8(18) . . ?
C18 C23 C27 123.0(16) . . ?
C26 C24 C19 111(2) . . ?
C26 C24 C25 108.1(15) . . ?
C19 C24 C25 109(2) . . ?
C26 C24 H24A 109.5 . . ?
C19 C24 H24A 109.5 . . ?
C25 C24 H24A 109.5 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C23 C27 C28 111.6(15) . . ?
C23 C27 C29 112.3(14) . . ?
C28 C27 C29 109.1(16) . . ?
C23 C27 H27A 107.9 . . ?
C28 C27 H27A 107.9 . . ?
C29 C27 H27A 107.9 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C30 O30 Au1 116.5(11) . . ?
O31 C30 O30 124.6(17) . . ?
O31 C30 C31 121.6(16) . . ?
O30 C30 C31 113.8(17) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C41 Au41 O70 171.6(7) . . ?
N42 C41 N45 105.7(12) . . ?
N42 C41 Au41 127.9(11) . . ?
N45 C41 Au41 126.4(11) . . ?
C41 N42 C44 110.7(13) . . ?
C41 N42 C58 126.5(12) . . ?
C44 N42 C58 122.1(13) . . ?
C44 C43 N45 106.0(12) . . ?
C44 C43 H43A 127.0 . . ?
N45 C43 H43A 127.0 . . ?
C43 C44 N42 106.8(13) . . ?
C43 C44 H44A 126.6 . . ?
N42 C44 H44A 126.6 . . ?
C41 N45 C43 110.6(12) . . ?
C41 N45 C46 127.1(12) . . ?
C43 N45 C46 122.0(12) . . ?
C51 C46 C47 121.2(16) . . ?
C51 C46 N45 120.7(13) . . ?
C47 C46 N45 118.0(14) . . ?
C48 C47 C46 118.1(17) . . ?
C48 C47 C52 122.1(15) . . ?
C46 C47 C52 119.8(15) . . ?
C49 C48 C47 120.3(17) . . ?
C49 C48 H48A 119.9 . . ?
C47 C48 H48A 119.9 . . ?
C50 C49 C48 122.1(18) . . ?
C50 C49 H49A 118.9 . . ?
C48 C49 H49A 118.9 . . ?
C49 C50 C51 118.5(18) . . ?
C49 C50 H50A 120.7 . . ?
C51 C50 H50A 120.7 . . ?
C46 C51 C50 119.7(15) . . ?
C46 C51 C55 122.2(14) . . ?
C50 C51 C55 118.0(16) . . ?
C53 C52 C47 111.6(13) . . ?
C53 C52 C54 108.3(12) . . ?
C47 C52 C54 112.0(14) . . ?
C53 C52 H52A 108.3 . . ?
C47 C52 H52A 108.3 . . ?
C54 C52 H52A 108.3 . . ?
C52 C53 H53A 109.5 . . ?
C52 C53 H53B 109.5 . . ?
H53A C53 H53B 109.5 . . ?
C52 C53 H53C 109.5 . . ?
H53A C53 H53C 109.5 . . ?
H53B C53 H53C 109.5 . . ?
C52 C54 H54A 109.5 . . ?
C52 C54 H54B 109.5 . . ?
H54A C54 H54B 109.5 . . ?
C52 C54 H54C 109.5 . . ?
H54A C54 H54C 109.5 . . ?
H54B C54 H54C 109.5 . . ?
C57 C55 C51 114.0(14) . . ?
C57 C55 C56 111.2(14) . . ?
C51 C55 C56 111.0(13) . . ?
C57 C55 H55A 106.7 . . ?
C51 C55 H55A 106.7 . . ?
C56 C55 H55A 106.7 . . ?
C55 C56 H56A 109.5 . . ?
C55 C56 H56B 109.5 . . ?
H56A C56 H56B 109.5 . . ?
C55 C56 H56C 109.5 . . ?
H56A C56 H56C 109.5 . . ?
H56B C56 H56C 109.5 . . ?
C55 C57 H57A 109.5 . . ?
C55 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C55 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C63 C58 C59 121.6(15) . . ?
C63 C58 N42 120.2(15) . . ?
C59 C58 N42 118.1(15) . . ?
C58 C59 C60 114.4(16) . . ?
C58 C59 C64 122.2(15) . . ?
C60 C59 C64 123.2(17) . . ?
C61 C60 C59 122.7(18) . . ?
C61 C60 H60A 118.7 . . ?
C59 C60 H60A 118.7 . . ?
C60 C61 C62 121.2(19) . . ?
C60 C61 H61A 119.4 . . ?
C62 C61 H61A 119.4 . . ?
C63 C62 C61 119.4(19) . . ?
C63 C62 H62A 120.3 . . ?
C61 C62 H62A 120.3 . . ?
C62 C63 C58 120.5(17) . . ?
C62 C63 C67 119.3(17) . . ?
C58 C63 C67 119.8(15) . . ?
C59 C64 C65 112.4(15) . . ?
C59 C64 C66 113.9(15) . . ?
C65 C64 C66 108.9(14) . . ?
C59 C64 H64A 107.1 . . ?
C65 C64 H64A 107.1 . . ?
C66 C64 H64A 107.1 . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C64 C66 H66C 109.5 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C68 C67 C63 112.9(15) . . ?
C68 C67 C69 109.0(16) . . ?
C63 C67 C69 108.6(15) . . ?
C68 C67 H67A 108.7 . . ?
C63 C67 H67A 108.7 . . ?
C69 C67 H67A 108.7 . . ?
C67 C68 H68A 109.5 . . ?
C67 C68 H68B 109.5 . . ?
H68A C68 H68B 109.5 . . ?
C67 C68 H68C 109.5 . . ?
H68A C68 H68C 109.5 . . ?
H68B C68 H68C 109.5 . . ?
C67 C69 H69A 109.5 . . ?
C67 C69 H69B 109.5 . . ?
H69A C69 H69B 109.5 . . ?
C67 C69 H69C 109.5 . . ?
H69A C69 H69C 109.5 . . ?
H69B C69 H69C 109.5 . . ?
C70 O70 Au41 122(2) . . ?
O70 C70 O71 121(2) . . ?
O70 C70 C71 122(3) . . ?
O71 C70 C71 117(3) . . ?
C70 C71 H71A 109.5 . . ?
C70 C71 H71B 109.5 . . ?
H71A C71 H71B 109.5 . . ?
C70 C71 H71C 109.5 . . ?
H71A C71 H71C 109.5 . . ?
H71B C71 H71C 109.5 . . ?
Cl2 C81 Cl1 116.1(17) . . ?
Cl2 C81 Cl3 106.5(15) . . ?
Cl1 C81 Cl3 107.0(14) . . ?
Cl2 C81 H81A 109.0 . . ?
Cl1 C81 H81A 109.0 . . ?
Cl3 C81 H81A 109.0 . . ?
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 C1 1.977(15) . ?
Au1 O30 2.046(10) . ?
C1 N5 1.336(19) . ?
C1 N2 1.372(18) . ?
N2 C3 1.40(2) . ?
N2 C6 1.45(2) . ?
C3 C4 1.34(2) . ?
C3 H3A 0.9500 . ?
C4 N5 1.37(2) . ?
C4 H4A 0.9500 . ?
N5 C18 1.42(2) . ?
C6 C7 1.40(3) . ?
C6 C11 1.40(3) . ?
C7 C12 1.47(3) . ?
C7 C8 1.46(3) . ?
C8 C9 1.29(4) . ?
C8 H8A 0.9500 . ?
C9 C10 1.43(4) . ?
C9 H9A 0.9500 . ?
C10 C11 1.38(3) . ?
C10 H10A 0.9500 . ?
C11 C15 1.52(3) . ?
C12 C14 1.51(2) . ?
C12 C13 1.56(3) . ?
C12 H12A 1.0000 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C17 1.50(3) . ?
C15 C16 1.51(3) . ?
C15 H15A 1.0000 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C23 1.40(2) . ?
C18 C19 1.44(2) . ?
C19 C20 1.42(3) . ?
C19 C24 1.53(3) . ?
C20 C21 1.40(3) . ?
C20 H20A 0.9500 . ?
C21 C22 1.29(3) . ?
C21 H21A 0.9500 . ?
C22 C23 1.39(2) . ?
C22 H22A 0.9500 . ?
C23 C27 1.50(2) . ?
C24 C26 1.52(3) . ?
C24 C25 1.57(3) . ?
C24 H24A 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.51(2) . ?
C27 C29 1.51(2) . ?
C27 H27A 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O30 C30 1.294(19) . ?
C30 O31 1.22(2) . ?
C30 C31 1.54(2) . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
Au41 C41 1.953(14) . ?
Au41 O70 2.059(12) . ?
C41 N42 1.330(17) . ?
C41 N45 1.345(17) . ?
N42 C44 1.414(18) . ?
N42 C58 1.423(18) . ?
C43 C44 1.332(19) . ?
C43 N45 1.417(16) . ?
C43 H43A 0.9500 . ?
C44 H44A 0.9500 . ?
N45 C46 1.436(19) . ?
C46 C51 1.37(2) . ?
C46 C47 1.41(2) . ?
C47 C48 1.38(2) . ?
C47 C52 1.53(2) . ?
C48 C49 1.37(2) . ?
C48 H48A 0.9500 . ?
C49 C50 1.37(2) . ?
C49 H49A 0.9500 . ?
C50 C51 1.41(2) . ?
C50 H50A 0.9500 . ?
C51 C55 1.53(2) . ?
C52 C53 1.51(2) . ?
C52 C54 1.56(2) . ?
C52 H52A 1.0000 . ?
C53 H53A 0.9800 . ?
C53 H53B 0.9800 . ?
C53 H53C 0.9800 . ?
C54 H54A 0.9800 . ?
C54 H54B 0.9800 . ?
C54 H54C 0.9800 . ?
C55 C57 1.50(2) . ?
C55 C56 1.58(2) . ?
C55 H55A 1.0000 . ?
C56 H56A 0.9800 . ?
C56 H56B 0.9800 . ?
C56 H56C 0.9800 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 C63 1.39(2) . ?
C58 C59 1.41(2) . ?
C59 C60 1.42(2) . ?
C59 C64 1.48(2) . ?
C60 C61 1.34(3) . ?
C60 H60A 0.9500 . ?
C61 C62 1.36(2) . ?
C61 H61A 0.9500 . ?
C62 C63 1.36(2) . ?
C62 H62A 0.9500 . ?
C63 C67 1.55(2) . ?
C64 C65 1.51(2) . ?
C64 C66 1.56(2) . ?
C64 H64A 1.0000 . ?
C65 H65A 0.9800 . ?
C65 H65B 0.9800 . ?
C65 H65C 0.9800 . ?
C66 H66A 0.9800 . ?
C66 H66B 0.9800 . ?
C66 H66C 0.9800 . ?
C67 C68 1.55(3) . ?
C67 C69 1.56(2) . ?
C67 H67A 1.0000 . ?
C68 H68A 0.9800 . ?
C68 H68B 0.9800 . ?
C68 H68C 0.9800 . ?
C69 H69A 0.9800 . ?
C69 H69B 0.9800 . ?
C69 H69C 0.9800 . ?
O70 C70 1.12(3) . ?
C70 O71 1.23(3) . ?
C70 C71 1.50(3) . ?
C71 H71A 0.9800 . ?
C71 H71B 0.9800 . ?
C71 H71C 0.9800 . ?
C81 Cl2 1.58(2) . ?
C81 Cl1 1.61(2) . ?
C81 Cl3 1.85(3) . ?
C81 H81A 1.0000 . ?
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
N5 C1 N2 C3 -2.9(14) . . . . ?
Au1 C1 N2 C3 174.5(9) . . . . ?
N5 C1 N2 C6 -174.8(15) . . . . ?
Au1 C1 N2 C6 3(2) . . . . ?
C1 N2 C3 C4 4.9(15) . . . . ?
C6 N2 C3 C4 176.5(15) . . . . ?
N2 C3 C4 N5 -4.8(16) . . . . ?
N2 C1 N5 C4 0.0(15) . . . . ?
Au1 C1 N5 C4 -177.4(9) . . . . ?
N2 C1 N5 C18 178.9(12) . . . . ?
Au1 C1 N5 C18 2(2) . . . . ?
C3 C4 N5 C1 3.0(16) . . . . ?
C3 C4 N5 C18 -175.8(14) . . . . ?
C1 N2 C6 C7 85(2) . . . . ?
C3 N2 C6 C7 -84.8(19) . . . . ?
C1 N2 C6 C11 -95.3(19) . . . . ?
C3 N2 C6 C11 95(2) . . . . ?
C11 C6 C7 C12 180(2) . . . . ?
N2 C6 C7 C12 -1(3) . . . . ?
C11 C6 C7 C8 7(3) . . . . ?
N2 C6 C7 C8 -173.9(17) . . . . ?
C6 C7 C8 C9 -1(4) . . . . ?
C12 C7 C8 C9 -175(3) . . . . ?
C7 C8 C9 C10 -5(5) . . . . ?
C8 C9 C10 C11 6(4) . . . . ?
C9 C10 C11 C6 -1(3) . . . . ?
C9 C10 C11 C15 -180(2) . . . . ?
C7 C6 C11 C10 -6(3) . . . . ?
N2 C6 C11 C10 174.8(18) . . . . ?
C7 C6 C11 C15 172.6(19) . . . . ?
N2 C6 C11 C15 -7(3) . . . . ?
C6 C7 C12 C14 -115(2) . . . . ?
C8 C7 C12 C14 57(3) . . . . ?
C6 C7 C12 C13 121(2) . . . . ?
C8 C7 C12 C13 -67(3) . . . . ?
C10 C11 C15 C17 -77(3) . . . . ?
C6 C11 C15 C17 105(2) . . . . ?
C10 C11 C15 C16 44(3) . . . . ?
C6 C11 C15 C16 -134.2(19) . . . . ?
C1 N5 C18 C23 -87.6(17) . . . . ?
C4 N5 C18 C23 91.1(18) . . . . ?
C1 N5 C18 C19 91.2(18) . . . . ?
C4 N5 C18 C19 -90.1(18) . . . . ?
C23 C18 C19 C20 0(2) . . . . ?
N5 C18 C19 C20 -179.1(16) . . . . ?
C23 C18 C19 C24 179.0(17) . . . . ?
N5 C18 C19 C24 0(2) . . . . ?
C18 C19 C20 C21 1(3) . . . . ?
C24 C19 C20 C21 -179(2) . . . . ?
C19 C20 C21 C22 -3(4) . . . . ?
C20 C21 C22 C23 4(4) . . . . ?
C21 C22 C23 C18 -3(3) . . . . ?
C21 C22 C23 C27 177(2) . . . . ?
N5 C18 C23 C22 -179.7(15) . . . . ?
C19 C18 C23 C22 2(2) . . . . ?
N5 C18 C23 C27 0(2) . . . . ?
C19 C18 C23 C27 -178.4(15) . . . . ?
C20 C19 C24 C26 77(3) . . . . ?
C18 C19 C24 C26 -103(2) . . . . ?
C20 C19 C24 C25 -42(3) . . . . ?
C18 C19 C24 C25 138.3(17) . . . . ?
C22 C23 C27 C28 68(2) . . . . ?
C18 C23 C27 C28 -111.8(18) . . . . ?
C22 C23 C27 C29 -55(2) . . . . ?
C18 C23 C27 C29 125.4(18) . . . . ?
Au1 O30 C30 O31 -4(2) . . . . ?
Au1 O30 C30 C31 175.6(11) . . . . ?
N45 C41 N42 C44 4.0(16) . . . . ?
Au41 C41 N42 C44 -175.5(11) . . . . ?
N45 C41 N42 C58 174.1(14) . . . . ?
Au41 C41 N42 C58 -5(2) . . . . ?
N45 C43 C44 N42 0.1(16) . . . . ?
C41 N42 C44 C43 -2.6(17) . . . . ?
C58 N42 C44 C43 -173.2(13) . . . . ?
N42 C41 N45 C43 -4.0(16) . . . . ?
Au41 C41 N45 C43 175.6(10) . . . . ?
N42 C41 N45 C46 -178.2(13) . . . . ?
Au41 C41 N45 C46 1(2) . . . . ?
C44 C43 N45 C41 2.4(16) . . . . ?
C44 C43 N45 C46 177.0(13) . . . . ?
C41 N45 C46 C51 78(2) . . . . ?
C43 N45 C46 C51 -95.6(17) . . . . ?
C41 N45 C46 C47 -100.3(17) . . . . ?
C43 N45 C46 C47 86.1(17) . . . . ?
C51 C46 C47 C48 2(2) . . . . ?
N45 C46 C47 C48 -179.3(13) . . . . ?
C51 C46 C47 C52 -175.9(13) . . . . ?
N45 C46 C47 C52 2(2) . . . . ?
C46 C47 C48 C49 -2(2) . . . . ?
C52 C47 C48 C49 176.6(14) . . . . ?
C47 C48 C49 C50 1(3) . . . . ?
C48 C49 C50 C51 0(3) . . . . ?
C47 C46 C51 C50 -2(2) . . . . ?
N45 C46 C51 C50 179.8(13) . . . . ?
C47 C46 C51 C55 -179.0(13) . . . . ?
N45 C46 C51 C55 3(2) . . . . ?
C49 C50 C51 C46 1(2) . . . . ?
C49 C50 C51 C55 178.0(14) . . . . ?
C48 C47 C52 C53 -86.9(17) . . . . ?
C46 C47 C52 C53 91.3(16) . . . . ?
C48 C47 C52 C54 35(2) . . . . ?
C46 C47 C52 C54 -147.1(14) . . . . ?
C46 C51 C55 C57 116.0(18) . . . . ?
C50 C51 C55 C57 -61.2(19) . . . . ?
C46 C51 C55 C56 -117.5(16) . . . . ?
C50 C51 C55 C56 65.4(18) . . . . ?
C41 N42 C58 C63 90.0(18) . . . . ?
C44 N42 C58 C63 -100.9(17) . . . . ?
C41 N42 C58 C59 -86.5(19) . . . . ?
C44 N42 C58 C59 82.5(17) . . . . ?
C63 C58 C59 C60 -1(2) . . . . ?
N42 C58 C59 C60 175.4(13) . . . . ?
C63 C58 C59 C64 -177.5(14) . . . . ?
N42 C58 C59 C64 -1(2) . . . . ?
C58 C59 C60 C61 3(2) . . . . ?
C64 C59 C60 C61 179.2(16) . . . . ?
C59 C60 C61 C62 -5(3) . . . . ?
C60 C61 C62 C63 6(3) . . . . ?
C61 C62 C63 C58 -4(2) . . . . ?
C61 C62 C63 C67 -176.9(16) . . . . ?
C59 C58 C63 C62 2(2) . . . . ?
N42 C58 C63 C62 -174.6(14) . . . . ?
C59 C58 C63 C67 174.6(14) . . . . ?
N42 C58 C63 C67 -2(2) . . . . ?
C58 C59 C64 C65 106.3(18) . . . . ?
C60 C59 C64 C65 -70(2) . . . . ?
C58 C59 C64 C66 -129.3(16) . . . . ?
C60 C59 C64 C66 55(2) . . . . ?
C62 C63 C67 C68 60(2) . . . . ?
C58 C63 C67 C68 -113.1(18) . . . . ?
C62 C63 C67 C69 -61(2) . . . . ?
C58 C63 C67 C69 125.8(16) . . . . ?
C41 Au41 O70 C70 -174(3) . . . . ?
Au41 O70 C70 C71 -171.7(13) . . . . ?
