#------------------------------------------------------------------------------
#$Date: 2016-03-22 12:19:30 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178945 $
#$URL: svn://www.crystallography.net/cod/cif/4/11/74/4117491.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_4117491
loop_
_publ_author_name
'Ann Christin Jahnke'
'Kevin Pröpper'
'Catherine Bronner'
'Jörg Teichgräber'
'Sebastian Dechert'
'Michael John'
'Oliver S. Wenger'
'Franc Meyer'
_publ_contact_author_address
; Institut für Anorganische Chemie
  Georg August Universität Göttingen
  Tammannstraße 4
  D-37077 Göttingen
  Germany
;
_publ_contact_author_email       franc.meyer@chemie.uni-goettingen.de
_publ_contact_author_fax         49(551)393063
_publ_contact_author_name        'Prof. Dr. Franc Meyer'
_publ_contact_author_phone       49(551)393012
_publ_section_title
;
 A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a
 Second Ring of Coinage Metals Supported by Inter-ring Metallophilic
 Interactions
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2938
_journal_page_last               2941
_journal_paper_doi               10.1021/ja211549e
_journal_volume                  134
_journal_year                    2012
_chemical_formula_moiety         'C69 H57 Au3 N6 S6, C4 H8 O'
_chemical_formula_sum            'C73 H65 Au3 N6 O S6'
_chemical_formula_weight         1825.57
_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                112.73(3)
_cell_angle_beta                 106.90(3)
_cell_angle_gamma                96.19(3)
_cell_formula_units_Z            2
_cell_length_a                   11.310(2)
_cell_length_b                   18.114(4)
_cell_length_c                   18.672(4)
_cell_measurement_reflns_used    9641
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      68.446
_cell_measurement_theta_min      4.113
_cell_volume                     3269.1(17)
_computing_cell_refinement       'SAINT (Bruker 2009)'
_computing_data_collection       'APEX2 (Bruker 2009)'
_computing_data_reduction        'SAINT (Bruker 2009)'
_computing_molecular_graphics    'SHELXTL (Bruker 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 0
_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.971
_diffrn_measurement_device_type  'Bruker SMART 6000'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  'INCOATEC multilayer optics'
_diffrn_radiation_source         'rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            53486
_diffrn_reflns_theta_full        66.59
_diffrn_reflns_theta_max         66.59
_diffrn_reflns_theta_min         2.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    14.589
_exptl_absorpt_correction_T_max  0.7531
_exptl_absorpt_correction_T_min  0.3432
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.855
_exptl_crystal_description       block
_exptl_crystal_F_000             1772
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         6.870
_refine_diff_density_min         -1.787
_refine_diff_density_rms         0.319
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.091
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     799
_refine_ls_number_reflns         11238
_refine_ls_number_restraints     674
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0840
_refine_ls_R_factor_gt           0.0749
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1197P)²+59.4021P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1955
_refine_ls_wR_factor_ref         0.2067
_reflns_number_gt                9732
_reflns_number_total             11238
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja211549e_si_002_7.cif
_cod_data_source_block           2c
_cod_original_cell_volume        3269.1(11)
_cod_database_code               4117491
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
Au1 Au 0.41273(4) -0.03036(3) 0.05336(3) 0.02965(16) Uani 1 1 d U
S1 S 0.2933(4) -0.2900(2) 0.0033(2) 0.0519(8) Uani 1 1 d U
N1 N 0.3703(9) -0.1308(6) -0.0547(5) 0.0271(14) Uani 1 1 d U
C1 C 0.3765(11) -0.2094(7) -0.0718(7) 0.0310(18) Uani 1 1 d U
Au2 Au 0.27741(4) -0.01989(3) -0.12783(3) 0.03040(16) Uani 1 1 d U
S2 S 0.0471(3) -0.2255(2) -0.29764(18) 0.0423(7) Uani 1 1 d U
N2 N 0.3129(9) -0.1267(6) -0.1278(5) 0.0298(15) Uani 1 1 d U
C2 C 0.4275(12) -0.2317(8) -0.0030(7) 0.038(2) Uani 1 1 d U
H2A H 0.4718 -0.1812 0.0500 0.045 Uiso 1 1 calc R
H2B H 0.4891 -0.2655 -0.0139 0.045 Uiso 1 1 calc R
Au3 Au 0.32045(4) 0.13892(3) 0.05453(3) 0.03107(16) Uani 1 1 d U
S3 S 0.2632(4) 0.1065(2) -0.2982(2) 0.0482(7) Uani 1 1 d U
N3 N 0.2288(9) 0.0844(6) -0.1265(6) 0.0314(16) Uani 1 1 d U
C3 C 0.3631(17) -0.3120(10) 0.0888(10) 0.057(3) Uani 1 1 d U
N4 N 0.2273(10) 0.1402(6) -0.0541(6) 0.0338(17) Uani 1 1 d U
S4 S 0.2646(4) 0.3525(2) 0.0593(2) 0.0524(8) Uani 1 1 d U
C4 C 0.285(2) -0.3760(12) 0.0935(12) 0.075(3) Uani 1 1 d U
H4 H 0.2036 -0.4052 0.0513 0.090 Uiso 1 1 calc R
N5 N 0.4107(9) 0.1371(6) 0.1633(6) 0.0310(16) Uani 1 1 d U
S5 S 0.2263(3) 0.25258(19) 0.2345(2) 0.0395(6) Uani 1 1 d U
C5 C 0.328(2) -0.3957(13) 0.1591(12) 0.076(4) Uani 1 1 d U
H5 H 0.2738 -0.4357 0.1641 0.092 Uiso 1 1 calc R
N6 N 0.4424(9) 0.0666(6) 0.1619(5) 0.0312(16) Uani 1 1 d U
S6 S 0.3829(4) -0.0463(2) 0.2739(2) 0.0550(8) Uani 1 1 d U
C6 C 0.4458(18) -0.3586(11) 0.2157(10) 0.063(3) Uani 1 1 d U
H6 H 0.4758 -0.3743 0.2595 0.076 Uiso 1 1 calc R
C7 C 0.523(2) -0.2987(12) 0.2116(11) 0.071(3) Uani 1 1 d U
H7 H 0.6052 -0.2706 0.2537 0.085 Uiso 1 1 calc R
C8 C 0.4812(18) -0.2790(11) 0.1448(11) 0.067(3) Uani 1 1 d U
H8 H 0.5384 -0.2410 0.1391 0.081 Uiso 1 1 calc R
C9 C 0.3173(10) -0.2581(6) -0.1589(7) 0.0275(17) Uani 1 1 d U
C10 C 0.3058(12) -0.3476(7) -0.2063(7) 0.0349(19) Uani 1 1 d U
C11 C 0.4070(13) -0.3813(8) -0.1852(8) 0.040(2) Uani 1 1 d U
H11 H 0.4839 -0.3471 -0.1403 0.048 Uiso 1 1 calc R
C12 C 0.3968(14) -0.4649(8) -0.2294(8) 0.044(2) Uani 1 1 d U
H12 H 0.4665 -0.4877 -0.2143 0.053 Uiso 1 1 calc R
C13 C 0.2851(15) -0.5154(9) -0.2954(9) 0.051(3) Uani 1 1 d U
H13 H 0.2776 -0.5726 -0.3261 0.061 Uiso 1 1 calc R
C14 C 0.1856(15) -0.4806(9) -0.3155(8) 0.049(3) Uani 1 1 d U
H14 H 0.1089 -0.5147 -0.3607 0.059 Uiso 1 1 calc R
C15 C 0.1935(14) -0.3993(9) -0.2726(8) 0.046(2) Uani 1 1 d U
H15 H 0.1227 -0.3773 -0.2877 0.055 Uiso 1 1 calc R
C16 C 0.2160(11) -0.2174(8) -0.2794(7) 0.0342(18) Uani 1 1 d U
H16A H 0.2281 -0.2694 -0.3176 0.041 Uiso 1 1 calc R
H16B H 0.2518 -0.1717 -0.2896 0.041 Uiso 1 1 calc R
C17 C -0.0086(13) -0.2251(10) -0.3968(8) 0.046(2) Uani 1 1 d U
C18 C 0.0244(17) -0.2744(12) -0.4609(10) 0.065(3) Uani 1 1 d U
H18 H 0.0779 -0.3096 -0.4524 0.078 Uiso 1 1 calc R
C19 C -0.0189(19) -0.2736(13) -0.5367(11) 0.072(3) Uani 1 1 d U
H19 H 0.0104 -0.3047 -0.5791 0.087 Uiso 1 1 calc R
C20 C -0.1048(17) -0.2280(12) -0.5525(10) 0.066(3) Uani 1 1 d U
H20 H -0.1338 -0.2266 -0.6050 0.080 Uiso 1 1 calc R
C21 C -0.1468(17) -0.1854(12) -0.4914(11) 0.069(3) Uani 1 1 d U
H21 H -0.2126 -0.1584 -0.5023 0.082 Uiso 1 1 calc R
C22 C -0.0927(16) -0.1816(12) -0.4125(10) 0.062(3) Uani 1 1 d U
H22 H -0.1161 -0.1471 -0.3685 0.074 Uiso 1 1 calc R
C23 C 0.2821(11) -0.2012(7) -0.1910(6) 0.0288(17) Uani 1 1 d U
C24 C 0.1609(13) 0.1001(7) -0.1906(7) 0.039(2) Uani 1 1 d U
C25 C 0.1450(14) 0.0528(8) -0.2768(7) 0.0407(19) Uani 1 1 d U
H25A H 0.0583 0.0474 -0.3137 0.049 Uiso 1 1 calc R
H25B H 0.1563 -0.0033 -0.2866 0.049 Uiso 1 1 calc R
C26 C 0.2487(15) 0.0437(9) -0.4022(8) 0.048(2) Uani 1 1 d U
C27 C 0.1460(15) -0.0236(10) -0.4598(9) 0.051(2) Uani 1 1 d U
H27 H 0.0805 -0.0413 -0.4434 0.061 Uiso 1 1 calc R
C28 C 0.1405(16) -0.0645(11) -0.5414(9) 0.056(3) Uani 1 1 d U
H28 H 0.0703 -0.1100 -0.5810 0.067 Uiso 1 1 calc R
C29 C 0.2356(17) -0.0396(11) -0.5649(9) 0.057(3) Uani 1 1 d U
H29 H 0.2303 -0.0678 -0.6210 0.068 Uiso 1 1 calc R
C30 C 0.3384(16) 0.0254(10) -0.5086(9) 0.053(3) Uani 1 1 d U
H30 H 0.4040 0.0419 -0.5256 0.064 Uiso 1 1 calc R
C31 C 0.3464(16) 0.0678(10) -0.4255(9) 0.053(2) Uani 1 1 d U
H31 H 0.4179 0.1124 -0.3859 0.063 Uiso 1 1 calc R
C32 C 0.1170(14) 0.1721(8) -0.1547(7) 0.043(2) Uani 1 1 d U
C33 C 0.0427(17) 0.2136(9) -0.1973(8) 0.055(2) Uani 1 1 d U
C34 C -0.0825(18) 0.2073(10) -0.2089(11) 0.071(3) Uani 1 1 d U
H34 H -0.1226 0.1736 -0.1899 0.086 Uiso 1 1 calc R
C35 C -0.153(2) 0.2475(11) -0.2468(12) 0.081(4) Uani 1 1 d U
H35 H -0.2396 0.2446 -0.2510 0.098 Uiso 1 1 calc R
C36 C -0.098(2) 0.2919(11) -0.2783(11) 0.079(3) Uani 1 1 d U
H36 H -0.1497 0.3146 -0.3101 0.094 Uiso 1 1 calc R
C37 C 0.028(2) 0.3047(11) -0.2656(10) 0.071(3) Uani 1 1 d U
H37 H 0.0675 0.3417 -0.2814 0.085 Uiso 1 1 calc R
C38 C 0.099(2) 0.2612(10) -0.2280(9) 0.063(3) Uani 1 1 d U
H38 H 0.1855 0.2642 -0.2236 0.076 Uiso 1 1 calc R
C39 C 0.1383(14) 0.2591(8) 0.0003(7) 0.043(2) Uani 1 1 d U
H39A H 0.1244 0.2370 0.0389 0.052 Uiso 1 1 calc R
H39B H 0.0588 0.2731 -0.0241 0.052 Uiso 1 1 calc R
C40 C 0.2391(19) 0.3987(11) -0.0110(10) 0.062(2) Uani 1 1 d U
C41 C 0.124(2) 0.4201(11) -0.0375(11) 0.069(3) Uani 1 1 d U
H41 H 0.0552 0.4061 -0.0221 0.083 Uiso 1 1 calc R
C42 C 0.113(2) 0.4620(13) -0.0865(12) 0.078(3) Uani 1 1 d U
H42 H 0.0375 0.4797 -0.1022 0.094 Uiso 1 1 calc R
C43 C 0.212(2) 0.4780(13) -0.1128(13) 0.083(3) Uani 1 1 d U
H43 H 0.2019 0.5027 -0.1502 0.099 Uiso 1 1 calc R
C44 C 0.326(2) 0.4582(13) -0.0846(13) 0.080(3) Uani 1 1 d U
H44 H 0.3960 0.4737 -0.0986 0.096 Uiso 1 1 calc R
C45 C 0.338(2) 0.4159(11) -0.0360(11) 0.070(3) Uani 1 1 d U
H45 H 0.4144 0.3989 -0.0200 0.084 Uiso 1 1 calc R
C46 C 0.1615(12) 0.1933(7) -0.0676(7) 0.0334(18) Uani 1 1 d U
C47 C 0.4289(10) 0.1897(7) 0.2413(7) 0.0272(16) Uani 1 1 d U
C48 C 0.3986(11) 0.2697(7) 0.2605(8) 0.0340(18) Uani 1 1 d U
H48A H 0.4255 0.2950 0.2274 0.041 Uiso 1 1 calc R
H48B H 0.4439 0.3074 0.3203 0.041 Uiso 1 1 calc R
C49 C 0.1956(14) 0.3462(8) 0.2373(9) 0.044(2) Uani 1 1 d U
C50 C 0.0718(15) 0.3444(10) 0.1928(9) 0.049(2) Uani 1 1 d U
H50 H 0.0094 0.2931 0.1623 0.059 Uiso 1 1 calc R
C51 C 0.0379(17) 0.4125(10) 0.1914(10) 0.056(3) Uani 1 1 d U
H51 H -0.0463 0.4090 0.1587 0.067 Uiso 1 1 calc R
C52 C 0.1259(17) 0.4874(11) 0.2379(11) 0.062(3) Uani 1 1 d U
H52 H 0.1002 0.5363 0.2406 0.074 Uiso 1 1 calc R
C53 C 0.2526(17) 0.4930(10) 0.2812(11) 0.059(3) Uani 1 1 d U
H53 H 0.3144 0.5445 0.3091 0.070 Uiso 1 1 calc R
C54 C 0.2880(16) 0.4203(9) 0.2830(10) 0.052(3) Uani 1 1 d U
H54 H 0.3723 0.4227 0.3145 0.063 Uiso 1 1 calc R
C55 C 0.4813(11) 0.1532(7) 0.2954(7) 0.0299(13) Uani 1 1 d U
C56 C 0.5108(12) 0.1880(8) 0.3851(7) 0.0357(19) Uani 1 1 d U
C57 C 0.4354(14) 0.2317(9) 0.4230(8) 0.046(2) Uani 1 1 d U
H57 H 0.3619 0.2407 0.3903 0.055 Uiso 1 1 calc R
C58 C 0.4666(16) 0.2626(9) 0.5092(8) 0.052(3) Uani 1 1 d U
H58 H 0.4154 0.2935 0.5349 0.063 Uiso 1 1 calc R
C59 C 0.5689(16) 0.2486(10) 0.5558(9) 0.056(3) Uani 1 1 d U
H59 H 0.5874 0.2680 0.6139 0.067 Uiso 1 1 calc R
C60 C 0.6470(16) 0.2068(9) 0.5206(9) 0.055(3) Uani 1 1 d U
H60 H 0.7221 0.2004 0.5546 0.066 Uiso 1 1 calc R
C61 C 0.6160(14) 0.1742(8) 0.4361(8) 0.045(2) Uani 1 1 d U
H61 H 0.6667 0.1417 0.4114 0.054 Uiso 1 1 calc R
C62 C 0.4858(11) 0.0747(7) 0.2402(7) 0.0299(13) Uani 1 1 d U
C63 C 0.5126(13) 0.0033(8) 0.2552(8) 0.0375(17) Uani 1 1 d U
H63A H 0.5924 0.0217 0.3041 0.045 Uiso 1 1 calc R
H63B H 0.5256 -0.0374 0.2063 0.045 Uiso 1 1 calc R
C64 C 0.2477(15) -0.0367(11) 0.2023(11) 0.057(2) Uani 1 1 d U
C65 C 0.1878(15) 0.0255(11) 0.2347(12) 0.062(3) Uani 1 1 d U
H65 H 0.2180 0.0606 0.2928 0.074 Uiso 1 1 calc R
C66 C 0.0872(15) 0.0345(12) 0.1821(12) 0.064(3) Uani 1 1 d U
H66 H 0.0466 0.0767 0.2039 0.077 Uiso 1 1 calc R
C67 C 0.0400(16) -0.0163(11) 0.0960(12) 0.065(3) Uani 1 1 d U
H67 H -0.0321 -0.0087 0.0606 0.078 Uiso 1 1 calc R
C68 C 0.0979(16) -0.0773(11) 0.0626(12) 0.063(3) Uani 1 1 d U
H68 H 0.0685 -0.1111 0.0043 0.076 Uiso 1 1 calc R
C69 C 0.2012(16) -0.0876(11) 0.1175(11) 0.062(3) Uani 1 1 d U
H69 H 0.2406 -0.1306 0.0962 0.074 Uiso 1 1 calc R
O1_1 O 0.1503(16) 0.5558(10) 0.4913(11) 0.098(4) Uani 1 1 d U
C1_1 C 0.134(2) 0.4692(13) 0.4476(14) 0.081(4) Uani 1 1 d U
H1A_1 H 0.1166 0.4543 0.3879 0.097 Uiso 1 1 calc R
H1B_1 H 0.0601 0.4393 0.4518 0.097 Uiso 1 1 calc R
C2_1 C 0.246(2) 0.4434(14) 0.4802(13) 0.080(4) Uani 1 1 d U
H2A_1 H 0.2667 0.4025 0.4350 0.096 Uiso 1 1 calc R
H2B_1 H 0.2365 0.4202 0.5187 0.096 Uiso 1 1 calc R
C3_1 C 0.353(2) 0.5303(16) 0.5285(17) 0.100(5) Uani 1 1 d U
H3A_1 H 0.4025 0.5398 0.5859 0.120 Uiso 1 1 calc R
H3B_1 H 0.4123 0.5309 0.4987 0.120 Uiso 1 1 calc R
C4_1 C 0.288(2) 0.5878(16) 0.5297(17) 0.100(5) Uani 1 1 d U
H4A_1 H 0.3162 0.6177 0.5005 0.120 Uiso 1 1 calc R
H4B_1 H 0.3100 0.6283 0.5883 0.120 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 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.3331 0.5567 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -4.4197 7.2980 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
N1 Au1 N6 175.6(4) . .
N1 Au1 Au2 103.1(3) . 2_655
N6 Au1 Au2 80.8(3) . 2_655
N1 Au1 Au3 120.2(2) . .
N6 Au1 Au3 59.9(2) . .
Au2 Au1 Au3 106.88(4) 2_655 .
N1 Au1 Au2 60.5(2) . .
N6 Au1 Au2 119.9(2) . .
Au2 Au1 Au2 115.20(3) 2_655 .
Au3 Au1 Au2 60.03(3) . .
C3 S1 C2 104.0(7) . .
C1 N1 N2 108.7(9) . .
C1 N1 Au1 131.8(7) . .
N2 N1 Au1 119.2(7) . .
N1 C1 C9 108.4(9) . .
N1 C1 C2 119.6(10) . .
C9 C1 C2 131.7(11) . .
N3 Au2 N2 175.4(4) . .
N3 Au2 Au1 104.7(3) . 2_655
N2 Au2 Au1 79.3(3) . 2_655
N3 Au2 Au3 60.3(3) . .
N2 Au2 Au3 118.6(3) . .
Au1 Au2 Au3 82.01(5) 2_655 .
N3 Au2 Au1 119.8(3) . .
N2 Au2 Au1 59.6(3) . .
Au1 Au2 Au1 64.80(3) 2_655 .
Au3 Au2 Au1 59.48(3) . .
C17 S2 C16 101.3(6) . .
C23 N2 N1 109.5(8) . .
C23 N2 Au2 129.7(7) . .
N1 N2 Au2 120.6(7) . .
C1 C2 S1 107.3(9) . .
C1 C2 H2A 110.3 . .
S1 C2 H2A 110.3 . .
C1 C2 H2B 110.3 . .
S1 C2 H2B 110.3 . .
H2A C2 H2B 108.5 . .
N5 Au3 N4 179.0(4) . .
N5 Au3 Au1 60.9(3) . .
N4 Au3 Au1 119.2(3) . .
N5 Au3 Au2 121.2(3) . .
N4 Au3 Au2 59.0(3) . .
Au1 Au3 Au2 60.48(3) . .
C26 S3 C25 106.8(7) . .
N4 N3 C24 109.6(9) . .
N4 N3 Au2 117.1(6) . .
C24 N3 Au2 130.3(8) . .
C8 C3 C4 117.4(14) . .
C8 C3 S1 127.1(12) . .
C4 C3 S1 115.4(13) . .
C46 N4 N3 110.0(9) . .
C46 N4 Au3 128.7(8) . .
N3 N4 Au3 121.3(7) . .
C40 S4 C39 101.1(7) . .
C5 C4 C3 120.1(18) . .
C5 C4 H4 120.0 . .
C3 C4 H4 120.0 . .
C47 N5 N6 109.6(8) . .
C47 N5 Au3 130.9(7) . .
N6 N5 Au3 118.5(7) . .
C49 S5 C48 104.0(6) . .
C6 C5 C4 120.2(18) . .
C6 C5 H5 119.9 . .
C4 C5 H5 119.9 . .
C62 N6 N5 108.8(9) . .
C62 N6 Au1 130.5(8) . .
N5 N6 Au1 120.6(7) . .
C64 S6 C63 100.5(6) . .
C5 C6 C7 120.8(16) . .
C5 C6 H6 119.6 . .
C7 C6 H6 119.6 . .
C6 C7 C8 119.4(18) . .
C6 C7 H7 120.3 . .
C8 C7 H7 120.3 . .
C3 C8 C7 121.7(17) . .
C3 C8 H8 119.2 . .
C7 C8 H8 119.2 . .
C1 C9 C23 104.7(9) . .
C1 C9 C10 127.3(10) . .
C23 C9 C10 127.8(10) . .
C11 C10 C15 118.8(12) . .
C11 C10 C9 120.1(11) . .
C15 C10 C9 121.1(11) . .
C10 C11 C12 120.3(13) . .
C10 C11 H11 119.8 . .
C12 C11 H11 119.8 . .
C13 C12 C11 120.3(13) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C14 C13 C12 118.5(13) . .
C14 C13 H13 120.8 . .
C12 C13 H13 120.8 . .
C15 C14 C13 122.0(14) . .
C15 C14 H14 119.0 . .
C13 C14 H14 119.0 . .
C14 C15 C10 120.1(14) . .
C14 C15 H15 120.0 . .
C10 C15 H15 120.0 . .
C23 C16 S2 108.0(8) . .
C23 C16 H16A 110.1 . .
S2 C16 H16A 110.1 . .
C23 C16 H16B 110.1 . .
S2 C16 H16B 110.1 . .
H16A C16 H16B 108.4 . .
C22 C17 C18 118.3(13) . .
C22 C17 S2 120.3(12) . .
C18 C17 S2 121.1(11) . .
C19 C18 C17 120.6(16) . .
C19 C18 H18 119.7 . .
C17 C18 H18 119.7 . .
C18 C19 C20 120.8(17) . .
C18 C19 H19 119.6 . .
C20 C19 H19 119.6 . .
C21 C20 C19 118.4(14) . .
C21 C20 H20 120.8 . .
C19 C20 H20 120.8 . .
C20 C21 C22 119.5(15) . .
C20 C21 H21 120.3 . .
C22 C21 H21 120.3 . .
C17 C22 C21 122.0(16) . .
C17 C22 H22 119.0 . .
C21 C22 H22 119.0 . .
N2 C23 C9 108.7(9) . .
N2 C23 C16 122.5(10) . .
C9 C23 C16 128.8(10) . .
N3 C24 C32 107.2(10) . .
N3 C24 C25 124.1(11) . .
C32 C24 C25 128.6(10) . .
C24 C25 S3 107.7(10) . .
C24 C25 H25A 110.2 . .
S3 C25 H25A 110.2 . .
C24 C25 H25B 110.2 . .
S3 C25 H25B 110.2 . .
H25A C25 H25B 108.5 . .
C31 C26 C27 120.3(13) . .
C31 C26 S3 115.2(12) . .
C27 C26 S3 124.5(12) . .
C28 C27 C26 119.3(15) . .
C28 C27 H27 120.3 . .
C26 C27 H27 120.3 . .
C29 C28 C27 120.4(16) . .
C29 C28 H28 119.8 . .
C27 C28 H28 119.8 . .
C28 C29 C30 120.8(15) . .
C28 C29 H29 119.6 . .
C30 C29 H29 119.6 . .
C29 C30 C31 119.9(15) . .
C29 C30 H30 120.1 . .
C31 C30 H30 120.1 . .
C26 C31 C30 119.2(16) . .
C26 C31 H31 120.4 . .
C30 C31 H31 120.4 . .
C46 C32 C24 104.3(9) . .
C46 C32 C33 127.9(12) . .
C24 C32 C33 127.8(11) . .
C34 C33 C38 118.0(14) . .
C34 C33 C32 121.4(15) . .
C38 C33 C32 120.6(16) . .
C33 C34 C35 122(2) . .
C33 C34 H34 118.8 . .
C35 C34 H34 118.8 . .
C36 C35 C34 119(2) . .
C36 C35 H35 120.5 . .
C34 C35 H35 120.5 . .
C37 C36 C35 122.0(16) . .
C37 C36 H36 119.0 . .
C35 C36 H36 119.0 . .
C36 C37 C38 117.9(18) . .
C36 C37 H37 121.1 . .
C38 C37 H37 121.1 . .
C33 C38 C37 120.2(19) . .
C33 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C46 C39 S4 115.0(10) . .
C46 C39 H39A 108.5 . .
S4 C39 H39A 108.5 . .
C46 C39 H39B 108.5 . .
S4 C39 H39B 108.5 . .
H39A C39 H39B 107.5 . .
C45 C40 C41 120.7(16) . .
C45 C40 S4 117.9(14) . .
C41 C40 S4 121.3(14) . .
C42 C41 C40 119(2) . .
C42 C41 H41 120.4 . .
C40 C41 H41 120.4 . .
C41 C42 C43 120(2) . .
C41 C42 H42 120.1 . .
C43 C42 H42 120.1 . .
C44 C43 C42 120.1(18) . .
C44 C43 H43 119.9 . .
C42 C43 H43 119.9 . .
C43 C44 C45 120(2) . .
C43 C44 H44 119.8 . .
C45 C44 H44 119.8 . .
C44 C45 C40 119(2) . .
C44 C45 H45 120.3 . .
C40 C45 H45 120.3 . .
N4 C46 C32 108.9(10) . .
N4 C46 C39 121.9(10) . .
C32 C46 C39 129.1(11) . .
N5 C47 C55 108.5(9) . .
N5 C47 C48 121.2(9) . .
C55 C47 C48 130.3(10) . .
C47 C48 S5 107.7(8) . .
C47 C48 H48A 110.2 . .
S5 C48 H48A 110.2 . .
C47 C48 H48B 110.2 . .
S5 C48 H48B 110.2 . .
H48A C48 H48B 108.5 . .
C54 C49 C50 120.1(13) . .
C54 C49 S5 122.5(11) . .
C50 C49 S5 117.4(11) . .
C51 C50 C49 122.2(16) . .
C51 C50 H50 118.9 . .
C49 C50 H50 118.9 . .
C50 C51 C52 119.3(16) . .
C50 C51 H51 120.4 . .
C52 C51 H51 120.4 . .
C51 C52 C53 121.2(15) . .
C51 C52 H52 119.4 . .
C53 C52 H52 119.4 . .
C52 C53 C54 119.1(16) . .
C52 C53 H53 120.4 . .
C54 C53 H53 120.4 . .
C49 C54 C53 117.8(15) . .
C49 C54 H54 121.1 . .
C53 C54 H54 121.1 . .
C62 C55 C47 103.6(9) . .
C62 C55 C56 129.5(9) . .
C47 C55 C56 126.7(10) . .
C57 C56 C61 117.3(11) . .
C57 C56 C55 122.7(11) . .
C61 C56 C55 119.9(11) . .
C56 C57 C58 120.5(13) . .
C56 C57 H57 119.7 . .
C58 C57 H57 119.7 . .
C59 C58 C57 120.2(14) . .
C59 C58 H58 119.9 . .
C57 C58 H58 119.9 . .
C58 C59 C60 120.9(13) . .
C58 C59 H59 119.5 . .
C60 C59 H59 119.5 . .
C61 C60 C59 119.6(14) . .
C61 C60 H60 120.2 . .
C59 C60 H60 120.2 . .
C60 C61 C56 121.3(13) . .
C60 C61 H61 119.4 . .
C56 C61 H61 119.4 . .
N6 C62 C55 109.4(9) . .
N6 C62 C63 119.7(10) . .
C55 C62 C63 130.3(10) . .
C62 C63 S6 111.9(9) . .
C62 C63 H63A 109.2 . .
S6 C63 H63A 109.2 . .
C62 C63 H63B 109.2 . .
S6 C63 H63B 109.2 . .
H63A C63 H63B 107.9 . .
C69 C64 C65 119.5(16) . .
C69 C64 S6 122.7(14) . .
C65 C64 S6 117.7(13) . .
C66 C65 C64 118.8(18) . .
C66 C65 H65 120.6 . .
C64 C65 H65 120.6 . .
C65 C66 C67 122.1(18) . .
C65 C66 H66 119.0 . .
C67 C66 H66 119.0 . .
C68 C67 C66 120.2(17) . .
C68 C67 H67 119.9 . .
C66 C67 H67 119.9 . .
C67 C68 C69 117.7(18) . .
C67 C68 H68 121.2 . .
C69 C68 H68 121.2 . .
C64 C69 C68 121.6(18) . .
C64 C69 H69 119.2 . .
C68 C69 H69 119.2 . .
C1_1 O1_1 C4_1 103.2(17) . .
O1_1 C1_1 C2_1 111.9(19) . .
O1_1 C1_1 H1A_1 109.2 . .
C2_1 C1_1 H1A_1 109.2 . .
O1_1 C1_1 H1B_1 109.2 . .
C2_1 C1_1 H1B_1 109.2 . .
H1A_1 C1_1 H1B_1 107.9 . .
C1_1 C2_1 C3_1 100.7(19) . .
C1_1 C2_1 H2A_1 111.6 . .
C3_1 C2_1 H2A_1 111.6 . .
C1_1 C2_1 H2B_1 111.6 . .
C3_1 C2_1 H2B_1 111.6 . .
H2A_1 C2_1 H2B_1 109.4 . .
C4_1 C3_1 C2_1 105(2) . .
C4_1 C3_1 H3A_1 110.6 . .
C2_1 C3_1 H3A_1 110.6 . .
C4_1 C3_1 H3B_1 110.6 . .
C2_1 C3_1 H3B_1 110.6 . .
H3A_1 C3_1 H3B_1 108.8 . .
C3_1 C4_1 O1_1 114(2) . .
C3_1 C4_1 H4A_1 108.6 . .
O1_1 C4_1 H4A_1 108.6 . .
C3_1 C4_1 H4B_1 108.6 . .
O1_1 C4_1 H4B_1 108.6 . .
H4A_1 C4_1 H4B_1 107.6 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 2.006(9) .
Au1 N6 2.008(9) .
Au1 Au2 3.2472(13) 2_655
Au1 Au3 3.3383(10) .
Au1 Au2 3.3723(11) .
S1 C3 1.776(14) .
S1 C2 1.814(13) .
N1 C1 1.348(15) .
N1 N2 1.365(12) .
C1 C9 1.414(16) .
C1 C2 1.472(14) .
Au2 N3 2.016(9) .
Au2 N2 2.018(9) .
Au2 Au1 3.2471(13) 2_655
Au2 Au3 3.3572(17) .
S2 C17 1.777(12) .
S2 C16 1.819(12) .
N2 C23 1.328(15) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
Au3 N5 2.005(8) .
Au3 N4 2.005(9) .
S3 C26 1.777(14) .
S3 C25 1.797(14) .
N3 N4 1.346(14) .
N3 C24 1.371(13) .
C3 C8 1.33(2) .
C3 C4 1.43(2) .
N4 C46 1.333(15) .
S4 C40 1.784(15) .
S4 C39 1.800(15) .
C4 C5 1.37(2) .
C4 H4 0.9500 .
N5 C47 1.335(15) .
N5 N6 1.357(13) .
S5 C49 1.752(13) .
S5 C48 1.826(12) .
C5 C6 1.33(3) .
C5 H5 0.9500 .
N6 C62 1.342(13) .
S6 C64 1.791(16) .
S6 C63 1.827(14) .
C6 C7 1.36(3) .
C6 H6 0.9500 .
C7 C8 1.39(2) .
C7 H7 0.9500 .
C8 H8 0.9500 .
C9 C23 1.416(14) .
C9 C10 1.487(15) .
C10 C11 1.383(18) .
C10 C15 1.398(19) .
C11 C12 1.389(18) .
C11 H11 0.9500 .
C12 C13 1.39(2) .
C12 H12 0.9500 .
C13 C14 1.38(2) .
C13 H13 0.9500 .
C14 C15 1.36(2) .
C14 H14 0.9500 .
C15 H15 0.9500 .
C16 C23 1.494(14) .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C17 C22 1.34(2) .
C17 C18 1.37(2) .
C18 C19 1.36(2) .
C18 H18 0.9500 .
C19 C20 1.38(2) .
C19 H19 0.9500 .
C20 C21 1.36(2) .
C20 H20 0.9500 .
C21 C22 1.39(2) .
C21 H21 0.9500 .
C22 H22 0.9500 .
C24 C32 1.433(18) .
C24 C25 1.446(16) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 C31 1.39(2) .
C26 C27 1.39(2) .
C27 C28 1.39(2) .
C27 H27 0.9500 .
C28 C29 1.37(2) .
C28 H28 0.9500 .
C29 C30 1.37(2) .
C29 H29 0.9500 .
C30 C31 1.41(2) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C32 C46 1.430(16) .
C32 C33 1.453(15) .
C33 C34 1.35(3) .
C33 C38 1.40(2) .
C34 C35 1.37(2) .
C34 H34 0.9500 .
C35 C36 1.36(3) .
C35 H35 0.9500 .
C36 C37 1.36(3) .
C36 H36 0.9500 .
C37 C38 1.41(2) .
C37 H37 0.9500 .
C38 H38 0.9500 .
C39 C46 1.480(16) .
C39 H39A 0.9900 .
C39 H39B 0.9900 .
C40 C45 1.39(3) .
C40 C41 1.40(3) .
C41 C42 1.38(3) .
C41 H41 0.9500 .
C42 C43 1.40(3) .
C42 H42 0.9500 .
C43 C44 1.38(3) .
C43 H43 0.9500 .
C44 C45 1.38(3) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C47 C55 1.436(13) .
C47 C48 1.458(15) .
C48 H48A 0.9900 .
C48 H48B 0.9900 .
C49 C54 1.38(2) .
C49 C50 1.40(2) .
C50 C51 1.34(2) .
C50 H50 0.9500 .
C51 C52 1.37(2) .
C51 H51 0.9500 .
C52 C53 1.40(2) .
C52 H52 0.9500 .
C53 C54 1.43(2) .
C53 H53 0.9500 .
C54 H54 0.9500 .
C55 C62 1.413(16) .
C55 C56 1.457(15) .
C56 C57 1.386(18) .
C56 C61 1.405(17) .
C57 C58 1.399(18) .
C57 H57 0.9500 .
C58 C59 1.34(2) .
C58 H58 0.9500 .
C59 C60 1.37(2) .
C59 H59 0.9500 .
C60 C61 1.370(19) .
C60 H60 0.9500 .
C61 H61 0.9500 .
C62 C63 1.469(14) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 C69 1.38(2) .
C64 C65 1.40(2) .
C65 C66 1.34(2) .
C65 H65 0.9500 .
C66 C67 1.40(3) .
C66 H66 0.9500 .
C67 C68 1.38(3) .
C67 H67 0.9500 .
C68 C69 1.40(2) .
C68 H68 0.9500 .
C69 H69 0.9500 .
O1_1 C1_1 1.42(3) .
O1_1 C4_1 1.45(3) .
C1_1 C2_1 1.45(3) .
C1_1 H1A_1 0.9900 .
C1_1 H1B_1 0.9900 .
C2_1 C3_1 1.61(3) .
C2_1 H2A_1 0.9900 .
C2_1 H2B_1 0.9900 .
C3_1 C4_1 1.33(3) .
C3_1 H3A_1 0.9900 .
C3_1 H3B_1 0.9900 .
C4_1 H4A_1 0.9900 .
C4_1 H4B_1 0.9900 .
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_4
N6 Au1 N1 C1 -77(5) . .
Au2 Au1 N1 C1 74.1(10) 2_655 .
Au3 Au1 N1 C1 -167.2(9) . .
Au2 Au1 N1 C1 -174.1(11) . .
N6 Au1 N1 N2 96(5) . .
Au2 Au1 N1 N2 -113.3(7) 2_655 .
Au3 Au1 N1 N2 5.4(9) . .
Au2 Au1 N1 N2 -1.5(7) . .
N2 N1 C1 C9 -1.9(13) . .
Au1 N1 C1 C9 171.3(8) . .
N2 N1 C1 C2 -176.3(10) . .
Au1 N1 C1 C2 -3.1(17) . .
N1 Au1 Au2 N3 175.7(4) . .
N6 Au1 Au2 N3 0.8(5) . .
Au2 Au1 Au2 N3 -93.1(3) 2_655 .
Au3 Au1 Au2 N3 2.6(3) . .
N1 Au1 Au2 N2 1.0(4) . .
N6 Au1 Au2 N2 -173.9(5) . .
Au2 Au1 Au2 N2 92.2(3) 2_655 .
Au3 Au1 Au2 N2 -172.1(3) . .
N1 Au1 Au2 Au1 -91.2(3) . 2_655
N6 Au1 Au2 Au1 93.9(3) . 2_655
Au2 Au1 Au2 Au1 0.0 2_655 2_655
Au3 Au1 Au2 Au1 95.69(4) . 2_655
N1 Au1 Au2 Au3 173.1(3) . .
N6 Au1 Au2 Au3 -1.8(3) . .
Au2 Au1 Au2 Au3 -95.69(4) 2_655 .
C1 N1 N2 C23 0.2(12) . .
Au1 N1 N2 C23 -174.0(7) . .
C1 N1 N2 Au2 176.7(7) . .
Au1 N1 N2 Au2 2.5(11) . .
N3 Au2 N2 C23 91(5) . .
Au1 Au2 N2 C23 -118.9(10) 2_655 .
Au3 Au2 N2 C23 166.4(9) . .
Au1 Au2 N2 C23 174.2(11) . .
N3 Au2 N2 N1 -85(5) . .
Au1 Au2 N2 N1 65.4(8) 2_655 .
Au3 Au2 N2 N1 -9.3(9) . .
Au1 Au2 N2 N1 -1.5(7) . .
N1 C1 C2 S1 106.3(11) . .
C9 C1 C2 S1 -66.6(16) . .
C3 S1 C2 C1 -178.7(10) . .
N1 Au1 Au3 N5 176.9(4) . .
N6 Au1 Au3 N5 2.0(5) . .
Au2 Au1 Au3 N5 -66.3(3) 2_655 .
Au2 Au1 Au3 N5 -176.1(3) . .
N1 Au1 Au3 N4 -2.0(5) . .
N6 Au1 Au3 N4 -176.9(5) . .
Au2 Au1 Au3 N4 114.8(3) 2_655 .
Au2 Au1 Au3 N4 5.0(3) . .
N1 Au1 Au3 Au2 -6.9(3) . .
N6 Au1 Au3 Au2 178.2(3) . .
Au2 Au1 Au3 Au2 109.80(4) 2_655 .
N3 Au2 Au3 N5 -173.4(5) . .
N2 Au2 Au3 N5 11.7(5) . .
Au1 Au2 Au3 N5 -61.4(3) 2_655 .
Au1 Au2 Au3 N5 3.9(3) . .
N3 Au2 Au3 N4 7.7(5) . .
N2 Au2 Au3 N4 -167.2(5) . .
Au1 Au2 Au3 N4 119.7(4) 2_655 .
Au1 Au2 Au3 N4 -174.9(4) . .
N3 Au2 Au3 Au1 -177.4(3) . .
N2 Au2 Au3 Au1 7.8(3) . .
Au1 Au2 Au3 Au1 -65.39(3) 2_655 .
N2 Au2 N3 N4 67(5) . .
Au1 Au2 N3 N4 -82.7(8) 2_655 .
Au3 Au2 N3 N4 -11.1(7) . .
Au1 Au2 N3 N4 -13.7(9) . .
N2 Au2 N3 C24 -91(5) . .
Au1 Au2 N3 C24 119.2(11) 2_655 .
Au3 Au2 N3 C24 -169.2(13) . .
Au1 Au2 N3 C24 -171.8(10) . .
C2 S1 C3 C8 12(2) . .
C2 S1 C3 C4 -163.4(15) . .
C24 N3 N4 C46 -0.6(14) . .
Au2 N3 N4 C46 -163.0(8) . .
C24 N3 N4 Au3 -178.5(9) . .
Au2 N3 N4 Au3 19.1(11) . .
N5 Au3 N4 C46 69(24) . .
Au1 Au3 N4 C46 165.7(10) . .
Au2 Au3 N4 C46 170.7(12) . .
N5 Au3 N4 N3 -113(23) . .
Au1 Au3 N4 N3 -16.8(10) . .
Au2 Au3 N4 N3 -11.8(7) . .
C8 C3 C4 C5 7(3) . .
S1 C3 C4 C5 -177.4(18) . .
N4 Au3 N5 C47 -73(24) . .
Au1 Au3 N5 C47 -170.1(11) . .
Au2 Au3 N5 C47 -174.0(9) . .
N4 Au3 N5 N6 94(23) . .
Au1 Au3 N5 N6 -3.0(7) . .
Au2 Au3 N5 N6 -6.9(9) . .
C3 C4 C5 C6 -4(3) . .
C47 N5 N6 C62 -2.1(13) . .
Au3 N5 N6 C62 -171.8(8) . .
C47 N5 N6 Au1 174.7(7) . .
Au3 N5 N6 Au1 5.0(12) . .
N1 Au1 N6 C62 80(5) . .
Au2 Au1 N6 C62 -71.3(11) 2_655 .
Au3 Au1 N6 C62 173.0(12) . .
Au2 Au1 N6 C62 174.8(10) . .
N1 Au1 N6 N5 -96(5) . .
Au2 Au1 N6 N5 112.7(9) 2_655 .
Au3 Au1 N6 N5 -3.0(7) . .
Au2 Au1 N6 N5 -1.2(10) . .
C4 C5 C6 C7 3(3) . .
C5 C6 C7 C8 -3(3) . .
C4 C3 C8 C7 -7(3) . .
S1 C3 C8 C7 177.1(16) . .
C6 C7 C8 C3 6(3) . .
N1 C1 C9 C23 2.7(13) . .
C2 C1 C9 C23 176.2(13) . .
N1 C1 C9 C10 177.7(11) . .
C2 C1 C9 C10 -9(2) . .
C1 C9 C10 C11 -40.1(18) . .
C23 C9 C10 C11 133.7(13) . .
C1 C9 C10 C15 139.9(13) . .
C23 C9 C10 C15 -46.3(18) . .
C15 C10 C11 C12 0.0(19) . .
C9 C10 C11 C12 -179.9(11) . .
C10 C11 C12 C13 0(2) . .
C11 C12 C13 C14 0(2) . .
C12 C13 C14 C15 0(2) . .
C13 C14 C15 C10 1(2) . .
C11 C10 C15 C14 -0.6(19) . .
C9 C10 C15 C14 179.4(12) . .
C17 S2 C16 C23 169.7(9) . .
C16 S2 C17 C22 -138.3(14) . .
C16 S2 C17 C18 47.4(16) . .
C22 C17 C18 C19 6(3) . .
S2 C17 C18 C19 -180.0(16) . .
C17 C18 C19 C20 -5(3) . .
C18 C19 C20 C21 -1(3) . .
C19 C20 C21 C22 7(3) . .
C18 C17 C22 C21 0(3) . .
S2 C17 C22 C21 -174.3(15) . .
C20 C21 C22 C17 -6(3) . .
N1 N2 C23 C9 1.5(13) . .
Au2 N2 C23 C9 -174.5(8) . .
N1 N2 C23 C16 179.1(10) . .
Au2 N2 C23 C16 3.1(17) . .
C1 C9 C23 N2 -2.6(13) . .
C10 C9 C23 N2 -177.5(11) . .
C1 C9 C23 C16 180.0(12) . .
C10 C9 C23 C16 5(2) . .
S2 C16 C23 N2 -79.6(13) . .
S2 C16 C23 C9 97.6(13) . .
N4 N3 C24 C32 1.4(15) . .
Au2 N3 C24 C32 160.8(9) . .
N4 N3 C24 C25 178.9(12) . .
Au2 N3 C24 C25 -22(2) . .
N3 C24 C25 S3 -96.5(13) . .
C32 C24 C25 S3 80.4(17) . .
C26 S3 C25 C24 176.2(9) . .
C25 S3 C26 C31 -169.3(10) . .
C25 S3 C26 C27 13.3(13) . .
C31 C26 C27 C28 -2(2) . .
S3 C26 C27 C28 175.2(11) . .
C26 C27 C28 C29 1(2) . .
C27 C28 C29 C30 1(2) . .
C28 C29 C30 C31 0(2) . .
C27 C26 C31 C30 2.2(19) . .
S3 C26 C31 C30 -175.4(10) . .
C29 C30 C31 C26 -1(2) . .
N3 C24 C32 C46 -1.7(15) . .
C25 C24 C32 C46 -179.0(14) . .
N3 C24 C32 C33 179.0(15) . .
C25 C24 C32 C33 2(3) . .
C46 C32 C33 C34 -73(2) . .
C24 C32 C33 C34 106(2) . .
C46 C32 C33 C38 107.2(19) . .
C24 C32 C33 C38 -74(2) . .
C38 C33 C34 C35 -2(3) . .
C32 C33 C34 C35 178.2(16) . .
C33 C34 C35 C36 4(3) . .
C34 C35 C36 C37 -7(3) . .
C35 C36 C37 C38 9(3) . .
C34 C33 C38 C37 3(2) . .
C32 C33 C38 C37 -176.8(14) . .
C36 C37 C38 C33 -7(2) . .
C40 S4 C39 C46 76.5(11) . .
C39 S4 C40 C45 -122.0(14) . .
C39 S4 C40 C41 60.7(16) . .
C45 C40 C41 C42 -3(3) . .
S4 C40 C41 C42 174.7(15) . .
C40 C41 C42 C43 4(3) . .
C41 C42 C43 C44 -5(3) . .
C42 C43 C44 C45 6(3) . .
C43 C44 C45 C40 -4(3) . .
C41 C40 C45 C44 3(3) . .
S4 C40 C45 C44 -174.4(15) . .
N3 N4 C46 C32 -0.5(15) . .
Au3 N4 C46 C32 177.2(9) . .
N3 N4 C46 C39 176.8(12) . .
Au3 N4 C46 C39 -5.4(19) . .
C24 C32 C46 N4 1.4(16) . .
C33 C32 C46 N4 -179.3(15) . .
C24 C32 C46 C39 -175.8(14) . .
C33 C32 C46 C39 4(3) . .
S4 C39 C46 N4 84.9(14) . .
S4 C39 C46 C32 -98.3(15) . .
N6 N5 C47 C55 2.7(13) . .
Au3 N5 C47 C55 170.7(8) . .
N6 N5 C47 C48 -178.2(10) . .
Au3 N5 C47 C48 -10.1(17) . .
N5 C47 C48 S5 79.2(12) . .
C55 C47 C48 S5 -101.9(13) . .
C49 S5 C48 C47 -167.4(8) . .
C48 S5 C49 C54 -23.7(13) . .
C48 S5 C49 C50 157.8(11) . .
C54 C49 C50 C51 1(2) . .
S5 C49 C50 C51 179.3(12) . .
C49 C50 C51 C52 -3(2) . .
C50 C51 C52 C53 5(3) . .
C51 C52 C53 C54 -6(3) . .
C50 C49 C54 C53 -1(2) . .
S5 C49 C54 C53 -179.7(11) . .
C52 C53 C54 C49 4(2) . .
N5 C47 C55 C62 -2.2(13) . .
C48 C47 C55 C62 178.8(12) . .
N5 C47 C55 C56 -177.3(11) . .
C48 C47 C55 C56 4(2) . .
C62 C55 C56 C57 -136.4(14) . .
C47 C55 C56 C57 37(2) . .
C62 C55 C56 C61 40(2) . .
C47 C55 C56 C61 -145.7(13) . .
C61 C56 C57 C58 2(2) . .
C55 C56 C57 C58 178.8(14) . .
C56 C57 C58 C59 -1(2) . .
C57 C58 C59 C60 2(3) . .
C58 C59 C60 C61 -4(3) . .
C59 C60 C61 C56 5(2) . .
C57 C56 C61 C60 -4(2) . .
C55 C56 C61 C60 179.4(14) . .
N5 N6 C62 C55 0.6(14) . .
Au1 N6 C62 C55 -175.7(8) . .
N5 N6 C62 C63 172.9(11) . .
Au1 N6 C62 C63 -3.5(18) . .
C47 C55 C62 N6 0.9(13) . .
C56 C55 C62 N6 175.9(12) . .
C47 C55 C62 C63 -170.2(13) . .
C56 C55 C62 C63 5(2) . .
N6 C62 C63 S6 -99.9(12) . .
C55 C62 C63 S6 70.5(16) . .
C64 S6 C63 C62 37.4(11) . .
C63 S6 C64 C69 77.7(14) . .
C63 S6 C64 C65 -102.2(13) . .
C69 C64 C65 C66 -1(2) . .
S6 C64 C65 C66 179.3(13) . .
C64 C65 C66 C67 0(3) . .
C65 C66 C67 C68 -1(3) . .
C66 C67 C68 C69 2(2) . .
C65 C64 C69 C68 2(2) . .
S6 C64 C69 C68 -178.1(12) . .
C67 C68 C69 C64 -2(2) . .
C4_1 O1_1 C1_1 C2_1 21(2) . .
O1_1 C1_1 C2_1 C3_1 -20(2) . .
C1_1 C2_1 C3_1 C4_1 11(3) . .
C2_1 C3_1 C4_1 O1_1 2(3) . .
C1_1 O1_1 C4_1 C3_1 -13(3) . .
