#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:26:17 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179377 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/74/4327449.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_4327449
loop_
_publ_author_name
'Guang Yang'
'Raphael G. Raptis'
_publ_section_title
;
 Supramolecular Assembly of Trimeric Gold(I) Pyrazolates through
 Aurophilic Attractions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              261
_journal_page_last               263
_journal_paper_doi               10.1021/ic026051+
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C188 H250 Au45 Cl2 N90 O3'
_chemical_formula_weight         12753.17
_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                115.722(3)
_cell_angle_beta                 93.680(3)
_cell_angle_gamma                95.332(3)
_cell_formula_units_Z            2
_cell_length_a                   14.913(2)
_cell_length_b                   30.853(5)
_cell_length_c                   31.336(5)
_cell_measurement_temperature    298(2)
_cell_volume                     12845(3)
_computing_cell_refinement       'BRUKER SMART-NT V5.0'
_computing_data_collection       'BRUKER SMART-NT V5.0'
_computing_data_reduction        'BRUKER SAINT-NT V5/6.0'
_computing_molecular_graphics    'BRUKER SHELXTL-NT V5.1'
_computing_publication_material  'BRUKER SHELXTL-NT V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.928
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'Bruker AXS SMART CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0512
_diffrn_reflns_av_sigmaI/netI    0.0867
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            65628
_diffrn_reflns_theta_full        23.30
_diffrn_reflns_theta_max         23.30
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    25.659
_exptl_absorpt_correction_type   semi-empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.297
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             11242
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.764
_refine_diff_density_min         -3.790
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1996
_refine_ls_number_reflns         34430
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1021
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.091
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0671P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1300
_refine_ls_wR_factor_ref         0.1444
_reflns_number_gt                21205
_reflns_number_total             34430
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0260512B_s1_2.cif
_cod_data_source_block           '[Au(mu-4-Me-pz)]3'
_cod_original_cell_volume        12846(4)
_cod_database_code               4327449
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 0.71980(7) 0.52708(4) 0.22520(4) 0.0669(3) Uani 1 1 d .
Au2 Au 0.65324(8) 0.62153(4) 0.31405(5) 0.0777(4) Uani 1 1 d .
Au3 Au 0.87327(8) 0.60314(4) 0.31946(4) 0.0613(3) Uani 1 1 d .
N1 N 0.5932(13) 0.5385(8) 0.2202(8) 0.055(6) Uani 1 1 d .
N2 N 0.5704(14) 0.5789(9) 0.2571(9) 0.074(7) Uani 1 1 d .
N3 N 0.7396(15) 0.6644(7) 0.3701(7) 0.066(7) Uani 1 1 d .
N4 N 0.8310(15) 0.6567(7) 0.3747(7) 0.054(6) Uani 1 1 d .
N5 N 0.9078(15) 0.5475(7) 0.2644(8) 0.060(6) Uani 1 1 d .
N6 N 0.8479(15) 0.5170(9) 0.2282(8) 0.064(7) Uani 1 1 d .
C1 C 0.522(2) 0.5187(11) 0.1886(12) 0.082(10) Uiso 1 1 d .
H1 H 0.5208 0.4914 0.1597 0.099 Uiso 1 1 calc R
C2 C 0.445(2) 0.5434(11) 0.2031(12) 0.085(10) Uiso 1 1 d .
C3 C 0.480(2) 0.5792(11) 0.2473(11) 0.080(9) Uiso 1 1 d .
H3 H 0.4455 0.6011 0.2681 0.096 Uiso 1 1 calc R
C4 C 0.3484(18) 0.5292(10) 0.1809(10) 0.076(9) Uiso 1 1 d .
H4A H 0.3178 0.5575 0.1916 0.115 Uiso 1 1 calc R
H4B H 0.3189 0.5061 0.1901 0.115 Uiso 1 1 calc R
H4C H 0.3464 0.5150 0.1468 0.115 Uiso 1 1 calc R
C5 C 0.723(2) 0.6979(10) 0.4113(11) 0.078(9) Uiso 1 1 d .
H5 H 0.6665 0.7077 0.4199 0.094 Uiso 1 1 calc R
C6 C 0.806(2) 0.7158(11) 0.4397(12) 0.086(10) Uiso 1 1 d .
C7 C 0.8722(18) 0.6902(9) 0.4160(9) 0.052(7) Uiso 1 1 d .
H7 H 0.9336 0.6953 0.4269 0.062 Uiso 1 1 calc R
C8 C 0.822(2) 0.7573(13) 0.4934(13) 0.130(14) Uiso 1 1 d .
H8A H 0.8477 0.7448 0.5139 0.195 Uiso 1 1 calc R
H8B H 0.7651 0.7680 0.5032 0.195 Uiso 1 1 calc R
H8C H 0.8628 0.7843 0.4953 0.195 Uiso 1 1 calc R
C9 C 0.9963(18) 0.5366(9) 0.2539(10) 0.058(7) Uiso 1 1 d .
H9 H 1.0511 0.5541 0.2714 0.070 Uiso 1 1 calc R
C10 C 0.983(2) 0.4932(10) 0.2109(11) 0.073(8) Uiso 1 1 d .
C11 C 0.8927(19) 0.4859(10) 0.1962(11) 0.070(8) Uiso 1 1 d .
H11 H 0.8655 0.4617 0.1669 0.084 Uiso 1 1 calc R
C12 C 1.064(2) 0.4669(11) 0.1838(12) 0.100(11) Uiso 1 1 d .
H12A H 1.1134 0.4703 0.2068 0.150 Uiso 1 1 calc R
H12B H 1.0844 0.4815 0.1640 0.150 Uiso 1 1 calc R
H12C H 1.0432 0.4330 0.1644 0.150 Uiso 1 1 calc R
Au4 Au 0.09149(7) 0.62205(4) 0.38310(4) 0.0529(3) Uani 1 1 d .
Au5 Au 0.25029(7) 0.71062(4) 0.46440(4) 0.0530(3) Uani 1 1 d .
Au6 Au 0.22160(6) 0.60260(3) 0.46432(4) 0.0504(3) Uani 1 1 d .
N7 N 0.1153(15) 0.6867(8) 0.3823(9) 0.068(7) Uani 1 1 d .
N8 N 0.1790(16) 0.7202(7) 0.4114(8) 0.062(7) Uani 1 1 d .
N9 N 0.3141(13) 0.7020(7) 0.5190(8) 0.053(6) Uani 1 1 d .
N10 N 0.3019(12) 0.6565(8) 0.5170(8) 0.056(6) Uani 1 1 d .
N11 N 0.1373(12) 0.5483(6) 0.4150(7) 0.046(6) Uani 1 1 d .
N12 N 0.0766(14) 0.5574(6) 0.3863(8) 0.054(6) Uani 1 1 d .
C13 C 0.1123(17) 0.5017(9) 0.4083(10) 0.065(8) Uiso 1 1 d .
H13 H 0.1414 0.4867 0.4243 0.078 Uiso 1 1 calc R
C14 C 0.0348(15) 0.4793(8) 0.3730(8) 0.043(6) Uiso 1 1 d .
C15 C 0.0172(18) 0.5157(9) 0.3618(10) 0.064(8) Uiso 1 1 d .
H15 H -0.0306 0.5127 0.3397 0.077 Uiso 1 1 calc R
C16 C -0.0145(16) 0.4320(8) 0.3579(9) 0.057(7) Uiso 1 1 d .
H16A H -0.0780 0.4331 0.3521 0.086 Uiso 1 1 calc R
H16B H -0.0048 0.4215 0.3824 0.086 Uiso 1 1 calc R
H16C H 0.0062 0.4095 0.3291 0.086 Uiso 1 1 calc R
C17 C 0.0744(18) 0.7077(10) 0.3554(11) 0.067(8) Uiso 1 1 d .
H17 H 0.0250 0.6928 0.3320 0.081 Uiso 1 1 calc R
C18 C 0.1183(18) 0.7533(10) 0.3688(10) 0.066(8) Uiso 1 1 d .
C19 C 0.1835(19) 0.7589(10) 0.4025(11) 0.069(9) Uiso 1 1 d .
H19 H 0.2267 0.7862 0.4178 0.083 Uiso 1 1 calc R
C20 C 0.094(2) 0.7856(11) 0.3471(11) 0.091(10) Uiso 1 1 d .
H20A H 0.1343 0.8156 0.3618 0.137 Uiso 1 1 calc R
H20B H 0.0327 0.7921 0.3519 0.137 Uiso 1 1 calc R
H20C H 0.0992 0.7700 0.3135 0.137 Uiso 1 1 calc R
C21 C 0.3539(17) 0.7343(10) 0.5638(10) 0.064(8) Uiso 1 1 d .
H21 H 0.3637 0.7678 0.5750 0.076 Uiso 1 1 calc R
C22 C 0.3769(17) 0.7100(9) 0.5892(10) 0.053(7) Uiso 1 1 d .
C23 C 0.3410(17) 0.6621(9) 0.5601(10) 0.060(8) Uiso 1 1 d .
H23 H 0.3433 0.6370 0.5688 0.073 Uiso 1 1 calc R
C24 C 0.4215(19) 0.7298(10) 0.6391(10) 0.085(10) Uiso 1 1 d .
H24A H 0.4129 0.7632 0.6563 0.127 Uiso 1 1 calc R
H24B H 0.4851 0.7273 0.6387 0.127 Uiso 1 1 calc R
H24C H 0.3951 0.7115 0.6544 0.127 Uiso 1 1 calc R
Au7 Au 0.16445(7) 0.74036(4) 0.61883(4) 0.0541(3) Uani 1 1 d .
Au8 Au 0.08188(7) 0.74722(4) 0.52101(4) 0.0521(3) Uani 1 1 d .
Au9 Au 0.22519(7) 0.84271(4) 0.60735(4) 0.0546(3) Uani 1 1 d .
N13 N 0.0903(15) 0.6822(7) 0.5649(7) 0.056(6) Uani 1 1 d .
N14 N 0.0570(13) 0.6863(6) 0.5260(7) 0.048(6) Uani 1 1 d .
N15 N 0.1070(15) 0.8093(8) 0.5169(8) 0.068(6) Uani 1 1 d .
N16 N 0.1714(14) 0.8461(8) 0.5491(8) 0.054(6) Uani 1 1 d .
N17 N 0.2739(13) 0.8368(8) 0.6650(7) 0.055(6) Uani 1 1 d .
N18 N 0.2392(13) 0.7983(7) 0.6720(7) 0.059(6) Uani 1 1 d .
C25 C 0.0627(15) 0.6389(8) 0.5623(9) 0.049(7) Uiso 1 1 d .
H25 H 0.0763 0.6294 0.5861 0.059 Uiso 1 1 calc R
C26 C 0.0121(18) 0.6108(9) 0.5203(10) 0.061(8) Uiso 1 1 d .
C27 C 0.0091(17) 0.6443(9) 0.4988(10) 0.064(8) Uiso 1 1 d .
H27 H -0.0229 0.6367 0.4694 0.076 Uiso 1 1 calc R
C28 C -0.0285(17) 0.5568(8) 0.4998(9) 0.065(7) Uiso 1 1 d .
H28A H -0.0312 0.5475 0.5253 0.097 Uiso 1 1 calc R
H28B H 0.0090 0.5372 0.4773 0.097 Uiso 1 1 calc R
H28C H -0.0885 0.5523 0.4842 0.097 Uiso 1 1 calc R
C29 C 0.0690(19) 0.8254(10) 0.4879(11) 0.069(8) Uiso 1 1 d .
H29 H 0.0220 0.8080 0.4637 0.083 Uiso 1 1 calc R
C30 C 0.1106(19) 0.8727(10) 0.4994(11) 0.068(8) Uiso 1 1 d .
C31 C 0.176(2) 0.8831(11) 0.5386(11) 0.081(9) Uiso 1 1 d .
H31 H 0.2157 0.9117 0.5546 0.098 Uiso 1 1 calc R
C32 C 0.092(2) 0.9014(12) 0.4695(12) 0.118(12) Uiso 1 1 d .
H32A H 0.0399 0.9180 0.4795 0.177 Uiso 1 1 calc R
H32B H 0.0799 0.8791 0.4363 0.177 Uiso 1 1 calc R
H32C H 0.1436 0.9246 0.4745 0.177 Uiso 1 1 calc R
C33 C 0.3234(18) 0.8664(10) 0.7057(10) 0.065(8) Uiso 1 1 d .
H33 H 0.3557 0.8959 0.7109 0.078 Uiso 1 1 calc R
C34 C 0.3227(16) 0.8499(9) 0.7384(10) 0.057(7) Uiso 1 1 d .
C35 C 0.2729(15) 0.8025(8) 0.7155(9) 0.047(7) Uiso 1 1 d .
H35 H 0.2651 0.7796 0.7273 0.056 Uiso 1 1 calc R
C36 C 0.3682(19) 0.8707(10) 0.7889(10) 0.087(9) Uiso 1 1 d .
H36A H 0.4197 0.8939 0.7930 0.130 Uiso 1 1 calc R
H36B H 0.3878 0.8450 0.7951 0.130 Uiso 1 1 calc R
H36C H 0.3261 0.8865 0.8107 0.130 Uiso 1 1 calc R
Au10 Au 0.36519(8) 0.96500(4) 0.52995(4) 0.0639(3) Uani 1 1 d .
Au11 Au 0.58581(8) 0.96159(4) 0.51819(4) 0.0613(3) Uani 1 1 d .
Au12 Au 0.51965(8) 1.04320(4) 0.61933(4) 0.0610(3) Uani 1 1 d .
N19 N 0.405(2) 0.9136(8) 0.4733(9) 0.080(8) Uani 1 1 d .
N20 N 0.4947(17) 0.9127(8) 0.4660(9) 0.069(7) Uani 1 1 d .
N21 N 0.6739(15) 1.0098(7) 0.5706(8) 0.060(7) Uani 1 1 d .
N22 N 0.6505(15) 1.0405(7) 0.6115(9) 0.061(7) Uani 1 1 d .
N23 N 0.3830(14) 1.0486(9) 0.6230(8) 0.067(7) Uani 1 1 d .
N24 N 0.3227(15) 1.0182(7) 0.5858(8) 0.058(6) Uani 1 1 d .
C37 C 0.3564(18) 0.8751(9) 0.4328(10) 0.056(7) Uiso 1 1 d .
H37 H 0.2937 0.8671 0.4279 0.067 Uiso 1 1 calc R
C38 C 0.4118(19) 0.8528(10) 0.4037(10) 0.064(8) Uiso 1 1 d .
C39 C 0.498(2) 0.8759(10) 0.4218(11) 0.073(9) Uiso 1 1 d .
H39 H 0.5497 0.8679 0.4067 0.087 Uiso 1 1 calc R
C40 C 0.391(2) 0.8102(12) 0.3537(12) 0.114(12) Uiso 1 1 d .
H40A H 0.3519 0.7844 0.3550 0.171 Uiso 1 1 calc R
H40B H 0.4466 0.7988 0.3423 0.171 Uiso 1 1 calc R
H40C H 0.3617 0.8209 0.3325 0.171 Uiso 1 1 calc R
C41 C 0.768(2) 1.0178(11) 0.5725(12) 0.090(10) Uiso 1 1 d .
H41 H 0.8025 1.0015 0.5480 0.108 Uiso 1 1 calc R
C42 C 0.8005(19) 1.0535(10) 0.6162(11) 0.066(8) Uiso 1 1 d .
C43 C 0.7243(19) 1.0681(11) 0.6397(11) 0.074(9) Uiso 1 1 d .
H43 H 0.7251 1.0930 0.6702 0.088 Uiso 1 1 calc R
C44 C 0.9019(19) 1.0786(10) 0.6390(11) 0.087(10) Uiso 1 1 d .
H44A H 0.9419 1.0543 0.6305 0.130 Uiso 1 1 calc R
H44B H 0.9041 1.0952 0.6731 0.130 Uiso 1 1 calc R
H44C H 0.9204 1.1016 0.6271 0.130 Uiso 1 1 calc R
C45 C 0.342(2) 1.0841(12) 0.6556(13) 0.087(10) Uiso 1 1 d .
H45 H 0.3683 1.1085 0.6849 0.105 Uiso 1 1 calc R
C46 C 0.250(2) 1.0764(12) 0.6359(13) 0.092(10) Uiso 1 1 d .
C47 C 0.242(2) 1.0340(10) 0.5945(11) 0.074(9) Uiso 1 1 d .
H47 H 0.1883 1.0184 0.5751 0.088 Uiso 1 1 calc R
C48 C 0.181(2) 1.1068(12) 0.6590(12) 0.106(12) Uiso 1 1 d .
H48A H 0.2089 1.1396 0.6782 0.160 Uiso 1 1 calc R
H48B H 0.1519 1.0946 0.6788 0.160 Uiso 1 1 calc R
H48C H 0.1364 1.1060 0.6350 0.160 Uiso 1 1 calc R
Au13 Au 0.62665(7) 0.93038(4) 0.61979(4) 0.0550(3) Uani 1 1 d .
Au14 Au 0.53766(7) 1.01305(4) 0.71006(4) 0.0529(3) Uani 1 1 d .
Au15 Au 0.39879(7) 0.92248(4) 0.61833(4) 0.0557(3) Uani 1 1 d .
N25 N 0.7046(12) 0.9831(7) 0.6767(8) 0.052(6) Uani 1 1 d .
N26 N 0.6752(13) 1.0179(7) 0.7129(7) 0.048(6) Uani 1 1 d .
N27 N 0.4047(12) 1.0088(7) 0.7112(8) 0.049(6) Uani 1 1 d .
N28 N 0.3460(15) 0.9736(8) 0.6749(8) 0.060(6) Uani 1 1 d .
N29 N 0.4570(14) 0.8725(6) 0.5658(7) 0.050(6) Uani 1 1 d .
N30 N 0.5443(14) 0.8778(7) 0.5645(8) 0.055(6) Uani 1 1 d .
C49 C 0.7965(18) 0.9926(9) 0.6868(10) 0.064(8) Uiso 1 1 d .
H49 H 0.8365 0.9728 0.6685 0.077 Uiso 1 1 calc R
C50 C 0.8219(19) 1.0340(10) 0.7265(10) 0.066(8) Uiso 1 1 d .
C51 C 0.7406(17) 1.0478(9) 0.7453(10) 0.055(7) Uiso 1 1 d .
H51 H 0.7343 1.0730 0.7747 0.066 Uiso 1 1 calc R
C52 C 0.9154(18) 1.0583(10) 0.7496(10) 0.077(9) Uiso 1 1 d .
H52A H 0.9568 1.0346 0.7406 0.115 Uiso 1 1 calc R
H52B H 0.9158 1.0732 0.7837 0.115 Uiso 1 1 calc R
H52C H 0.9337 1.0827 0.7395 0.115 Uiso 1 1 calc R
C53 C 0.3551(17) 1.0373(9) 0.7388(10) 0.058(7) Uiso 1 1 d .
H53 H 0.3761 1.0651 0.7668 0.069 Uiso 1 1 calc R
C54 C 0.257(2) 1.0191(11) 0.7196(11) 0.077(9) Uiso 1 1 d .
C55 C 0.2607(19) 0.9791(10) 0.6812(10) 0.065(8) Uiso 1 1 d .
H55 H 0.2107 0.9579 0.6615 0.078 Uiso 1 1 calc R
C56 C 0.182(2) 1.0466(12) 0.7492(12) 0.107(12) Uiso 1 1 d .
H56A H 0.1231 1.0296 0.7333 0.161 Uiso 1 1 calc R
H56B H 0.1871 1.0790 0.7520 0.161 Uiso 1 1 calc R
H56C H 0.1890 1.0479 0.7804 0.161 Uiso 1 1 calc R
C57 C 0.4183(18) 0.8325(9) 0.5229(9) 0.059(7) Uiso 1 1 d .
H57 H 0.3563 0.8227 0.5141 0.071 Uiso 1 1 calc R
C58 C 0.4839(16) 0.8100(9) 0.4957(9) 0.051(7) Uiso 1 1 d .
C59 C 0.5611(18) 0.8405(9) 0.5246(9) 0.056(7) Uiso 1 1 d .
H59 H 0.6196 0.8353 0.5167 0.067 Uiso 1 1 calc R
C60 C 0.4769(19) 0.7700(10) 0.4509(10) 0.079(9) Uiso 1 1 d .
H60A H 0.4858 0.7415 0.4549 0.119 Uiso 1 1 calc R
H60B H 0.5223 0.7756 0.4328 0.119 Uiso 1 1 calc R
H60C H 0.4178 0.7654 0.4342 0.119 Uiso 1 1 calc R
Au16 Au 0.54766(6) 0.95251(3) 0.77098(4) 0.0463(3) Uani 1 1 d .
Au17 Au 0.77072(6) 0.95254(3) 0.78238(4) 0.0481(3) Uani 1 1 d .
Au18 Au 0.68004(6) 1.05007(3) 0.85814(4) 0.0434(3) Uani 1 1 d .
N31 N 0.6039(12) 0.9009(6) 0.7229(7) 0.036(5) Uani 1 1 d .
N32 N 0.6918(14) 0.8976(6) 0.7262(7) 0.048(6) Uani 1 1 d .
N33 N 0.8475(12) 1.0100(6) 0.8346(7) 0.043(5) Uani 1 1 d .
N34 N 0.8151(11) 1.0523(6) 0.8591(7) 0.038(5) Uani 1 1 d .
N35 N 0.5454(11) 1.0457(6) 0.8534(6) 0.033(5) Uani 1 1 d .
N36 N 0.4913(11) 1.0056(7) 0.8203(7) 0.046(5) Uani 1 1 d .
C61 C 0.9375(18) 1.0205(9) 0.8391(9) 0.059(7) Uiso 1 1 d .
H61 H 0.9772 0.9992 0.8227 0.071 Uiso 1 1 calc R
C62 C 0.9630(17) 1.0700(9) 0.8731(9) 0.056(7) Uiso 1 1 d .
C63 C 0.8853(14) 1.0884(8) 0.8849(8) 0.035(6) Uiso 1 1 d .
H63 H 0.8800 1.1200 0.9067 0.042 Uiso 1 1 calc R
C64 C 1.0621(18) 1.0962(10) 0.8938(11) 0.082(9) Uiso 1 1 d .
H64A H 1.0627 1.1306 0.9058 0.123 Uiso 1 1 calc R
H64B H 1.1011 1.0851 0.8690 0.123 Uiso 1 1 calc R
H64C H 1.0834 1.0888 0.9191 0.123 Uiso 1 1 calc R
C65 C 0.4879(15) 1.0776(8) 0.8806(9) 0.046(6) Uiso 1 1 d .
H65 H 0.5066 1.1075 0.9066 0.056 Uiso 1 1 calc R
C66 C 0.4049(17) 1.0590(8) 0.8637(9) 0.051(7) Uiso 1 1 d .
C67 C 0.4072(18) 1.0122(9) 0.8262(10) 0.061(8) Uiso 1 1 d .
H67 H 0.3567 0.9899 0.8087 0.073 Uiso 1 1 calc R
C68 C 0.319(2) 1.0810(11) 0.8813(12) 0.102(11) Uiso 1 1 d .
H68A H 0.3174 1.0873 0.9140 0.153 Uiso 1 1 calc R
H68B H 0.2667 1.0588 0.8622 0.153 Uiso 1 1 calc R
H68C H 0.3190 1.1109 0.8787 0.153 Uiso 1 1 calc R
C69 C 0.7162(16) 0.8622(8) 0.6881(9) 0.044(6) Uiso 1 1 d .
H69 H 0.7750 0.8550 0.6836 0.053 Uiso 1 1 calc R
C70 C 0.6428(17) 0.8387(8) 0.6573(9) 0.051(7) Uiso 1 1 d .
C71 C 0.5684(19) 0.8621(9) 0.6783(10) 0.066(8) Uiso 1 1 d .
H71 H 0.5079 0.8536 0.6653 0.080 Uiso 1 1 calc R
C72 C 0.6352(19) 0.7944(10) 0.6079(10) 0.077(9) Uiso 1 1 d .
H72A H 0.6571 0.8047 0.5852 0.115 Uiso 1 1 calc R
H72B H 0.5729 0.7801 0.5979 0.115 Uiso 1 1 calc R
H72C H 0.6708 0.7708 0.6100 0.115 Uiso 1 1 calc R
Au19 Au 0.61182(7) 0.90194(4) 0.84580(4) 0.0511(3) Uani 1 1 d .
Au20 Au 0.75748(7) 0.99173(4) 0.93010(4) 0.0520(3) Uani 1 1 d .
Au21 Au 0.83608(7) 0.89564(4) 0.84781(4) 0.0557(3) Uani 1 1 d .
N37 N 0.5655(13) 0.9564(7) 0.8955(8) 0.055(6) Uani 1 1 d .
H37A H 0.5661 0.9726 0.8772 0.066 Uiso 1 1 calc R
N38 N 0.6251(12) 0.9954(7) 0.9327(7) 0.050(6) Uani 1 1 d .
N39 N 0.8883(17) 0.9911(8) 0.9312(9) 0.072(8) Uani 1 1 d .
N40 N 0.9203(14) 0.9512(10) 0.8991(9) 0.075(8) Uani 1 1 d .
N41 N 0.7477(14) 0.8408(6) 0.7988(7) 0.053(6) Uani 1 1 d .
N42 N 0.6573(14) 0.8441(7) 0.7969(7) 0.052(6) Uani 1 1 d .
C73 C 0.4821(18) 0.9686(9) 0.9078(10) 0.060(7) Uiso 1 1 d .
H73 H 0.4285 0.9491 0.8906 0.072 Uiso 1 1 calc R
C74 C 0.4835(16) 1.0119(9) 0.9474(9) 0.053(7) Uiso 1 1 d .
C75 C 0.5769(15) 1.0271(8) 0.9628(9) 0.047(6) Uiso 1 1 d .
H75 H 0.6012 1.0551 0.9899 0.057 Uiso 1 1 calc R
C76 C 0.4074(17) 1.0388(9) 0.9706(10) 0.066(8) Uiso 1 1 d .
H76A H 0.4111 1.0690 0.9684 0.099 Uiso 1 1 calc R
H76B H 0.4123 1.0451 1.0035 0.099 Uiso 1 1 calc R
H76C H 0.3504 1.0195 0.9546 0.099 Uiso 1 1 calc R
C77 C 0.9598(18) 1.0240(11) 0.9582(11) 0.070(8) Uiso 1 1 d .
H77 H 0.9568 1.0545 0.9828 0.084 Uiso 1 1 calc R
C78 C 1.0422(18) 1.0035(9) 0.9423(10) 0.062(8) Uiso 1 1 d .
C79 C 1.012(2) 0.9598(11) 0.9074(11) 0.082(9) Uiso 1 1 d .
H79 H 1.0492 0.9374 0.8905 0.098 Uiso 1 1 calc R
C80 C 1.1354(19) 1.0286(10) 0.9623(11) 0.087(10) Uiso 1 1 d .
H80A H 1.1613 1.0156 0.9824 0.131 Uiso 1 1 calc R
H80B H 1.1336 1.0627 0.9808 0.131 Uiso 1 1 calc R
H80C H 1.1717 1.0237 0.9368 0.131 Uiso 1 1 calc R
C81 C 0.7584(18) 0.7992(9) 0.7619(10) 0.062(8) Uiso 1 1 d .
H81 H 0.8141 0.7877 0.7565 0.074 Uiso 1 1 calc R
C82 C 0.6804(17) 0.7753(9) 0.7330(9) 0.053(7) Uiso 1 1 d .
C83 C 0.6168(17) 0.8061(9) 0.7594(9) 0.053(7) Uiso 1 1 d .
H83 H 0.5545 0.7997 0.7508 0.064 Uiso 1 1 calc R
C84 C 0.6557(18) 0.7310(9) 0.6919(10) 0.074(9) Uiso 1 1 d .
H84A H 0.7065 0.7229 0.6739 0.111 Uiso 1 1 calc R
H84B H 0.6061 0.7340 0.6727 0.111 Uiso 1 1 calc R
H84C H 0.6376 0.7059 0.7012 0.111 Uiso 1 1 calc R
Au22 Au 0.50713(7) 1.21684(4) 0.96191(4) 0.0530(3) Uani 1 1 d .
Au23 Au 0.59610(7) 1.31757(3) 1.06120(4) 0.0506(3) Uani 1 1 d .
Au24 Au 0.52687(7) 1.32504(4) 0.96062(4) 0.0572(3) Uani 1 1 d .
N43 N 0.5516(13) 1.2121(8) 1.0222(7) 0.049(6) Uani 1 1 d .
N44 N 0.5792(13) 1.2536(7) 1.0632(8) 0.054(6) Uani 1 1 d .
N45 N 0.6145(13) 1.3812(6) 1.0574(8) 0.049(6) Uani 1 1 d .
N46 N 0.5919(13) 1.3827(7) 1.0168(7) 0.045(5) Uani 1 1 d .
N47 N 0.4581(15) 1.2680(8) 0.9059(8) 0.067(7) Uani 1 1 d .
N48 N 0.4541(13) 1.2218(7) 0.9060(7) 0.048(5) Uani 1 1 d .
C85 C 0.4104(17) 1.2613(9) 0.8635(10) 0.059(7) Uiso 1 1 d .
H85 H 0.4029 1.2868 0.8558 0.070 Uiso 1 1 calc R
C86 C 0.378(2) 1.2182(11) 0.8363(12) 0.081(9) Uiso 1 1 d .
C87 C 0.4052(17) 1.1917(9) 0.8643(10) 0.058(7) Uiso 1 1 d .
H87 H 0.3899 1.1585 0.8542 0.070 Uiso 1 1 calc R
C88 C 0.326(2) 1.1939(12) 0.7876(12) 0.106(12) Uiso 1 1 d .
H88A H 0.2760 1.2110 0.7868 0.158 Uiso 1 1 calc R
H88B H 0.3041 1.1610 0.7804 0.158 Uiso 1 1 calc R
H88C H 0.3652 1.1942 0.7645 0.158 Uiso 1 1 calc R
C89 C 0.5488(15) 1.1737(9) 1.0324(9) 0.050(7) Uiso 1 1 d .
H89 H 0.5315 1.1414 1.0106 0.060 Uiso 1 1 calc R
C90 C 0.5745(17) 1.1892(9) 1.0780(10) 0.061(8) Uiso 1 1 d .
C91 C 0.5934(16) 1.2381(9) 1.0970(10) 0.056(7) Uiso 1 1 d .
H91 H 0.6135 1.2583 1.1289 0.067 Uiso 1 1 calc R
C92 C 0.5886(18) 1.1602(9) 1.1068(10) 0.070(8) Uiso 1 1 d .
H92A H 0.5952 1.1274 1.0854 0.105 Uiso 1 1 calc R
H92B H 0.5370 1.1603 1.1236 0.105 Uiso 1 1 calc R
H92C H 0.6422 1.1749 1.1291 0.105 Uiso 1 1 calc R
C93 C 0.6521(17) 1.4252(9) 1.0917(10) 0.062(8) Uiso 1 1 d .
H93 H 0.6722 1.4322 1.1230 0.075 Uiso 1 1 calc R
C94 C 0.6556(17) 1.4590(9) 1.0719(10) 0.058(7) Uiso 1 1 d .
C95 C 0.6157(16) 1.4288(9) 1.0252(10) 0.059(7) Uiso 1 1 d .
H95 H 0.6066 1.4398 1.0021 0.071 Uiso 1 1 calc R
C96 C 0.6861(18) 1.5133(9) 1.0944(10) 0.073(9) Uiso 1 1 d .
H96A H 0.7000 1.5251 1.1283 0.109 Uiso 1 1 calc R
H96B H 0.6385 1.5293 1.0881 0.109 Uiso 1 1 calc R
H96C H 0.7392 1.5197 1.0812 0.109 Uiso 1 1 calc R
Au25 Au 0.70607(6) 1.16883(3) 0.92685(4) 0.0445(3) Uani 1 1 d .
Au26 Au 0.80440(7) 1.26732(3) 1.02583(4) 0.0501(3) Uani 1 1 d .
Au27 Au 0.72083(7) 1.28122(3) 0.93264(4) 0.0511(3) Uani 1 1 d .
N49 N 0.7553(12) 1.1623(6) 0.9821(8) 0.049(6) Uani 1 1 d .
N50 N 0.7834(14) 1.2041(7) 1.0258(7) 0.057(6) Uani 1 1 d .
N51 N 0.8216(14) 1.3323(7) 1.0261(8) 0.054(6) Uani 1 1 d .
N52 N 0.7912(13) 1.3383(7) 0.9894(7) 0.049(5) Uani 1 1 d .
N53 N 0.6569(12) 1.2249(6) 0.8744(7) 0.039(5) Uani 1 1 d .
N54 N 0.6548(12) 1.1777(6) 0.8717(6) 0.037(5) Uani 1 1 d .
C97 C 0.6180(14) 1.2203(8) 0.8337(9) 0.042(6) Uiso 1 1 d .
H97 H 0.6102 1.2467 0.8275 0.050 Uiso 1 1 calc R
C98 C 0.5899(16) 1.1731(8) 0.8012(9) 0.048(7) Uiso 1 1 d .
C99 C 0.6146(14) 1.1455(8) 0.8278(8) 0.042(6) Uiso 1 1 d .
H99 H 0.6043 1.1119 0.8163 0.050 Uiso 1 1 calc R
C100 C 0.5405(17) 1.1515(9) 0.7502(9) 0.063(8) Uiso 1 1 d .
H10A H 0.4813 1.1615 0.7512 0.094 Uiso 1 1 calc R
H10B H 0.5347 1.1167 0.7364 0.094 Uiso 1 1 calc R
H10C H 0.5746 1.1627 0.7311 0.094 Uiso 1 1 calc R
C101 C 0.7636(16) 1.1234(9) 0.9923(9) 0.053(7) Uiso 1 1 d .
H101 H 0.7503 1.0911 0.9697 0.064 Uiso 1 1 calc R
C102 C 0.7945(16) 1.1379(8) 1.0411(9) 0.050(7) Uiso 1 1 d .
C103 C 0.8084(17) 1.1846(9) 1.0575(10) 0.059(7) Uiso 1 1 d .
H103 H 0.8338 1.2045 1.0887 0.071 Uiso 1 1 calc R
C104 C 0.807(2) 1.1038(10) 1.0636(11) 0.087(10) Uiso 1 1 d .
H10D H 0.8697 1.1059 1.0735 0.130 Uiso 1 1 calc R
H10E H 0.7840 1.0712 1.0408 0.130 Uiso 1 1 calc R
H10F H 0.7735 1.1129 1.0908 0.130 Uiso 1 1 calc R
C105 C 0.8724(17) 1.3760(9) 1.0589(10) 0.062(8) Uiso 1 1 d .
H105 H 0.9020 1.3814 1.0881 0.074 Uiso 1 1 calc R
C106 C 0.8720(17) 1.4095(9) 1.0417(10) 0.057(7) Uiso 1 1 d .
C107 C 0.8186(18) 1.3851(10) 0.9976(10) 0.070(8) Uiso 1 1 d .
H107 H 0.8039 1.3985 0.9771 0.084 Uiso 1 1 calc R
C108 C 0.9110(17) 1.4638(9) 1.0658(10) 0.069(8) Uiso 1 1 d .
H10G H 0.8794 1.4808 1.0927 0.103 Uiso 1 1 calc R
H10H H 0.9038 1.4770 1.0433 0.103 Uiso 1 1 calc R
H10I H 0.9743 1.4673 1.0764 0.103 Uiso 1 1 calc R
Au28 Au 0.61276(8) 0.37328(4) 0.60760(4) 0.0699(3) Uani 1 1 d .
Au29 Au 0.75579(7) 0.46636(4) 0.69246(4) 0.0646(3) Uani 1 1 d .
Au30 Au 0.63523(7) 0.48335(4) 0.60884(4) 0.0654(3) Uani 1 1 d .
N55 N 0.6798(17) 0.3644(9) 0.6596(8) 0.084(8) Uani 1 1 d .
N56 N 0.7388(16) 0.4026(7) 0.6955(9) 0.073(7) Uani 1 1 d .
N57 N 0.7687(15) 0.5315(8) 0.6910(10) 0.085(9) Uani 1 1 d .
N58 N 0.7155(14) 0.5388(7) 0.6593(9) 0.069(8) Uani 1 1 d .
N59 N 0.5523(14) 0.4264(8) 0.5552(8) 0.065(6) Uiso 1 1 d .
N60 N 0.5465(17) 0.3836(9) 0.5540(9) 0.086(8) Uiso 1 1 d .
C109 C 0.674(2) 0.3268(14) 0.6730(14) 0.109(12) Uiso 1 1 d .
H109 H 0.6352 0.2978 0.6575 0.131 Uiso 1 1 calc R
C110 C 0.7371(19) 0.3395(10) 0.7139(10) 0.066(8) Uiso 1 1 d .
C111 C 0.7715(18) 0.3860(10) 0.7248(10) 0.061(8) Uiso 1 1 d .
H111 H 0.8146 0.4045 0.7508 0.074 Uiso 1 1 calc R
C112 C 0.764(2) 0.3060(11) 0.7361(12) 0.098(11) Uiso 1 1 d .
H11A H 0.8222 0.2962 0.7272 0.147 Uiso 1 1 calc R
H11B H 0.7196 0.2778 0.7248 0.147 Uiso 1 1 calc R
H11C H 0.7680 0.3232 0.7703 0.147 Uiso 1 1 calc R
C113 C 0.826(2) 0.5722(11) 0.7163(12) 0.087(10) Uiso 1 1 d .
H113 H 0.8709 0.5751 0.7398 0.104 Uiso 1 1 calc R
C114 C 0.8122(18) 0.6109(10) 0.7040(10) 0.063(8) Uiso 1 1 d .
C115 C 0.7474(18) 0.5849(10) 0.6670(10) 0.065(8) Uiso 1 1 d .
H115 H 0.7252 0.5980 0.6473 0.078 Uiso 1 1 calc R
C116 C 0.861(2) 0.6595(11) 0.7250(11) 0.093(10) Uiso 1 1 d .
H11D H 0.8763 0.6682 0.7002 0.140 Uiso 1 1 calc R
H11E H 0.9151 0.6608 0.7439 0.140 Uiso 1 1 calc R
H11F H 0.8232 0.6819 0.7448 0.140 Uiso 1 1 calc R
C117 C 0.5084(17) 0.4226(10) 0.5142(10) 0.064(8) Uiso 1 1 d .
H117 H 0.5042 0.4480 0.5060 0.077 Uiso 1 1 calc R
C118 C 0.4734(17) 0.3779(9) 0.4886(10) 0.060(7) Uiso 1 1 d .
C119 C 0.4930(19) 0.3538(11) 0.5140(11) 0.076(9) Uiso 1 1 d .
H119 H 0.4726 0.3214 0.5052 0.092 Uiso 1 1 calc R
C120 C 0.4164(19) 0.3550(10) 0.4392(10) 0.085(10) Uiso 1 1 d .
H12D H 0.3614 0.3694 0.4415 0.127 Uiso 1 1 calc R
H12E H 0.4019 0.3207 0.4286 0.127 Uiso 1 1 calc R
H12F H 0.4505 0.3607 0.4167 0.127 Uiso 1 1 calc R
Au31 Au 0.23161(7) 0.64153(4) 0.66779(4) 0.0577(3) Uani 1 1 d .
Au32 Au 0.36119(7) 0.71051(4) 0.77107(4) 0.0575(3) Uani 1 1 d .
Au33 Au 0.44361(7) 0.61867(4) 0.68585(4) 0.0640(3) Uani 1 1 d .
N61 N 0.1810(13) 0.6932(8) 0.7204(9) 0.061(6) Uani 1 1 d .
N62 N 0.2324(13) 0.7214(8) 0.7644(8) 0.058(6) Uani 1 1 d .
N63 N 0.4891(15) 0.7050(8) 0.7784(8) 0.063(6) Uani 1 1 d .
N64 N 0.5205(13) 0.6650(9) 0.7461(8) 0.073(8) Uani 1 1 d .
N65 N 0.3621(17) 0.5789(9) 0.6230(8) 0.077(8) Uani 1 1 d .
N66 N 0.2809(14) 0.5890(7) 0.6173(8) 0.052(6) Uani 1 1 d .
C121 C 0.0992(19) 0.7102(9) 0.7250(10) 0.065(8) Uiso 1 1 d .
H121 H 0.0505 0.6994 0.7012 0.078 Uiso 1 1 calc R
C122 C 0.1007(19) 0.7450(10) 0.7696(11) 0.069(8) Uiso 1 1 d .
C123 C 0.1813(18) 0.7521(9) 0.7922(10) 0.060(7) Uiso 1 1 d .
H123 H 0.2001 0.7755 0.8233 0.072 Uiso 1 1 calc R
C124 C 0.018(2) 0.7746(12) 0.7882(13) 0.120(13) Uiso 1 1 d .
H12G H 0.0154 0.7825 0.8213 0.180 Uiso 1 1 calc R
H12H H -0.0380 0.7551 0.7701 0.180 Uiso 1 1 calc R
H12I H 0.0254 0.8039 0.7845 0.180 Uiso 1 1 calc R
C125 C 0.5577(17) 0.7323(9) 0.8128(10) 0.057(7) Uiso 1 1 d .
H125 H 0.5533 0.7615 0.8389 0.068 Uiso 1 1 calc R
C126 C 0.635(2) 0.7103(10) 0.8031(11) 0.073(9) Uiso 1 1 d .
C127 C 0.604(2) 0.6655(11) 0.7595(11) 0.079(9) Uiso 1 1 d .
H127 H 0.6397 0.6413 0.7439 0.095 Uiso 1 1 calc R
C128 C 0.7296(19) 0.7252(11) 0.8290(11) 0.090(10) Uiso 1 1 d .
H12J H 0.7355 0.7583 0.8528 0.135 Uiso 1 1 calc R
H12K H 0.7727 0.7222 0.8067 0.135 Uiso 1 1 calc R
H12L H 0.7409 0.7046 0.8440 0.135 Uiso 1 1 calc R
C129 C 0.384(2) 0.5465(10) 0.5841(11) 0.068(8) Uiso 1 1 d .
H129 H 0.4412 0.5367 0.5796 0.082 Uiso 1 1 calc R
C130 C 0.309(2) 0.5284(10) 0.5497(11) 0.076(9) Uiso 1 1 d .
C131 C 0.2484(17) 0.5582(8) 0.5709(9) 0.049(7) Uiso 1 1 d .
H131 H 0.1921 0.5578 0.5561 0.059 Uiso 1 1 calc R
C132 C 0.3062(19) 0.4881(10) 0.4956(10) 0.080(9) Uiso 1 1 d .
H13A H 0.2594 0.4618 0.4892 0.120 Uiso 1 1 calc R
H13B H 0.3636 0.4760 0.4907 0.120 Uiso 1 1 calc R
H13C H 0.2938 0.5023 0.4743 0.120 Uiso 1 1 calc R
Au34 Au 0.44279(7) 0.52837(4) 0.71655(4) 0.0609(3) Uani 1 1 d .
Au35 Au 0.37378(6) 0.61642(4) 0.81407(4) 0.0512(3) Uani 1 1 d .
Au36 Au 0.22901(7) 0.55295(4) 0.71383(4) 0.0592(3) Uani 1 1 d .
N67 N 0.5309(12) 0.5705(8) 0.7749(9) 0.076(8) Uani 1 1 d .
N68 N 0.4970(15) 0.6024(8) 0.8132(8) 0.065(6) Uani 1 1 d .
N69 N 0.2438(12) 0.6300(7) 0.8125(7) 0.045(5) Uani 1 1 d .
N70 N 0.1888(12) 0.6057(7) 0.7710(7) 0.045(5) Uani 1 1 d .
N71 N 0.2712(14) 0.4996(7) 0.6588(7) 0.052(6) Uani 1 1 d .
N72 N 0.3517(14) 0.4850(7) 0.6562(9) 0.068(7) Uani 1 1 d .
C133 C 0.6198(17) 0.5657(9) 0.7832(10) 0.057(7) Uiso 1 1 d .
H133 H 0.6530 0.5436 0.7619 0.068 Uiso 1 1 calc R
C134 C 0.6501(18) 0.5993(10) 0.8283(10) 0.064(8) Uiso 1 1 d .
C135 C 0.5756(17) 0.6226(9) 0.8477(10) 0.060(8) Uiso 1 1 d .
H135 H 0.5771 0.6474 0.8784 0.072 Uiso 1 1 calc R
C136 C 0.7448(18) 0.6118(10) 0.8565(10) 0.075(9) Uiso 1 1 d .
H13D H 0.7509 0.6440 0.8821 0.112 Uiso 1 1 calc R
H13E H 0.7902 0.6102 0.8356 0.112 Uiso 1 1 calc R
H13F H 0.7526 0.5891 0.8693 0.112 Uiso 1 1 calc R
C137 C 0.1968(17) 0.6567(9) 0.8456(10) 0.056(7) Uiso 1 1 d .
H137 H 0.2192 0.6749 0.8776 0.067 Uiso 1 1 calc R
C138 C 0.1113(17) 0.6542(9) 0.8271(9) 0.052(7) Uiso 1 1 d .
C139 C 0.1050(18) 0.6178(9) 0.7789(10) 0.060(7) Uiso 1 1 d .
H139 H 0.0529 0.6048 0.7572 0.072 Uiso 1 1 calc R
C140 C 0.0343(16) 0.6807(9) 0.8516(9) 0.061(8) Uiso 1 1 d .
H14A H -0.0192 0.6577 0.8443 0.092 Uiso 1 1 calc R
H14B H 0.0222 0.7042 0.8403 0.092 Uiso 1 1 calc R
H14C H 0.0512 0.6968 0.8854 0.092 Uiso 1 1 calc R
C141 C 0.2222(18) 0.4676(9) 0.6146(10) 0.062(8) Uiso 1 1 d .
H141 H 0.1637 0.4696 0.6041 0.074 Uiso 1 1 calc R
C142 C 0.2761(18) 0.4319(9) 0.5887(10) 0.058(7) Uiso 1 1 d .
C143 C 0.3583(19) 0.4489(9) 0.6166(10) 0.065(8) Uiso 1 1 d .
H143 H 0.4117 0.4358 0.6078 0.078 Uiso 1 1 calc R
C144 C 0.2526(18) 0.3896(9) 0.5402(10) 0.069(8) Uiso 1 1 d .
H14D H 0.2440 0.4013 0.5166 0.104 Uiso 1 1 calc R
H14E H 0.1977 0.3704 0.5399 0.104 Uiso 1 1 calc R
H14F H 0.3010 0.3700 0.5332 0.104 Uiso 1 1 calc R
Au37 Au 0.15730(11) 0.29860(7) 0.71417(6) 0.1139(5) Uani 1 1 d .
Au38 Au 0.29439(10) 0.36380(5) 0.81659(7) 0.1218(6) Uani 1 1 d .
Au39 Au 0.37656(11) 0.28342(6) 0.72128(7) 0.1185(6) Uani 1 1 d .
N73 N 0.1644(10) 0.3724(8) 0.8145(9) 0.137(14) Uani 1 1 d G
N74 N 0.1084(15) 0.3483(7) 0.7702(6) 0.106(10) Uani 1 1 d G
C145 C 0.0184(12) 0.3582(8) 0.7786(7) 0.086(10) Uiso 1 1 d G
H145 H -0.0319 0.3469 0.7557 0.103 Uiso 1 1 calc R
C146 C 0.0188(13) 0.3886(8) 0.8280(8) 0.100(11) Uiso 1 1 d G
C147 C 0.1090(16) 0.3974(7) 0.8502(6) 0.101(11) Uiso 1 1 d G
H147 H 0.1284 0.4161 0.8825 0.121 Uiso 1 1 calc R
C148 C -0.049(2) 0.4118(14) 0.8507(14) 0.133(15) Uiso 1 1 d .
H14G H -0.0392 0.4196 0.8839 0.199 Uiso 1 1 calc R
H14H H -0.1060 0.3911 0.8370 0.199 Uiso 1 1 calc R
H14I H -0.0511 0.4411 0.8471 0.199 Uiso 1 1 calc R
N75 N 0.4584(15) 0.3221(9) 0.7802(7) 0.134(13) Uani 1 1 d G
N76 N 0.4251(12) 0.3570(9) 0.8208(11) 0.153(15) Uani 1 1 d G
C149 C 0.4962(18) 0.3762(7) 0.8591(7) 0.107(12) Uiso 1 1 d G
H149 H 0.4928 0.3998 0.8899 0.128 Uiso 1 1 calc R
C150 C 0.5735(12) 0.3532(8) 0.8421(8) 0.084(10) Uiso 1 1 d G
C151 C 0.5501(14) 0.3198(8) 0.7934(8) 0.099(11) Uiso 1 1 d G
H151 H 0.5882 0.2998 0.7735 0.119 Uiso 1 1 calc R
C152 C 0.6655(19) 0.3642(11) 0.8680(11) 0.087(10) Uiso 1 1 d .
H15A H 0.6966 0.3929 0.8682 0.130 Uiso 1 1 calc R
H15B H 0.6987 0.3374 0.8525 0.130 Uiso 1 1 calc R
H15C H 0.6610 0.3693 0.9003 0.130 Uiso 1 1 calc R
N77 N 0.2985(14) 0.2380(9) 0.6605(9) 0.150(15) Uani 1 1 d G
N78 N 0.2057(16) 0.2445(7) 0.6575(8) 0.111(10) Uani 1 1 d G
C153 C 0.1613(13) 0.2071(10) 0.6138(9) 0.108(12) Uiso 1 1 d G
H153 H 0.1002 0.2028 0.6028 0.129 Uiso 1 1 calc R
C154 C 0.227(2) 0.1774(8) 0.5898(7) 0.142(16) Uiso 1 1 d G
C155 C 0.3114(15) 0.1965(10) 0.6187(11) 0.142(16) Uiso 1 1 d G
H155 H 0.3659 0.1840 0.6115 0.171 Uiso 1 1 calc R
C156 C 0.202(3) 0.1286(17) 0.5463(17) 0.19(2) Uiso 1 1 d .
H15D H 0.2562 0.1150 0.5355 0.283 Uiso 1 1 calc R
H15E H 0.1692 0.1329 0.5214 0.283 Uiso 1 1 calc R
H15F H 0.1647 0.1070 0.5547 0.283 Uiso 1 1 calc R
Au40 Au 0.24498(7) 0.32225(4) 0.92591(4) 0.0611(3) Uani 1 1 d .
Au41 Au 0.20286(7) 0.21525(4) 0.93012(4) 0.0537(3) Uani 1 1 d .
Au42 Au 0.33479(7) 0.30818(4) 1.01980(4) 0.0512(3) Uani 1 1 d .
N79 N 0.1746(14) 0.2685(7) 0.8732(9) 0.062(7) Uani 1 1 d .
N80 N 0.1531(13) 0.2245(8) 0.8753(7) 0.057(6) Uani 1 1 d .
N81 N 0.2586(14) 0.2073(8) 0.9863(8) 0.062(6) Uani 1 1 d .
N82 N 0.3147(13) 0.2443(7) 1.0215(7) 0.055(6) Uani 1 1 d .
N83 N 0.3510(13) 0.3747(7) 1.0213(8) 0.057(6) Uani 1 1 d .
N84 N 0.3186(14) 0.3775(8) 0.9822(9) 0.073(8) Uani 1 1 d .
C157 C 0.1346(19) 0.2627(10) 0.8317(11) 0.074(9) Uiso 1 1 d .
H157 H 0.1345 0.2873 0.8221 0.088 Uiso 1 1 calc R
C158 C 0.0933(18) 0.2162(10) 0.8046(10) 0.065(8) Uiso 1 1 d .
C159 C 0.1042(17) 0.1923(9) 0.8334(10) 0.060(7) Uiso 1 1 d .
H159 H 0.0819 0.1602 0.8253 0.072 Uiso 1 1 calc R
C160 C 0.044(2) 0.1887(10) 0.7531(11) 0.085(10) Uiso 1 1 d .
H16D H 0.0029 0.2085 0.7476 0.128 Uiso 1 1 calc R
H16E H 0.0104 0.1589 0.7491 0.128 Uiso 1 1 calc R
H16F H 0.0877 0.1818 0.7306 0.128 Uiso 1 1 calc R
C161 C 0.2578(18) 0.1686(10) 0.9980(10) 0.063(8) Uiso 1 1 d .
H161 H 0.2254 0.1382 0.9786 0.076 Uiso 1 1 calc R
C162 C 0.3063(16) 0.1782(8) 1.0386(9) 0.049(7) Uiso 1 1 d .
C163 C 0.3439(16) 0.2272(8) 1.0517(9) 0.050(7) Uiso 1 1 d .
H163 H 0.3850 0.2454 1.0787 0.060 Uiso 1 1 calc R
C164 C 0.3203(16) 0.1497(8) 1.0655(9) 0.056(7) Uiso 1 1 d .
H16G H 0.2937 0.1637 1.0948 0.085 Uiso 1 1 calc R
H16H H 0.3841 0.1501 1.0724 0.085 Uiso 1 1 calc R
H16I H 0.2922 0.1169 1.0467 0.085 Uiso 1 1 calc R
C165 C 0.3946(18) 0.4145(9) 1.0511(11) 0.067(8) Uiso 1 1 d .
H165 H 0.4215 0.4200 1.0810 0.080 Uiso 1 1 calc R
C166 C 0.3979(17) 0.4507(9) 1.0331(10) 0.057(7) Uiso 1 1 d .
C167 C 0.3420(17) 0.4219(9) 0.9882(10) 0.061(8) Uiso 1 1 d .
H167 H 0.3248 0.4334 0.9664 0.073 Uiso 1 1 calc R
C168 C 0.4390(18) 0.5029(9) 1.0580(10) 0.070(8) Uiso 1 1 d .
H16J H 0.4932 0.5061 1.0780 0.105 Uiso 1 1 calc R
H16K H 0.3965 0.5220 1.0772 0.105 Uiso 1 1 calc R
H16L H 0.4537 0.5141 1.0347 0.105 Uiso 1 1 calc R
Au43 Au -0.04713(7) 0.22584(4) 0.93765(4) 0.0528(3) Uani 1 1 d .
Au44 Au 0.09255(7) 0.32129(4) 1.02148(4) 0.0562(3) Uani 1 1 d .
Au45 Au -0.00703(7) 0.32904(4) 0.92627(4) 0.0600(3) Uani 1 1 d .
N85 N 0.0068(12) 0.2219(7) 0.9958(7) 0.046(5) Uani 1 1 d .
N86 N 0.0652(14) 0.2585(7) 1.0268(8) 0.058(6) Uani 1 1 d .
N87 N 0.1096(13) 0.3838(7) 1.0164(8) 0.059(6) Uani 1 1 d .
N88 N 0.0657(13) 0.3864(7) 0.9794(7) 0.051(6) Uani 1 1 d .
N89 N -0.0769(14) 0.2689(7) 0.8724(8) 0.061(6) Uani 1 1 d .
N90 N -0.0957(13) 0.2284(7) 0.8792(7) 0.052(6) Uani 1 1 d .
C169 C 0.1499(18) 0.4270(10) 1.0447(11) 0.068(8) Uiso 1 1 d .
H169 H 0.1815 0.4352 1.0743 0.081 Uiso 1 1 calc R
C170 C 0.1403(16) 0.4604(8) 1.0250(9) 0.049(7) Uiso 1 1 d .
C171 C 0.0876(15) 0.4314(8) 0.9840(9) 0.048(7) Uiso 1 1 d .
H171 H 0.0686 0.4415 0.9613 0.057 Uiso 1 1 calc R
C172 C 0.182(2) 0.5119(11) 1.0470(12) 0.098(11) Uiso 1 1 d .
H17A H 0.2219 0.5169 1.0262 0.146 Uiso 1 1 calc R
H17B H 0.2160 0.5197 1.0770 0.146 Uiso 1 1 calc R
H17C H 0.1354 0.5325 1.0519 0.146 Uiso 1 1 calc R
C173 C -0.1205(17) 0.2611(9) 0.8292(10) 0.062(8) Uiso 1 1 d .
H173 H -0.1243 0.2844 0.8180 0.074 Uiso 1 1 calc R
C174 C -0.1575(19) 0.2133(10) 0.8054(11) 0.073(9) Uiso 1 1 d .
C175 C -0.1437(17) 0.1950(10) 0.8370(10) 0.063(8) Uiso 1 1 d .
H175 H -0.1644 0.1633 0.8309 0.075 Uiso 1 1 calc R
C176 C -0.2057(18) 0.1888(9) 0.7577(10) 0.068(8) Uiso 1 1 d .
H17D H -0.1766 0.1615 0.7386 0.102 Uiso 1 1 calc R
H17E H -0.2052 0.2109 0.7436 0.102 Uiso 1 1 calc R
H17F H -0.2672 0.1778 0.7593 0.102 Uiso 1 1 calc R
C177 C 0.0011(18) 0.1883(10) 1.0078(10) 0.066(8) Uiso 1 1 d .
H177 H -0.0350 0.1586 0.9901 0.079 Uiso 1 1 calc R
C178 C 0.0559(18) 0.2002(9) 1.0514(10) 0.062(8) Uiso 1 1 d .
C179 C 0.0954(17) 0.2469(9) 1.0625(10) 0.057(7) Uiso 1 1 d .
H179 H 0.1353 0.2670 1.0895 0.068 Uiso 1 1 calc R
C180 C 0.0694(18) 0.1732(9) 1.0816(10) 0.072(9) Uiso 1 1 d .
H18A H 0.0375 0.1408 1.0651 0.108 Uiso 1 1 calc R
H18B H 0.0462 0.1899 1.1116 0.108 Uiso 1 1 calc R
H18C H 0.1328 0.1717 1.0872 0.108 Uiso 1 1 calc R
C181 C 0.858(3) 0.7037(15) 0.5887(15) 0.125(14) Uiso 1 1 d .
C182 C 0.9350(14) 0.8302(7) 0.6092(8) 0.037(6) Uiso 1 1 d .
C183 C 0.857(3) 0.8893(14) 0.5848(14) 0.111(13) Uiso 1 1 d .
C184 C 0.860(2) 0.8718(10) 0.6025(11) 0.070(9) Uiso 1 1 d .
C185 C 0.969(4) 0.891(2) 0.602(2) 0.20(2) Uiso 1 1 d .
C186 C 1.015(3) 0.9416(15) 0.6342(15) 0.115(13) Uiso 1 1 d .
C187 C 1.007(2) 0.9553(11) 0.6093(12) 0.079(9) Uiso 1 1 d .
C193 C 0.0068(16) 0.8305(8) 0.7121(9) 0.049(7) Uiso 1 1 d .
Cl1 Cl 0.8441(14) 0.6574(8) 0.6019(8) 0.280(9) Uiso 1 1 d .
Cl2 Cl 0.9029(15) 0.7563(8) 0.6435(8) 0.286(10) Uiso 1 1 d .
O1 O -0.007(2) 0.8901(11) 0.7499(11) 0.160(11) Uiso 1 1 d .
O1W O 0.0559(15) 0.9262(8) 0.6979(9) 0.112(8) Uiso 1 1 d .
O2W O 0.1515(18) 0.9365(9) 0.7943(10) 0.137(9) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Au Au -2.0133 8.8022 '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'
C C 0.0033 0.0016 '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'
O O 0.0106 0.0060 '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'
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 177.4(10) . .
N1 Au1 Au2 61.6(7) . .
N6 Au1 Au2 118.9(8) . .
N2 Au2 N3 178.2(11) . .
N2 Au2 Au1 58.4(8) . .
N3 Au2 Au1 120.3(7) . .
N5 Au3 N4 176.3(11) . .
C1 N1 N2 107(3) . .
C1 N1 Au1 137(2) . .
N2 N1 Au1 115.8(18) . .
C3 N2 N1 106(3) . .
C3 N2 Au2 129(3) . .
N1 N2 Au2 124(2) . .
C5 N3 N4 108(3) . .
C5 N3 Au2 128(2) . .
N4 N3 Au2 122.3(17) . .
C7 N4 N3 109(2) . .
C7 N4 Au3 133(2) . .
N3 N4 Au3 117.4(16) . .
N6 N5 C9 109(2) . .
N6 N5 Au3 122(2) . .
C9 N5 Au3 128(2) . .
C11 N6 N5 108(3) . .
C11 N6 Au1 131(2) . .
N5 N6 Au1 121(2) . .
N1 C1 C2 113(3) . .
C3 C2 C1 101(3) . .
C3 C2 C4 128(4) . .
C1 C2 C4 130(4) . .
N2 C3 C2 112(4) . .
N3 C5 C6 106(3) . .
C7 C6 C5 110(3) . .
C7 C6 C8 125(4) . .
C5 C6 C8 125(4) . .
N4 C7 C6 106(3) . .
C10 C9 N5 105(3) . .
C11 C10 C9 105(3) . .
C11 C10 C12 131(3) . .
C9 C10 C12 124(3) . .
N6 C11 C10 112(3) . .
N7 Au4 N12 175.9(11) . .
N9 Au5 N8 176.5(10) . .
N9 Au5 Au8 92.5(6) . .
N8 Au5 Au8 84.0(7) . .
N9 Au5 Au6 60.9(7) . .
N8 Au5 Au6 118.8(7) . .
Au8 Au5 Au6 94.41(4) . .
N11 Au6 N10 176.2(10) . .
N11 Au6 Au5 121.2(6) . .
N10 Au6 Au5 61.0(7) . .
N8 N7 C17 105(2) . .
N8 N7 Au4 122(2) . .
C17 N7 Au4 134(2) . .
N7 N8 C19 110(3) . .
N7 N8 Au5 120.4(18) . .
C19 N8 Au5 129(2) . .
C21 N9 N10 109(2) . .
C21 N9 Au5 133(2) . .
N10 N9 Au5 117.1(18) . .
C23 N10 N9 105(2) . .
C23 N10 Au6 133(2) . .
N9 N10 Au6 120.9(19) . .
C13 N11 N12 107(2) . .
C13 N11 Au6 132(2) . .
N12 N11 Au6 119.4(15) . .
C15 N12 N11 107(2) . .
C15 N12 Au4 133(2) . .
N11 N12 Au4 120.4(15) . .
N11 C13 C14 110(3) . .
C15 C14 C16 130(3) . .
C15 C14 C13 102(3) . .
C16 C14 C13 127(3) . .
C14 C15 N12 114(3) . .
C18 C17 N7 110(3) . .
C19 C18 C17 104(3) . .
C19 C18 C20 132(3) . .
C17 C18 C20 124(3) . .
C18 C19 N8 111(3) . .
C22 C21 N9 110(3) . .
C21 C22 C23 104(3) . .
C21 C22 C24 129(3) . .
C23 C22 C24 126(3) . .
N10 C23 C22 112(3) . .
N18 Au7 N13 179.3(11) . .
N18 Au7 Au8 120.0(7) . .
N13 Au7 Au8 59.5(7) . .
N18 Au7 Au9 58.9(7) . .
N13 Au7 Au9 120.7(7) . .
Au8 Au7 Au9 61.42(4) . .
N14 Au8 N15 179.2(11) . .
N14 Au8 Au5 91.2(7) . .
N15 Au8 Au5 89.3(8) . .
N14 Au8 Au7 60.5(6) . .
N15 Au8 Au7 118.8(8) . .
Au5 Au8 Au7 95.11(5) . .
N17 Au9 N16 177.2(9) . .
N17 Au9 Au15 92.5(6) . .
N16 Au9 Au15 90.3(6) . .
N17 Au9 Au7 60.1(6) . .
N16 Au9 Au7 117.3(7) . .
Au15 Au9 Au7 143.80(4) . .
C25 N13 N14 112(2) . .
C25 N13 Au7 129(2) . .
N14 N13 Au7 119.0(16) . .
C27 N14 N13 105(2) . .
C27 N14 Au8 134(2) . .
N13 N14 Au8 120.9(15) . .
C29 N15 N16 108(2) . .
C29 N15 Au8 131(2) . .
N16 N15 Au8 120.9(18) . .
C31 N16 N15 109(3) . .
C31 N16 Au9 129(2) . .
N15 N16 Au9 120.5(16) . .
C33 N17 N18 105(2) . .
C33 N17 Au9 135(2) . .
N18 N17 Au9 118.8(17) . .
N17 N18 C35 111(2) . .
N17 N18 Au7 120.8(18) . .
C35 N18 Au7 127.2(19) . .
N13 C25 C26 110(3) . .
C25 C26 C27 102(3) . .
C25 C26 C28 129(3) . .
C27 C26 C28 130(3) . .
N14 C27 C26 111(3) . .
N15 C29 C30 110(3) . .
C29 C30 C31 103(3) . .
C29 C30 C32 125(3) . .
C31 C30 C32 132(3) . .
N16 C31 C30 110(3) . .
N17 C33 C34 114(3) . .
C33 C34 C35 106(3) . .
C33 C34 C36 132(3) . .
C35 C34 C36 122(3) . .
N18 C35 C34 104(2) . .
N19 Au10 N24 177.8(9) . .
N19 Au10 Au11 86.8(6) . 2_676
N24 Au10 Au11 91.3(6) . 2_676
N19 Au10 Au11 59.5(8) . .
N24 Au10 Au11 121.1(6) . .
Au11 Au10 Au11 75.91(5) 2_676 .
N19 Au10 Au12 119.6(8) . .
N24 Au10 Au12 61.3(7) . .
Au11 Au10 Au12 83.77(4) 2_676 .
Au11 Au10 Au12 60.27(4) . .
N21 Au11 N20 178.8(11) . .
N21 Au11 Au10 82.2(6) . 2_676
N20 Au11 Au10 98.6(7) . 2_676
N21 Au11 Au10 118.3(7) . .
N20 Au11 Au10 60.7(8) . .
Au10 Au11 Au10 104.09(5) 2_676 .
N21 Au11 Au12 58.2(7) . .
N20 Au11 Au12 120.7(8) . .
Au10 Au11 Au12 97.69(5) 2_676 .
Au10 Au11 Au12 60.05(4) . .
N21 Au11 Au13 66.5(6) . .
N20 Au11 Au13 112.7(7) . .
Au10 Au11 Au13 148.62(5) 2_676 .
Au10 Au11 Au13 92.60(4) . .
Au12 Au11 Au13 67.74(4) . .
N22 Au12 N23 174.7(8) . .
N22 Au12 Au10 119.0(7) . .
N23 Au12 Au10 59.4(7) . .
N22 Au12 Au14 92.4(6) . .
N23 Au12 Au14 92.9(6) . .
Au10 Au12 Au14 111.69(4) . .
N22 Au12 Au11 59.3(7) . .
N23 Au12 Au11 118.9(7) . .
Au10 Au12 Au11 59.67(4) . .
Au14 Au12 Au11 113.80(4) . .
N20 N19 C37 106(2) . .
N20 N19 Au10 122(2) . .
C37 N19 Au10 131(2) . .
C39 N20 N19 107(2) . .
C39 N20 Au11 136(2) . .
N19 N20 Au11 117(2) . .
N22 N21 C41 108(2) . .
N22 N21 Au11 123.2(19) . .
C41 N21 Au11 129(2) . .
N21 N22 C43 109(3) . .
N21 N22 Au12 119.0(18) . .
C43 N22 Au12 131(2) . .
N24 N23 C45 111(2) . .
N24 N23 Au12 119.4(19) . .
C45 N23 Au12 129(2) . .
C47 N24 N23 107(2) . .
C47 N24 Au10 133(2) . .
N23 N24 Au10 119.7(18) . .
C38 C37 N19 109(3) . .
C37 C38 C39 109(3) . .
C37 C38 C40 129(3) . .
C39 C38 C40 122(3) . .
N20 C39 C38 108(3) . .
C42 C41 N21 108(3) . .
C41 C42 C43 106(3) . .
C41 C42 C44 131(3) . .
C43 C42 C44 123(3) . .
N22 C43 C42 109(3) . .
N23 C45 C46 106(3) . .
C47 C46 C45 105(3) . .
C47 C46 C48 130(3) . .
C45 C46 C48 125(3) . .
N24 C47 C46 111(3) . .
N25 Au13 N30 177.6(9) . .
N25 Au13 Au14 58.1(6) . .
N30 Au13 Au14 119.8(6) . .
N25 Au13 Au11 113.7(6) . .
N30 Au13 Au11 67.4(6) . .
Au14 Au13 Au11 105.35(4) . .
N27 Au14 N26 176.6(8) . .
N27 Au14 Au16 89.5(6) . .
N26 Au14 Au16 87.8(5) . .
N27 Au14 Au13 120.4(6) . .
N26 Au14 Au13 61.8(6) . .
Au16 Au14 Au13 92.62(4) . .
N27 Au14 Au12 90.6(6) . .
N26 Au14 Au12 92.6(6) . .
Au16 Au14 Au12 162.94(5) . .
Au13 Au14 Au12 72.73(4) . .
N29 Au15 N28 176.3(9) . .
N29 Au15 Au9 92.6(6) . .
N28 Au15 Au9 88.7(6) . .
N26 N25 C49 104(2) . .
N26 N25 Au13 125.8(15) . .
C49 N25 Au13 130.1(19) . .
N25 N26 C51 113(2) . .
N25 N26 Au14 114.2(15) . .
C51 N26 Au14 132.2(18) . .
C53 N27 N28 105(2) . .
C53 N27 Au14 132.1(18) . .
N28 N27 Au14 122.1(15) . .
C55 N28 N27 112(2) . .
C55 N28 Au15 129(2) . .
N27 N28 Au15 118.4(15) . .
N30 N29 C57 108(2) . .
N30 N29 Au15 120.9(15) . .
C57 N29 Au15 130.9(17) . .
N29 N30 C59 107(2) . .
N29 N30 Au13 120.7(16) . .
C59 N30 Au13 132.3(18) . .
C50 C49 N25 111(3) . .
C49 C50 C51 105(3) . .
C49 C50 C52 129(3) . .
C51 C50 C52 126(3) . .
N26 C51 C50 106(2) . .
N27 C53 C54 110(2) . .
C55 C54 C53 104(3) . .
C55 C54 C56 137(3) . .
C53 C54 C56 119(3) . .
C54 C55 N28 109(3) . .
C58 C57 N29 111(2) . .
C57 C58 C59 100(2) . .
C57 C58 C60 131(3) . .
C59 C58 C60 129(3) . .
N30 C59 C58 115(2) . .
N31 Au16 N36 179.5(7) . .
N31 Au16 Au14 93.6(5) . .
N36 Au16 Au14 86.3(6) . .
N31 Au16 Au17 59.6(5) . .
N36 Au16 Au17 119.9(5) . .
Au14 Au16 Au17 98.82(4) . .
N33 Au17 N32 175.1(7) . .
N33 Au17 Au16 118.8(6) . .
N32 Au17 Au16 60.2(6) . .
N33 Au17 Au21 83.2(5) . .
N32 Au17 Au21 101.7(5) . .
Au16 Au17 Au21 112.67(4) . .
N35 Au18 N34 176.9(8) . .
N35 Au18 Au25 92.3(5) . .
N34 Au18 Au25 89.8(5) . .
N35 Au18 Au20 109.4(5) . .
N34 Au18 Au20 72.0(5) . .
Au25 Au18 Au20 108.07(4) . .
N32 N31 C71 104(2) . .
N32 N31 Au16 123.5(14) . .
C71 N31 Au16 132.1(17) . .
C69 N32 N31 113(2) . .
C69 N32 Au17 129.2(18) . .
N31 N32 Au17 116.6(15) . .
C61 N33 N34 106.6(18) . .
C61 N33 Au17 126.8(18) . .
N34 N33 Au17 122.1(14) . .
N33 N34 C63 110.0(17) . .
N33 N34 Au18 117.3(13) . .
C63 N34 Au18 132.2(15) . .
N36 N35 C65 106.8(16) . .
N36 N35 Au18 121.6(14) . .
C65 N35 Au18 131.6(15) . .
C67 N36 N35 108(2) . .
C67 N36 Au16 132.2(18) . .
N35 N36 Au16 119.3(13) . .
N33 C61 C62 109(2) . .
C63 C62 C61 106(2) . .
C63 C62 C64 128(2) . .
C61 C62 C64 126(2) . .
C62 C63 N34 108(2) . .
C66 C65 N35 109(2) . .
C65 C66 C67 107(2) . .
C65 C66 C68 128(3) . .
C67 C66 C68 125(2) . .
N36 C67 C66 109(2) . .
N32 C69 C70 109(2) . .
C69 C70 C71 107(2) . .
C69 C70 C72 129(2) . .
C71 C70 C72 125(2) . .
N31 C71 C70 107(2) . .
N37 Au19 N42 176.8(8) . .
N37 Au19 Au20 60.5(6) . .
N42 Au19 Au20 120.1(6) . .
N37 Au19 Au21 120.4(6) . .
N42 Au19 Au21 60.2(6) . .
Au20 Au19 Au21 59.89(3) . .
N39 Au20 N38 176.8(9) . .
N39 Au20 Au19 121.7(7) . .
N38 Au20 Au19 61.5(6) . .
N39 Au20 Au21 61.3(7) . .
N38 Au20 Au21 121.8(6) . .
Au19 Au20 Au21 60.42(3) . .
N39 Au20 Au18 110.3(7) . .
N38 Au20 Au18 70.6(6) . .
Au19 Au20 Au18 78.67(3) . .
Au21 Au20 Au18 100.88(4) . .
N41 Au21 N40 177.4(10) . .
N41 Au21 Au20 119.2(6) . .
N40 Au21 Au20 58.5(8) . .
N41 Au21 Au19 59.6(6) . .
N40 Au21 Au19 118.2(8) . .
Au20 Au21 Au19 59.69(3) . .
N41 Au21 Au17 82.2(5) . .
N40 Au21 Au17 98.4(6) . .
Au20 Au21 Au17 78.78(4) . .
Au19 Au21 Au17 69.03(3) . .
C73 N37 N38 102(2) . .
C73 N37 Au19 136.1(18) . .
N38 N37 Au19 121.6(14) . .
C75 N38 N37 109.9(18) . .
C75 N38 Au20 133.7(16) . .
N37 N38 Au20 116.4(14) . .
C77 N39 N40 108(2) . .
C77 N39 Au20 133(2) . .
N40 N39 Au20 118.8(17) . .
C79 N40 N39 107(2) . .
C79 N40 Au21 131(2) . .
N39 N40 Au21 121.3(18) . .
C81 N41 N42 107(2) . .
C81 N41 Au21 132.7(19) . .
N42 N41 Au21 120.3(15) . .
C83 N42 N41 108(2) . .
C83 N42 Au19 132.5(18) . .
N41 N42 Au19 119.7(15) . .
N37 C73 C74 115(2) . .
C73 C74 C75 103(2) . .
C73 C74 C76 131(2) . .
C75 C74 C76 126(2) . .
N38 C75 C74 110(2) . .
N39 C77 C78 108(3) . .
C79 C78 C77 103(3) . .
C79 C78 C80 132(3) . .
C77 C78 C80 125(3) . .
C78 C79 N40 113(3) . .
N41 C81 C82 114(3) . .
C81 C82 C84 136(3) . .
C81 C82 C83 100(2) . .
C84 C82 C83 124(2) . .
N42 C83 C82 112(2) . .
N48 Au22 N43 175.0(8) . .
N48 Au22 Au24 60.9(5) . .
N43 Au22 Au24 119.5(6) . .
N48 Au22 Au23 120.6(6) . .
N43 Au22 Au23 59.5(6) . .
Au24 Au22 Au23 60.06(3) . .
N44 Au23 N45 178.3(9) . .
N44 Au23 Au24 119.7(6) . .
N45 Au23 Au24 59.1(6) . .
N44 Au23 Au22 60.3(6) . .
N45 Au23 Au22 118.4(6) . .
Au24 Au23 Au22 59.44(3) . .
N44 Au23 Au26 75.6(6) . .
N45 Au23 Au26 103.3(6) . .
Au24 Au23 Au26 98.22(4) . .
Au22 Au23 Au26 81.60(3) . .
N47 Au24 N46 177.9(8) . .
N47 Au24 Au27 91.4(6) . .
N46 Au24 Au27 90.6(6) . .
N47 Au24 Au22 60.5(7) . .
N46 Au24 Au22 119.3(6) . .
Au27 Au24 Au22 73.12(3) . .
N47 Au24 Au23 120.3(7) . .
N46 Au24 Au23 59.2(6) . .
Au27 Au24 Au23 79.87(4) . .
Au22 Au24 Au23 60.50(3) . .
C89 N43 N44 109(2) . .
C89 N43 Au22 131.1(18) . .
N44 N43 Au22 119.4(16) . .
C91 N44 N43 104.4(19) . .
C91 N44 Au23 135.4(17) . .
N43 N44 Au23 120.1(16) . .
N46 N45 C93 111.8(19) . .
N46 N45 Au23 119.8(14) . .
C93 N45 Au23 128.4(18) . .
N45 N46 C95 105.5(19) . .
N45 N46 Au24 121.6(14) . .
C95 N46 Au24 132.8(18) . .
C85 N47 N48 107(2) . .
C85 N47 Au24 133.8(18) . .
N48 N47 Au24 118.9(17) . .
C87 N48 N47 104(2) . .
C87 N48 Au22 136.5(17) . .
N47 N48 Au22 119.6(15) . .
C86 C85 N47 115(3) . .
C85 C86 C87 103(3) . .
C85 C86 C88 134(3) . .
C87 C86 C88 124(3) . .
N48 C87 C86 111(2) . .
C90 C89 N43 109(2) . .
C89 C90 C91 107(3) . .
C89 C90 C92 130(2) . .
C91 C90 C92 123(3) . .
N44 C91 C90 111(2) . .
N45 C93 C94 108(2) . .
C95 C94 C93 100(2) . .
C95 C94 C96 128(2) . .
C93 C94 C96 131(3) . .
N46 C95 C94 114(2) . .
N49 Au25 N54 178.1(7) . .
N49 Au25 Au18 92.9(5) . .
N54 Au25 Au18 88.9(5) . .
N49 Au25 Au27 118.1(5) . .
N54 Au25 Au27 60.3(5) . .
Au18 Au25 Au27 147.23(4) . .
N49 Au25 Au26 59.3(5) . .
N54 Au25 Au26 119.0(5) . .
Au18 Au25 Au26 150.21(4) . .
Au27 Au25 Au26 58.76(3) . .
N50 Au26 N51 178.1(9) . .
N50 Au26 Au27 119.6(6) . .
N51 Au26 Au27 59.8(6) . .
N50 Au26 Au25 59.4(6) . .
N51 Au26 Au25 120.2(6) . .
Au27 Au26 Au25 60.62(3) . .
N50 Au26 Au23 103.2(6) . .
N51 Au26 Au23 75.0(6) . .
Au27 Au26 Au23 76.18(3) . .
Au25 Au26 Au23 95.74(4) . .
N53 Au27 N52 176.8(8) . .
N53 Au27 Au26 121.2(5) . .
N52 Au27 Au26 59.9(6) . .
N53 Au27 Au24 90.8(5) . .
N52 Au27 Au24 91.7(5) . .
Au26 Au27 Au24 105.71(4) . .
N53 Au27 Au25 60.6(5) . .
N52 Au27 Au25 120.2(6) . .
Au26 Au27 Au25 60.62(3) . .
Au24 Au27 Au25 109.35(4) . .
C101 N49 N50 105(2) . .
C101 N49 Au25 134.3(17) . .
N50 N49 Au25 120.2(14) . .
C103 N50 N49 103.4(19) . .
C103 N50 Au26 135.5(17) . .
N49 N50 Au26 119.3(15) . .
N52 N51 C105 108(2) . .
N52 N51 Au26 121.2(16) . .
C105 N51 Au26 130.8(18) . .
N51 N52 C107 109(2) . .
N51 N52 Au27 119.1(15) . .
C107 N52 Au27 131.9(19) . .
C97 N53 N54 107.8(18) . .
C97 N53 Au27 133.5(15) . .
N54 N53 Au27 118.6(13) . .
C99 N54 N53 107.6(17) . .
C99 N54 Au25 132.0(14) . .
N53 N54 Au25 120.4(13) . .
N53 C97 C98 114(2) . .
C97 C98 C99 103(2) . .
C97 C98 C100 131(2) . .
C99 C98 C100 126(2) . .
N54 C99 C98 108.0(19) . .
N49 C101 C102 113(2) . .
C103 C102 C101 101(2) . .
C103 C102 C104 133(3) . .
C101 C102 C104 125(2) . .
C102 C103 N50 117(3) . .
C106 C105 N51 110(2) . .
C105 C106 C107 104(2) . .
C105 C106 C108 130(3) . .
C107 C106 C108 126(2) . .
N52 C107 C106 109(3) . .
N55 Au28 N60 178.5(10) . .
N55 Au28 Au30 119.3(7) . .
N60 Au28 Au30 59.5(7) . .
N55 Au28 Au29 60.0(7) . .
N60 Au28 Au29 118.8(7) . .
Au30 Au28 Au29 59.39(4) . .
N56 Au29 N57 177.7(9) . .
N56 Au29 Au30 120.9(7) . .
N57 Au29 Au30 59.0(8) . .
N56 Au29 Au28 60.8(7) . .
N57 Au29 Au28 119.1(8) . .
Au30 Au29 Au28 60.18(4) . .
N58 Au30 N59 178.6(10) . .
N58 Au30 Au29 60.9(7) . .
N59 Au30 Au29 120.3(6) . .
N58 Au30 Au28 121.3(7) . .
N59 Au30 Au28 59.9(6) . .
Au29 Au30 Au28 60.43(4) . .
C109 N55 N56 106(3) . .
C109 N55 Au28 133(2) . .
N56 N55 Au28 121(2) . .
C111 N56 N55 107(2) . .
C111 N56 Au29 135(2) . .
N55 N56 Au29 118(2) . .
C113 N57 N58 108(3) . .
C113 N57 Au29 132(3) . .
N58 N57 Au29 120.4(17) . .
N57 N58 C115 104(2) . .
N57 N58 Au30 119.3(17) . .
C115 N58 Au30 136(2) . .
N60 N59 C117 109(2) . .
N60 N59 Au30 120(2) . .
C117 N59 Au30 130.6(18) . .
N59 N60 C119 106(3) . .
N59 N60 Au28 121(2) . .
C119 N60 Au28 133(2) . .
N55 C109 C110 110(3) . .
C111 C110 C109 102(3) . .
C111 C110 C112 130(3) . .
C109 C110 C112 127(3) . .
N56 C111 C110 115(3) . .
N57 C113 C114 114(3) . .
C115 C114 C113 96(2) . .
C115 C114 C116 136(3) . .
C113 C114 C116 128(3) . .
C114 C115 N58 118(3) . .
C118 C117 N59 108(3) . .
C117 C118 C119 107(3) . .
C117 C118 C120 129(3) . .
C119 C118 C120 125(3) . .
N60 C119 C118 110(3) . .
N66 Au31 N61 177.8(9) . .
N66 Au31 Au32 119.6(6) . .
N61 Au31 Au32 59.9(6) . .
N66 Au31 Au33 59.9(6) . .
N61 Au31 Au33 119.5(6) . .
Au32 Au31 Au33 59.71(3) . .
N63 Au32 N62 175.6(9) . .
N63 Au32 Au33 61.1(7) . .
N62 Au32 Au33 121.5(7) . .
N63 Au32 Au31 120.8(7) . .
N62 Au32 Au31 61.3(7) . .
Au33 Au32 Au31 60.48(3) . .
N64 Au33 N65 172.7(11) . .
N64 Au33 Au34 92.3(7) . .
N65 Au33 Au34 94.9(7) . .
N64 Au33 Au32 58.2(7) . .
N65 Au33 Au32 117.6(8) . .
Au34 Au33 Au32 108.41(5) . .
N64 Au33 Au31 117.8(7) . .
N65 Au33 Au31 57.8(8) . .
Au34 Au33 Au31 111.37(4) . .
Au32 Au33 Au31 59.81(3) . .
C121 N61 N62 105(2) . .
C121 N61 Au31 134(2) . .
N62 N61 Au31 121.4(15) . .
C123 N62 N61 108(2) . .
C123 N62 Au32 135(2) . .
N61 N62 Au32 117.4(16) . .
C125 N63 N64 109(2) . .
C125 N63 Au32 132(2) . .
N64 N63 Au32 118.6(16) . .
C127 N64 N63 109(2) . .
C127 N64 Au33 129(2) . .
N63 N64 Au33 121.3(17) . .
C129 N65 N66 112(3) . .
C129 N65 Au33 128(2) . .
N66 N65 Au33 120.3(19) . .
N65 N66 C131 105(2) . .
N65 N66 Au31 122.0(19) . .
C131 N66 Au31 132.9(18) . .
C122 C121 N61 109(3) . .
C123 C122 C121 109(3) . .
C123 C122 C124 128(3) . .
C121 C122 C124 123(3) . .
C122 C123 N62 110(3) . .
N63 C125 C126 110(3) . .
C125 C126 C127 103(3) . .
C125 C126 C128 131(3) . .
C127 C126 C128 126(3) . .
N64 C127 C126 109(3) . .
N65 C129 C130 110(3) . .
C131 C130 C129 103(3) . .
C131 C130 C132 130(3) . .
C129 C130 C132 127(3) . .
C130 C131 N66 111(2) . .
N67 Au34 N72 179.8(10) . .
N67 Au34 Au33 90.4(7) . .
N72 Au34 Au33 89.4(6) . .
N67 Au34 Au36 118.6(6) . .
N72 Au34 Au36 61.3(6) . .
Au33 Au34 Au36 73.25(4) . .
N68 Au35 N69 178.0(9) . .
N68 Au35 Au36 117.8(7) . .
N69 Au35 Au36 60.3(6) . .
N71 Au36 N70 177.7(8) . .
N71 Au36 Au34 58.4(6) . .
N70 Au36 Au34 120.0(6) . .
N71 Au36 Au35 119.0(6) . .
N70 Au36 Au35 59.4(6) . .
Au34 Au36 Au35 60.59(3) . .
N68 N67 C133 114(2) . .
N68 N67 Au34 117.5(16) . .
C133 N67 Au34 127.3(18) . .
N67 N68 C135 102(2) . .
N67 N68 Au35 124.9(17) . .
C135 N68 Au35 133.0(19) . .
C137 N69 N70 109.2(19) . .
C137 N69 Au35 132.5(18) . .
N70 N69 Au35 118.1(14) . .
C139 N70 N69 108(2) . .
C139 N70 Au36 129.1(18) . .
N69 N70 Au36 122.0(14) . .
N72 N71 C141 104(2) . .
N72 N71 Au36 127.4(17) . .
C141 N71 Au36 128.8(18) . .
C143 N72 N71 113(2) . .
C143 N72 Au34 134(2) . .
N71 N72 Au34 112.8(17) . .
C134 C133 N67 107(3) . .
C133 C134 C135 107(3) . .
C133 C134 C136 130(3) . .
C135 C134 C136 123(3) . .
C134 C135 N68 110(2) . .
N69 C137 C138 111(2) . .
C137 C138 C139 105(2) . .
C137 C138 C140 129(2) . .
C139 C138 C140 126(2) . .
N70 C139 C138 107(2) . .
N71 C141 C142 109(2) . .
C143 C142 C141 102(2) . .
C143 C142 C144 129(3) . .
C141 C142 C144 129(2) . .
N72 C143 C142 111(3) . .
N74 Au37 N78 176.9(9) . .
N74 Au37 Au39 120.0(8) . .
N78 Au37 Au39 60.2(8) . .
N74 Au37 Au38 60.4(8) . .
N78 Au37 Au38 119.6(8) . .
Au39 Au37 Au38 59.70(5) . .
N73 Au38 N76 178.1(13) . .
N73 Au38 Au39 121.0(8) . .
N76 Au38 Au39 60.9(10) . .
N73 Au38 Au37 61.0(8) . .
N76 Au38 Au37 120.9(10) . .
Au39 Au38 Au37 59.99(5) . .
N75 Au39 N77 174.2(12) . .
N75 Au39 Au38 60.7(9) . .
N77 Au39 Au38 123.3(8) . .
N75 Au39 Au37 121.0(9) . .
N77 Au39 Au37 63.2(8) . .
Au38 Au39 Au37 60.31(5) . .
C147 N73 N74 108.0 . .
C147 N73 Au38 133.0(16) . .
N74 N73 Au38 118.9(16) . .
C145 N74 N73 108.0 . .
C145 N74 Au37 131.4(16) . .
N73 N74 Au37 119.1(16) . .
C146 C145 N74 108.0 . .
C148 C146 C147 123(3) . .
C148 C146 C145 128(3) . .
C147 C146 C145 108.0 . .
N73 C147 C146 108.0 . .
N76 N75 C151 108.0 . .
N76 N75 Au39 120.1(19) . .
C151 N75 Au39 131.6(19) . .
C149 N76 N75 108.0 . .
C149 N76 Au38 133(2) . .
N75 N76 Au38 118(2) . .
N76 C149 C150 108.0 . .
C149 C150 C151 108.0 . .
C149 C150 C152 127(2) . .
C151 C150 C152 124(2) . .
N75 C151 C150 108.0 . .
N78 N77 C155 108.0 . .
N78 N77 Au39 116.7(19) . .
C155 N77 Au39 135.1(19) . .
N77 N78 C153 108.0 . .
N77 N78 Au37 119.9(19) . .
C153 N78 Au37 132.0(19) . .
C154 C153 N78 108.0 . .
C153 C154 C155 108.0 . .
C153 C154 C156 123(3) . .
C155 C154 C156 128(3) . .
C154 C155 N77 108.0 . .
N79 Au40 N84 178.4(10) . .
N79 Au40 Au41 60.5(6) . .
N84 Au40 Au41 117.9(8) . .
N79 Au40 Au42 120.2(6) . .
N84 Au40 Au42 58.3(8) . .
Au41 Au40 Au42 59.73(3) . .
N80 Au41 N81 177.7(8) . .
N80 Au41 Au42 118.8(6) . .
N81 Au41 Au42 59.4(6) . .
N80 Au41 Au40 58.6(6) . .
N81 Au41 Au40 119.6(6) . .
Au42 Au41 Au40 60.22(3) . .
N82 Au42 N83 176.7(9) . .
N82 Au42 Au41 60.7(6) . .
N83 Au42 Au41 120.5(6) . .
N82 Au42 Au40 120.7(6) . .
N83 Au42 Au40 60.7(7) . .
Au41 Au42 Au40 60.06(3) . .
C157 N79 N80 106(2) . .
C157 N79 Au40 133.7(19) . .
N80 N79 Au40 120.1(17) . .
C159 N80 N79 109(2) . .
C159 N80 Au41 130.6(19) . .
N79 N80 Au41 120.6(16) . .
N82 N81 C161 105(2) . .
N82 N81 Au41 120.5(17) . .
C161 N81 Au41 134.0(19) . .
C163 N82 N81 106(2) . .
C163 N82 Au42 134.5(17) . .
N81 N82 Au42 119.3(18) . .
C165 N83 N84 111(2) . .
C165 N83 Au42 132(2) . .
N84 N83 Au42 116.5(16) . .
C167 N84 N83 108(2) . .
C167 N84 Au40 128(2) . .
N83 N84 Au40 124.2(18) . .
N79 C157 C158 112(3) . .
C157 C158 C159 105(3) . .
C157 C158 C160 134(3) . .
C159 C158 C160 121(2) . .
N80 C159 C158 108(2) . .
C162 C161 N81 115(2) . .
C161 C162 C163 99(2) . .
C161 C162 C164 133(2) . .
C163 C162 C164 127(2) . .
N82 C163 C162 114(2) . .
N83 C165 C166 112(3) . .
C167 C166 C165 98(2) . .
C167 C166 C168 133(2) . .
C165 C166 C168 129(3) . .
N84 C167 C166 111(2) . .
N90 Au43 N85 177.6(8) . .
N90 Au43 Au45 60.2(6) . .
N85 Au43 Au45 120.1(5) . .
N90 Au43 Au44 119.8(6) . .
N85 Au43 Au44 60.3(5) . .
Au45 Au43 Au44 59.89(3) . .
N87 Au44 N86 175.6(8) . .
N87 Au44 Au45 59.8(6) . .
N86 Au44 Au45 118.1(7) . .
N87 Au44 Au43 119.6(6) . .
N86 Au44 Au43 58.2(7) . .
Au45 Au44 Au43 59.89(3) . .
N88 Au45 N89 177.5(9) . .
N88 Au45 Au44 58.8(6) . .
N89 Au45 Au44 119.3(7) . .
N88 Au45 Au43 118.7(6) . .
N89 Au45 Au43 59.6(7) . .
Au44 Au45 Au43 60.22(3) . .
C177 N85 N86 110(2) . .
C177 N85 Au43 131(2) . .
N86 N85 Au43 118.8(15) . .
N85 N86 C179 108(2) . .
N85 N86 Au44 122.4(17) . .
C179 N86 Au44 129.1(18) . .
C169 N87 N88 107(2) . .
C169 N87 Au44 134(2) . .
N88 N87 Au44 118.7(15) . .
N87 N88 C171 108(2) . .
N87 N88 Au45 122.4(15) . .
C171 N88 Au45 129.7(19) . .
N90 N89 C173 109(2) . .
N90 N89 Au45 118.7(16) . .
C173 N89 Au45 131.8(19) . .
N89 N90 C175 104(2) . .
N89 N90 Au43 121.3(15) . .
C175 N90 Au43 134.2(19) . .
N87 C169 C170 112(3) . .
C171 C170 C169 100(2) . .
C171 C170 C172 134(3) . .
C169 C170 C172 126(3) . .
N88 C171 C170 113(2) . .
C174 C173 N89 109(3) . .
C175 C174 C173 105(3) . .
C175 C174 C176 128(3) . .
C173 C174 C176 127(3) . .
C174 C175 N90 113(3) . .
N85 C177 C178 113(3) . .
C179 C178 C177 101(2) . .
C179 C178 C180 126(3) . .
C177 C178 C180 133(2) . .
N86 C179 C178 108(2) . .
Cl1 C181 Cl2 107(3) . .
C184 C182 C185 51.6(19) . .
C184 C183 C185 72(4) . .
C183 C184 C185 76(4) . .
C183 C184 C182 136(4) . .
C185 C184 C182 69(2) . .
C186 C185 C184 123(4) . .
C186 C185 C183 112(4) . .
C184 C185 C183 31.8(18) . .
C186 C185 C187 33(2) . .
C184 C185 C187 121(4) . .
C183 C185 C187 95(3) . .
C186 C185 C182 136(4) . .
C184 C185 C182 59(2) . .
C183 C185 C182 88(3) . .
C187 C185 C182 168(4) . .
C187 C186 C185 96(4) . .
C186 C187 C185 51(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 N1 1.96(2) .
Au1 N6 1.97(3) .
Au1 Au2 3.3283(19) .
Au2 N2 1.95(3) .
Au2 N3 1.97(2) .
Au3 N5 1.97(2) .
Au3 N4 1.99(2) .
N1 C1 1.31(4) .
N1 N2 1.37(3) .
N2 C3 1.37(4) .
N3 C5 1.32(4) .
N3 N4 1.41(3) .
N4 C7 1.32(3) .
N5 N6 1.33(3) .
N5 C9 1.42(4) .
N6 C11 1.32(4) .
C1 C2 1.42(5) .
C2 C3 1.37(5) .
C2 C4 1.50(4) .
C5 C6 1.40(5) .
C6 C7 1.37(4) .
C6 C8 1.60(5) .
C9 C10 1.41(4) .
C10 C11 1.36(4) .
C10 C12 1.60(5) .
Au4 N7 2.00(2) .
Au4 N12 2.03(2) .
Au5 N9 2.03(2) .
Au5 N8 2.06(2) .
Au5 Au8 3.1764(18) .
Au5 Au6 3.3191(17) .
Au6 N11 1.97(2) .
Au6 N10 1.98(2) .
N7 N8 1.30(3) .
N7 C17 1.41(4) .
N8 C19 1.34(4) .
N9 C21 1.37(4) .
N9 N10 1.37(3) .
N10 C23 1.37(4) .
N11 C13 1.37(3) .
N11 N12 1.37(3) .
N12 C15 1.37(3) .
C13 C14 1.43(4) .
C14 C15 1.36(4) .
C14 C16 1.43(3) .
C17 C18 1.37(4) .
C18 C19 1.33(4) .
C18 C20 1.49(4) .
C21 C22 1.36(4) .
C22 C23 1.39(4) .
C22 C24 1.49(4) .
Au7 N18 2.00(2) .
Au7 N13 2.01(2) .
Au7 Au8 3.3292(18) .
Au7 Au9 3.3791(17) .
Au8 N14 1.96(2) .
Au8 N15 1.98(2) .
Au9 N17 1.99(2) .
Au9 N16 2.00(2) .
Au9 Au15 3.2932(15) .
N13 C25 1.33(3) .
N13 N14 1.35(3) .
N14 C27 1.31(3) .
N15 C29 1.33(4) .
N15 N16 1.38(3) .
N16 C31 1.31(4) .
N17 C33 1.32(4) .
N17 N18 1.36(3) .
N18 C35 1.37(3) .
C25 C26 1.35(4) .
C26 C27 1.46(4) .
C26 C28 1.55(4) .
C29 C30 1.41(4) .
C30 C31 1.42(4) .
C30 C32 1.57(5) .
C33 C34 1.33(4) .
C34 C35 1.42(4) .
C34 C36 1.51(4) .
Au10 N19 1.97(3) .
Au10 N24 2.00(2) .
Au10 Au11 3.2771(18) 2_676
Au10 Au11 3.340(2) .
Au10 Au12 3.3534(18) .
Au11 N21 1.97(2) .
Au11 N20 2.00(2) .
Au11 Au10 3.2771(18) 2_676
Au11 Au12 3.3607(19) .
Au11 Au13 3.7357(17) .
Au12 N22 1.99(2) .
Au12 N23 2.07(2) .
Au12 Au14 3.3564(16) .
N19 N20 1.37(3) .
N19 C37 1.40(3) .
N20 C39 1.36(3) .
N21 N22 1.31(3) .
N21 C41 1.40(4) .
N22 C43 1.33(3) .
N23 N24 1.34(3) .
N23 C45 1.36(4) .
N24 C47 1.33(3) .
C37 C38 1.28(3) .
C38 C39 1.36(3) .
C38 C40 1.53(4) .
C41 C42 1.35(4) .
C42 C43 1.40(4) .
C42 C44 1.60(4) .
C45 C46 1.41(4) .
C46 C47 1.37(4) .
C46 C48 1.47(4) .
Au13 N25 2.01(2) .
Au13 N30 2.01(2) .
Au13 Au14 3.3342(16) .
Au14 N27 1.979(18) .
Au14 N26 2.036(19) .
Au14 Au16 3.2040(15) .
Au15 N29 2.017(19) .
Au15 N28 2.06(2) .
N25 N26 1.31(3) .
N25 C49 1.36(3) .
N26 C51 1.31(3) .
N27 C53 1.27(3) .
N27 N28 1.37(3) .
N28 C55 1.32(3) .
N29 N30 1.30(2) .
N29 C57 1.41(3) .
N30 C59 1.34(3) .
C49 C50 1.34(3) .
C50 C51 1.40(3) .
C50 C52 1.50(3) .
C53 C54 1.50(4) .
C54 C55 1.30(4) .
C54 C56 1.58(4) .
C57 C58 1.37(3) .
C58 C59 1.40(3) .
C58 C60 1.40(3) .
Au16 N31 1.959(19) .
Au16 N36 2.001(19) .
Au16 Au17 3.3227(15) .
Au17 N33 1.999(17) .
Au17 N32 2.032(18) .
Au17 Au21 3.3797(15) .
Au18 N35 1.992(16) .
Au18 N34 2.006(17) .
Au18 Au25 3.3157(14) .
Au18 Au20 3.6375(15) .
N31 N32 1.32(2) .
N31 C71 1.41(3) .
N32 C69 1.32(3) .
N33 C61 1.33(3) .
N33 N34 1.35(2) .
N34 C63 1.37(2) .
N35 N36 1.36(2) .
N35 C65 1.40(3) .
N36 C67 1.30(3) .
C61 C62 1.43(3) .
C62 C63 1.34(3) .
C62 C64 1.57(3) .
C65 C66 1.29(3) .
C66 C67 1.41(3) .
C66 C68 1.53(4) .
C69 C70 1.33(3) .
C70 C71 1.42(3) .
C70 C72 1.55(3) .
Au19 N37 1.95(2) .
Au19 N42 1.995(19) .
Au19 Au20 3.3414(15) .
Au19 Au21 3.3663(15) .
Au20 N39 1.95(3) .
Au20 N38 1.993(19) .
Au20 Au21 3.3484(16) .
Au21 N41 2.01(2) .
Au21 N40 2.01(2) .
N37 C73 1.36(3) .
N37 N38 1.43(2) .
N38 C75 1.33(3) .
N39 C77 1.35(3) .
N39 N40 1.36(3) .
N40 C79 1.35(3) .
N41 C81 1.33(3) .
N41 N42 1.36(3) .
N42 C83 1.30(3) .
C73 C74 1.37(3) .
C74 C75 1.41(3) .
C74 C76 1.50(3) .
C77 C78 1.45(4) .
C78 C79 1.33(4) .
C78 C80 1.48(3) .
C81 C82 1.36(3) .
C82 C84 1.41(3) .
C82 C83 1.44(3) .
Au22 N48 1.950(19) .
Au22 N43 2.032(18) .
Au22 Au24 3.3421(15) .
Au22 Au23 3.3780(15) .
Au23 N44 1.99(2) .
Au23 N45 2.014(17) .
Au23 Au24 3.3632(16) .
Au23 Au26 3.6232(15) .
Au24 N47 1.98(2) .
Au24 N46 1.987(19) .
Au24 Au27 3.3147(16) .
N43 C89 1.35(3) .
N43 N44 1.37(3) .
N44 C91 1.35(3) .
N45 N46 1.31(2) .
N45 C93 1.35(3) .
N46 C95 1.34(3) .
N47 C85 1.39(3) .
N47 N48 1.42(3) .
N48 C87 1.34(3) .
C85 C86 1.25(3) .
C86 C87 1.50(4) .
C86 C88 1.50(4) .
C89 C90 1.31(3) .
C90 C91 1.35(3) .
C90 C92 1.54(3) .
C93 C94 1.43(3) .
C94 C95 1.40(3) .
C94 C96 1.52(3) .
Au25 N49 1.94(2) .
Au25 N54 1.980(18) .
Au25 Au27 3.3781(14) .
Au25 Au26 3.3782(14) .
Au26 N50 1.95(2) .
Au26 N51 1.994(19) .
Au26 Au27 3.3145(16) .
Au27 N53 1.995(18) .
Au27 N52 2.02(2) .
N49 C101 1.38(3) .
N49 N50 1.42(3) .
N50 C103 1.41(3) .
N51 N52 1.30(2) .
N51 C105 1.40(3) .
N52 C107 1.37(3) .
N53 C97 1.31(3) .
N53 N54 1.42(2) .
N54 C99 1.36(3) .
C97 C98 1.37(3) .
C98 C99 1.48(3) .
C98 C100 1.54(3) .
C101 C102 1.42(3) .
C102 C103 1.29(3) .
C102 C104 1.52(3) .
C105 C106 1.36(3) .
C106 C107 1.40(3) .
C106 C108 1.54(3) .
Au28 N55 1.99(3) .
Au28 N60 2.05(3) .
Au28 Au30 3.3641(18) .
Au28 Au29 3.3724(16) .
Au29 N56 2.00(2) .
Au29 N57 2.02(3) .
Au29 Au30 3.3373(18) .
Au30 N58 1.97(2) .
Au30 N59 2.05(2) .
N55 C109 1.39(4) .
N55 N56 1.40(3) .
N56 C111 1.32(3) .
N57 C113 1.34(3) .
N57 N58 1.34(3) .
N58 C115 1.37(3) .
N59 N60 1.30(3) .
N59 C117 1.36(3) .
N60 C119 1.34(3) .
C109 C110 1.42(4) .
C110 C111 1.36(3) .
C110 C112 1.54(4) .
C113 C114 1.44(4) .
C114 C115 1.35(3) .
C114 C116 1.44(3) .
C117 C118 1.29(3) .
C118 C119 1.34(3) .
C118 C120 1.55(4) .
Au31 N66 1.95(2) .
Au31 N61 1.98(2) .
Au31 Au32 3.3456(16) .
Au31 Au33 3.3683(16) .
Au32 N63 1.94(2) .
Au32 N62 1.99(2) .
Au32 Au33 3.3424(17) .
Au33 N64 2.00(2) .
Au33 N65 2.04(2) .
Au33 Au34 3.3177(17) .
N61 C121 1.36(3) .
N61 N62 1.39(3) .
N62 C123 1.32(3) .
N63 C125 1.35(3) .
N63 N64 1.36(3) .
N64 C127 1.29(3) .
N65 C129 1.28(3) .
N65 N66 1.30(3) .
N66 C131 1.37(3) .
C121 C122 1.34(4) .
C122 C123 1.30(3) .
C122 C124 1.60(4) .
C125 C126 1.38(3) .
C126 C127 1.46(4) .
C126 C128 1.50(4) .
C129 C130 1.38(3) .
C130 C131 1.35(3) .
C130 C132 1.61(4) .
Au34 N67 2.02(2) .
Au34 N72 2.08(2) .
Au34 Au36 3.3492(16) .
Au35 N68 1.93(2) .
Au35 N69 2.023(19) .
Au35 Au36 3.3715(15) .
Au36 N71 1.987(19) .
Au36 N70 2.001(18) .
N67 N68 1.34(3) .
N67 C133 1.37(3) .
N68 C135 1.43(3) .
N69 C137 1.30(3) .
N69 N70 1.35(2) .
N70 C139 1.35(3) .
N71 N72 1.32(3) .
N71 C141 1.41(3) .
N72 C143 1.28(3) .
C133 C134 1.36(3) .
C134 C135 1.40(3) .
C134 C136 1.54(3) .
C137 C138 1.35(3) .
C138 C139 1.43(3) .
C138 C140 1.52(3) .
C141 C142 1.41(3) .
C142 C143 1.37(3) .
C142 C144 1.51(3) .
Au37 N74 2.000(16) .
Au37 N78 2.067(19) .
Au37 Au39 3.353(2) .
Au37 Au38 3.364(2) .
Au38 N73 1.982(16) .
Au38 N76 1.982(17) .
Au38 Au39 3.343(3) .
Au39 N75 1.963(17) .
Au39 N77 2.01(2) .
N73 C147 1.4200 .
N73 N74 1.4200 .
N74 C145 1.4200 .
C145 C146 1.4200 .
C146 C148 1.35(4) .
C146 C147 1.4200 .
N75 N76 1.4200 .
N75 C151 1.4200 .
N76 C149 1.4200 .
C149 C150 1.4200 .
C150 C151 1.4200 .
C150 C152 1.48(3) .
N77 N78 1.4200 .
N77 C155 1.4200 .
N78 C153 1.4200 .
C153 C154 1.4200 .
C154 C155 1.4200 .
C154 C156 1.52(5) .
Au40 N79 1.91(2) .
Au40 N84 2.00(2) .
Au40 Au41 3.3636(16) .
Au40 Au42 3.3689(16) .
Au41 N80 1.971(18) .
Au41 N81 2.02(2) .
Au41 Au42 3.3523(15) .
Au42 N82 1.99(2) .
Au42 N83 2.023(19) .
N79 C157 1.32(3) .
N79 N80 1.40(3) .
N80 C159 1.36(3) .
N81 N82 1.35(2) .
N81 C161 1.39(3) .
N82 C163 1.34(3) .
N83 C165 1.26(3) .
N83 N84 1.33(3) .
N84 C167 1.31(3) .
C157 C158 1.37(3) .
C158 C159 1.40(3) .
C158 C160 1.55(4) .
C161 C162 1.32(3) .
C162 C163 1.43(3) .
C162 C164 1.48(3) .
C165 C166 1.45(3) .
C166 C167 1.45(3) .
C166 C168 1.50(3) .
Au43 N90 1.96(2) .
Au43 N85 2.00(2) .
Au43 Au45 3.3587(16) .
Au43 Au44 3.3698(15) .
Au44 N87 2.00(2) .
Au44 N86 2.02(2) .
Au44 Au45 3.3587(17) .
Au45 N88 1.98(2) .
Au45 N89 2.02(2) .
N85 C177 1.24(3) .
N85 N86 1.32(3) .
N86 C179 1.38(3) .
N87 C169 1.30(3) .
N87 N88 1.33(3) .
N88 C171 1.34(3) .
N89 N90 1.37(3) .
N89 C173 1.37(3) .
N90 C175 1.37(3) .
C169 C170 1.42(3) .
C170 C171 1.35(3) .
C170 C172 1.48(3) .
C173 C174 1.37(3) .
C174 C175 1.35(3) .
C174 C176 1.45(4) .
C177 C178 1.43(3) .
C178 C179 1.39(3) .
C178 C180 1.53(3) .
C181 Cl1 1.65(4) .
C181 Cl2 1.81(4) .
C182 C184 1.84(4) .
C182 C185 2.00(6) .
C183 C184 0.93(4) .
C183 C185 1.71(6) .
C184 C185 1.68(6) .
C185 C186 1.51(6) .
C185 C187 1.93(6) .
C186 C187 1.04(4) .
C193 O1 1.74(4) .
