#------------------------------------------------------------------------------
#$Date: 2016-03-22 21:51:41 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179026 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/24/4122425.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_4122425
loop_
_publ_author_name
'Zeng, Chenjie'
'Liu, Chong'
'Chen, Yuxiang'
'Rosi, Nathaniel L.'
'Jin, Rongchao'
_publ_section_title
;
 Gold-Thiolate Ring as a Protecting Motif in the Au20(SR)16 Nanocluster
 and Implications.
;
_journal_issue                   34
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11922
_journal_paper_doi               10.1021/ja506802n
_journal_volume                  136
_journal_year                    2014
_chemical_formula_sum            'C160 H208 Au20 S16'
_chemical_formula_weight         6583.55
_chemical_name_common            Au20(SPhBu-t)16
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           17
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c 2'
_symmetry_space_group_name_H-M   'P 2 2 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   27.6200(9)
_cell_length_b                   29.0891(8)
_cell_length_c                   27.3169(8)
_cell_measurement_reflns_used    4810
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      42.058
_cell_measurement_theta_min      2.206
_cell_volume                     21947.5(11)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II'
_computing_data_reduction        'Bruker APEX II'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'APEX II CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'IMuS micro-focus source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.2197
_diffrn_reflns_av_sigmaI/netI    0.1132
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            138466
_diffrn_reflns_theta_full        44.18
_diffrn_reflns_theta_max         44.18
_diffrn_reflns_theta_min         1.52
_exptl_absorpt_coefficient_mu    26.099
_exptl_absorpt_correction_T_max  0.6234
_exptl_absorpt_correction_T_min  0.1027
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.992
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             12016
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.302
_refine_diff_density_min         -1.069
_refine_diff_density_rms         0.243
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.36(5)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.011
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     930
_refine_ls_number_reflns         16991
_refine_ls_number_restraints     1066
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.1303
_refine_ls_R_factor_gt           0.0568
_refine_ls_shift/su_max          0.044
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0552P)²+650.2000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1663
_reflns_number_gt                9638
_reflns_number_total             16991
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja506802n_si_002.cif
_cod_data_source_block           lcau20_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'multi scan'
changed to 'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4122425.cif.
;
_cod_original_sg_symbol_H-M      P222(1)
_cod_database_code               4122425
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, -z+1/2'
'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 0.0000 1.0966(4) 0.2500 0.069 Uani 1 2 d SU
Au2 Au 0.0129(3) 1.0672(3) 0.3773(3) 0.063 Uani 1 1 d U
Au3 Au 0.0421(3) 0.9776(3) 0.3364(2) 0.056 Uani 1 1 d U
Au4 Au 0.0513(2) 0.8727(3) 0.3619(3) 0.062 Uani 1 1 d U
Au5 Au 0.0000 0.9540(4) 0.2500 0.058 Uani 1 2 d SU
Au6 Au 0.0451(3) 1.0159(3) 0.1914(3) 0.063 Uani 1 1 d U
Au7 Au 0.0000 0.8560(4) 0.2500 0.058 Uani 1 2 d SU
Au8 Au 0.0642(3) 0.8156(3) 0.1498(3) 0.066 Uani 1 1 d U
Au9 Au 0.0000 0.7526(4) 0.2500 0.062 Uani 1 2 d SU
Au10 Au 0.5000 0.5952(4) 0.2500 0.064 Uani 1 2 d SU
Au11 Au 0.4866(3) 0.5675(3) 0.3769(3) 0.067 Uani 1 1 d U
Au12 Au 0.3765(3) 0.5220(3) 0.2782(3) 0.064 Uani 1 1 d U
Au13 Au 0.4551(3) 0.5160(3) 0.1919(3) 0.058 Uani 1 1 d U
Au14 Au 0.5000 0.4536(4) 0.2500 0.055 Uani 1 2 d SU
Au15 Au 0.4485(2) 0.3715(3) 0.3617(2) 0.059 Uani 1 1 d U
Au16 Au 0.5382(3) 0.4257(3) 0.3360(2) 0.057 Uani 1 1 d U
Au17 Au 0.5000 0.3565(4) 0.2500 0.057 Uani 1 2 d SU
Au18 Au 0.5000 0.2540(4) 0.2500 0.067 Uani 1 2 d SU
Au19 Au 0.5645(3) 0.3163(3) 0.3498(3) 0.065 Uani 1 1 d U
Au20 Au 0.4995(3) 0.4553(3) 0.4368(2) 0.063 Uani 1 1 d U
Au21 Au 0.4577(3) 0.4773(3) 0.3356(2) 0.058 Uani 1 1 d U
Au22 Au 0.1232(3) 1.0233(3) 0.2785(3) 0.065 Uani 1 1 d U
Au23 Au 0.0007(3) 0.9549(3) 0.4365(3) 0.061 Uani 1 1 d U
Au24 Au 0.0381(3) 0.9254(3) 0.1629(3) 0.059 Uani 1 1 d U
S1 S 0.4790(11) 0.3795(11) 0.4374(10) 0.062(6) Uani 1 1 d U
S2 S 0.5459(12) 0.2403(9) 0.3211(12) 0.059(5) Uani 1 1 d U
S3 S 0.4232(11) 0.3629(12) 0.2849(9) 0.058(4) Uani 1 1 d U
S4 S 0.5150(12) 0.5327(14) 0.4454(12) 0.064(4) Uani 1 1 d U
S5 S 0.4507(11) 0.6060(11) 0.3158(12) 0.059(5) Uani 1 1 d U
S6 S 0.3776(13) 0.5446(15) 0.1971(14) 0.070(5) Uani 1 1 d U
S7 S 0.5920(13) 0.3845(13) 0.3833(14) 0.065(5) Uani 1 1 d U
S8 S 0.3771(12) 0.5016(12) 0.3580(12) 0.064(4) Uani 1 1 d U
S9 S 0.1255(13) 1.0450(15) 0.1993(14) 0.070(5) Uani 1 1 d U
S10 S 0.0530(14) 1.1092(12) 0.3156(12) 0.079(7) Uani 1 1 d U
S11 S -0.0168(12) 1.0318(13) 0.4469(12) 0.062(4) Uani 1 1 d U
S12 S 0.1212(12) 0.9959(11) 0.3598(12) 0.062(3) Uani 1 1 d U
S13 S 0.0795(10) 0.8659(13) 0.2797(11) 0.058(3) Uani 1 1 d U
S14 S 0.0941(12) 0.8807(13) 0.1157(13) 0.062(4) Uani 1 1 d U
S15 S 0.0424(13) 0.7485(9) 0.1800(12) 0.066(6) Uani 1 1 d U
S16 S 0.0203(12) 0.8756(11) 0.4435(10) 0.066(6) Uani 1 1 d U
C1 C 0.3926(3) 0.3088(2) 0.2773(3) 0.053(10) Uani 1 1 d GU
C2 C 0.3625(4) 0.3038(3) 0.2370(4) 0.063(4) Uani 1 1 d GU
H2A H 0.3561 0.3294 0.2163 0.076 Uiso 1 1 calc R
C3 C 0.3416(4) 0.2614(3) 0.2268(4) 0.062(6) Uani 1 1 d GU
H3A H 0.3210 0.2579 0.1992 0.075 Uiso 1 1 calc R
C4 C 0.3509(4) 0.2240(2) 0.2571(4) 0.064(6) Uani 1 1 d GU
C5 C 0.3810(4) 0.2290(2) 0.2974(4) 0.060(13) Uani 1 1 d GU
H5A H 0.3874 0.2034 0.3181 0.071 Uiso 1 1 calc R
C6 C 0.4019(4) 0.2714(2) 0.3076(4) 0.062(5) Uani 1 1 d GU
H6A H 0.4225 0.2748 0.3352 0.074 Uiso 1 1 calc R
C7 C 0.5758(4) 0.5446(3) 0.4445(5) 0.064(4) Uani 1 1 d GU
C8 C 0.6087(3) 0.5119(3) 0.4281(5) 0.063(4) Uani 1 1 d GU
H8A H 0.5975 0.4830 0.4164 0.076 Uiso 1 1 calc R
C9 C 0.6580(3) 0.5215(3) 0.4288(6) 0.062(6) Uani 1 1 d GU
H9A H 0.6805 0.4991 0.4176 0.075 Uiso 1 1 calc R
C10 C 0.6744(4) 0.5637(3) 0.4459(6) 0.064(6) Uani 1 1 d GDU
C11 C 0.6414(4) 0.5964(3) 0.4623(6) 0.072(7) Uani 1 1 d GU
H11A H 0.6526 0.6252 0.4740 0.087 Uiso 1 1 calc R
C12 C 0.5921(4) 0.5868(3) 0.4616(5) 0.062(5) Uani 1 1 d GU
H12A H 0.5696 0.6092 0.4728 0.074 Uiso 1 1 calc R
C13 C 0.3413(3) 0.4475(2) 0.3615(3) 0.066(11) Uani 1 1 d GU
C14 C 0.3436(3) 0.4265(2) 0.4072(3) 0.062(11) Uani 1 1 d GU
H14A H 0.3592 0.4417 0.4336 0.074 Uiso 1 1 calc R
C15 C 0.3231(3) 0.3834(2) 0.4142(3) 0.060(10) Uani 1 1 d GU
H15A H 0.3247 0.3691 0.4454 0.073 Uiso 1 1 calc R
C16 C 0.3003(3) 0.3612(2) 0.3755(3) 0.058(11) Uani 1 1 d GU
C17 C 0.2980(3) 0.3821(2) 0.3298(3) 0.064(11) Uani 1 1 d GU
H17A H 0.2824 0.3669 0.3033 0.076 Uiso 1 1 calc R
C18 C 0.3185(3) 0.4252(2) 0.3228(3) 0.062(11) Uani 1 1 d GU
H18A H 0.3169 0.4395 0.2916 0.075 Uiso 1 1 calc R
C19 C 0.5055(4) 0.2141(3) 0.3625(4) 0.054(9) Uani 1 1 d GU
C20 C 0.4860(4) 0.2367(3) 0.4027(4) 0.060(12) Uani 1 1 d GU
H20A H 0.4952 0.2675 0.4096 0.071 Uiso 1 1 calc R
C21 C 0.4532(4) 0.2143(3) 0.4329(4) 0.068(13) Uani 1 1 d GU
H21A H 0.4399 0.2297 0.4605 0.082 Uiso 1 1 calc R
C22 C 0.4398(4) 0.1692(3) 0.4229(4) 0.054(12) Uani 1 1 d GU
C23 C 0.4592(4) 0.1465(2) 0.3826(5) 0.056(11) Uani 1 1 d GU
H23A H 0.4501 0.1157 0.3758 0.067 Uiso 1 1 calc R
C24 C 0.4921(4) 0.1690(3) 0.3524(4) 0.062(11) Uani 1 1 d GU
H24A H 0.5054 0.1535 0.3249 0.075 Uiso 1 1 calc R
C31 C 0.1543(4) 0.8916(3) 0.1402(3) 0.063(6) Uani 1 1 d GU
C32 C 0.1591(4) 0.9286(3) 0.1721(3) 0.074(11) Uani 1 1 d GU
H32A H 0.1311 0.9439 0.1840 0.088 Uiso 1 1 calc R
C33 C 0.2048(3) 0.9432(3) 0.1864(3) 0.071(12) Uani 1 1 d GU
H33A H 0.2081 0.9685 0.2082 0.085 Uiso 1 1 calc R
C34 C 0.2458(4) 0.9208(3) 0.1690(3) 0.063(13) Uani 1 1 d GU
C35 C 0.2410(4) 0.8838(3) 0.1372(3) 0.070(12) Uani 1 1 d GU
H35A H 0.2690 0.8685 0.1252 0.084 Uiso 1 1 calc R
C36 C 0.1952(4) 0.8692(3) 0.1228(3) 0.068(11) Uani 1 1 d GU
H36A H 0.1919 0.8439 0.1010 0.081 Uiso 1 1 calc R
C37 C 0.0458(4) 1.1653(2) 0.3289(5) 0.064(4) Uani 1 1 d GU
C38 C 0.0395(5) 1.1778(2) 0.3776(5) 0.063(4) Uani 1 1 d GU
H38A H 0.0373 1.1548 0.4022 0.076 Uiso 1 1 calc R
C39 C 0.0366(5) 1.2240(2) 0.3903(5) 0.085(11) Uani 1 1 d GU
H39A H 0.0323 1.2325 0.4236 0.101 Uiso 1 1 calc R
C40 C 0.0399(5) 1.2576(2) 0.3544(5) 0.099(14) Uani 1 1 d GU
C41 C 0.0462(5) 1.2451(2) 0.3057(5) 0.100(14) Uani 1 1 d GU
H41A H 0.0485 1.2681 0.2811 0.120 Uiso 1 1 calc R
C42 C 0.0492(4) 1.1989(2) 0.2930(5) 0.080(11) Uani 1 1 d GU
H42A H 0.0535 1.1904 0.2597 0.096 Uiso 1 1 calc R
C43 C 0.0679(4) 0.8707(3) 0.4854(3) 0.058(10) Uani 1 1 d GU
C44 C 0.0841(4) 0.8260(3) 0.4930(3) 0.062(11) Uani 1 1 d GU
H44A H 0.0718 0.8016 0.4736 0.074 Uiso 1 1 calc R
C45 C 0.1184(5) 0.8171(3) 0.5290(3) 0.060(10) Uani 1 1 d GU
H45A H 0.1295 0.7866 0.5342 0.072 Uiso 1 1 calc R
C46 C 0.1364(5) 0.8529(3) 0.5574(3) 0.061(11) Uani 1 1 d GU
C47 C 0.1202(5) 0.8976(3) 0.5498(3) 0.072(7) Uani 1 1 d GU
H47A H 0.1325 0.9220 0.5692 0.087 Uiso 1 1 calc R
C48 C 0.0859(5) 0.9064(3) 0.5138(3) 0.063(11) Uani 1 1 d GU
H48A H 0.0748 0.9370 0.5086 0.075 Uiso 1 1 calc R
C49 C 0.1525(4) 0.9437(2) 0.3661(3) 0.054(9) Uani 1 1 d GU
C50 C 0.1722(3) 0.9233(2) 0.3246(3) 0.063(4) Uani 1 1 d GU
H50A H 0.1658 0.9360 0.2932 0.076 Uiso 1 1 calc R
C51 C 0.2011(3) 0.8845(2) 0.3290(3) 0.064(10) Uani 1 1 d GU
H51A H 0.2146 0.8706 0.3006 0.076 Uiso 1 1 calc R
C52 C 0.2104(3) 0.8660(2) 0.3749(3) 0.064(6) Uani 1 1 d GU
C53 C 0.1908(4) 0.8863(2) 0.4165(3) 0.061(10) Uani 1 1 d GU
H53A H 0.1971 0.8736 0.4479 0.073 Uiso 1 1 calc R
C54 C 0.1618(4) 0.9251(2) 0.4121(3) 0.064(10) Uani 1 1 d GU
H54A H 0.1484 0.9390 0.4405 0.077 Uiso 1 1 calc R
C55 C 0.0012(3) 0.7171(3) 0.1411(4) 0.063(6) Uani 1 1 d GU
C56 C -0.0174(4) 0.7356(3) 0.0981(4) 0.070(13) Uani 1 1 d GU
H56A H -0.0070 0.7650 0.0873 0.084 Uiso 1 1 calc R
C57 C -0.0513(4) 0.7111(4) 0.0710(5) 0.073(13) Uani 1 1 d GU
H57A H -0.0640 0.7238 0.0417 0.088 Uiso 1 1 calc R
C58 C -0.0666(4) 0.6681(3) 0.0869(5) 0.077(14) Uani 1 1 d GU
C59 C -0.0479(4) 0.6496(3) 0.1299(5) 0.075(12) Uani 1 1 d GU
H59A H -0.0584 0.6202 0.1407 0.090 Uiso 1 1 calc R
C60 C -0.0140(3) 0.6741(3) 0.1569(4) 0.082(12) Uani 1 1 d GU
H60A H -0.0013 0.6614 0.1863 0.099 Uiso 1 1 calc R
C67 C 0.1240(4) 1.1030(3) 0.1983(4) 0.071(14) Uani 1 1 d GU
C68 C 0.1053(4) 1.1259(3) 0.1578(4) 0.092(16) Uani 1 1 d GU
H68A H 0.0872 1.1095 0.1340 0.110 Uiso 1 1 calc R
C69 C 0.1131(4) 1.1728(3) 0.1522(5) 0.097(16) Uani 1 1 d GU
H69A H 0.1004 1.1884 0.1245 0.117 Uiso 1 1 calc R
C70 C 0.1397(4) 1.1968(3) 0.1870(5) 0.100(16) Uani 1 1 d GU
C71 C 0.1584(4) 1.1740(2) 0.2275(5) 0.089(15) Uani 1 1 d GU
H71A H 0.1765 1.1904 0.2513 0.106 Uiso 1 1 calc R
C72 C 0.1505(4) 1.1271(2) 0.2331(5) 0.086(15) Uani 1 1 d GU
H72A H 0.1633 1.1115 0.2608 0.103 Uiso 1 1 calc R
C73 C 0.4269(4) 0.3735(3) 0.4823(3) 0.052(10) Uani 1 1 d GU
C74 C 0.4052(4) 0.3307(3) 0.4875(3) 0.051(10) Uani 1 1 d GU
H74A H 0.4159 0.3055 0.4682 0.061 Uiso 1 1 calc R
C75 C 0.3678(5) 0.3248(3) 0.5209(3) 0.048(10) Uani 1 1 d GU
H75A H 0.3529 0.2955 0.5245 0.058 Uiso 1 1 calc R
C76 C 0.3521(5) 0.3616(3) 0.5492(3) 0.038(11) Uani 1 1 d GU
C77 C 0.3738(5) 0.4044(3) 0.5440(3) 0.055(11) Uani 1 1 d GU
H77A H 0.3631 0.4296 0.5633 0.066 Uiso 1 1 calc R
C78 C 0.4112(4) 0.4104(3) 0.5105(3) 0.055(12) Uani 1 1 d GU
H78A H 0.4261 0.4397 0.5069 0.067 Uiso 1 1 calc R
C85 C 0.1091(3) 0.8139(2) 0.2756(3) 0.059(10) Uani 1 1 d GU
C86 C 0.1430(3) 0.8077(2) 0.2386(2) 0.059(10) Uani 1 1 d GU
H86A H 0.1513 0.8326 0.2178 0.071 Uiso 1 1 calc R
C87 C 0.1648(3) 0.7651(2) 0.2322(2) 0.066(11) Uani 1 1 d GU
H87A H 0.1880 0.7608 0.2069 0.080 Uiso 1 1 calc R
C88 C 0.1527(3) 0.7286(2) 0.2627(2) 0.063(12) Uani 1 1 d GU
C89 C 0.1188(3) 0.7348(2) 0.2997(3) 0.064(13) Uani 1 1 d GU
H89A H 0.1105 0.7099 0.3206 0.077 Uiso 1 1 calc R
C90 C 0.0970(3) 0.7775(2) 0.3062(3) 0.055(10) Uani 1 1 d GU
H90A H 0.0738 0.7817 0.3314 0.066 Uiso 1 1 calc R
C61 C -0.0785(6) 1.0391(6) 0.4546(7) 0.073(8) Uani 1 1 d GU
C62 C -0.0913(6) 1.0797(7) 0.4781(7) 0.085(11) Uani 1 1 d GU
H62A H -0.0677 1.0965 0.4959 0.101 Uiso 1 1 calc R
C63 C -0.1387(6) 1.0956(7) 0.4756(8) 0.103(14) Uani 1 1 d GU
H63A H -0.1475 1.1233 0.4917 0.124 Uiso 1 1 calc R
C64 C -0.1733(6) 1.0709(7) 0.4496(8) 0.107(13) Uani 1 1 d GU
C65 C -0.1605(6) 1.0304(7) 0.4261(8) 0.089(12) Uani 1 1 d GU
H65A H -0.1841 1.0135 0.4083 0.106 Uiso 1 1 calc R
C66 C -0.1131(6) 1.0145(6) 0.4285(7) 0.062(5) Uani 1 1 d GU
H66A H -0.1043 0.9867 0.4124 0.074 Uiso 1 1 calc R
C137 C -0.2296(6) 1.0832(7) 0.4435(9) 0.16(6) Uiso 1 1 d GU
C138 C -0.2358(7) 1.1355(7) 0.4682(9) 0.33(6) Uiso 1 1 d GU
H13A H -0.2696 1.1453 0.4657 0.488 Uiso 1 1 calc R
H13B H -0.2151 1.1574 0.4505 0.488 Uiso 1 1 calc R
H13C H -0.2262 1.1345 0.5027 0.488 Uiso 1 1 calc R
C139 C -0.2590(6) 1.0528(7) 0.4709(9) 0.22(5) Uiso 1 1 d GU
H13D H -0.2562 1.0217 0.4574 0.325 Uiso 1 1 calc R
H13E H -0.2928 1.0629 0.4692 0.325 Uiso 1 1 calc R
H13F H -0.2483 1.0527 0.5051 0.325 Uiso 1 1 calc R
C140 C -0.2463(6) 1.0750(7) 0.3908(9) 0.13(3) Uiso 1 1 d GU
H14B H -0.2403 1.0429 0.3819 0.189 Uiso 1 1 calc R
H14C H -0.2282 1.0953 0.3687 0.189 Uiso 1 1 calc R
H14D H -0.2810 1.0817 0.3882 0.189 Uiso 1 1 calc R
C91 C 0.6476(6) 0.4000(6) 0.3584(7) 0.080(11) Uani 1 1 d GU
C92 C 0.6833(6) 0.3810(6) 0.3879(8) 0.088(13) Uani 1 1 d GU
H92A H 0.6746 0.3629 0.4155 0.106 Uiso 1 1 calc R
C93 C 0.7319(6) 0.3885(7) 0.3770(7) 0.102(14) Uani 1 1 d GU
H93A H 0.7563 0.3755 0.3971 0.123 Uiso 1 1 calc R
C94 C 0.7446(5) 0.4149(6) 0.3366(7) 0.102(16) Uani 1 1 d GU
C95 C 0.7088(5) 0.4340(6) 0.3072(7) 0.098(14) Uani 1 1 d GU
H95A H 0.7175 0.4520 0.2796 0.117 Uiso 1 1 calc R
C96 C 0.6603(5) 0.4265(6) 0.3180(7) 0.096(13) Uani 1 1 d GU
H96A H 0.6358 0.4395 0.2979 0.115 Uiso 1 1 calc R
C125 C 0.7983(5) 0.4281(7) 0.3189(8) 0.15(6) Uiso 1 1 d GU
C126 C 0.8351(6) 0.3970(7) 0.3545(8) 0.21(5) Uiso 1 1 d GDU
H12B H 0.8689 0.4033 0.3456 0.308 Uiso 1 1 calc R
H12C H 0.8283 0.3642 0.3498 0.308 Uiso 1 1 calc R
H12D H 0.8298 0.4052 0.3889 0.308 Uiso 1 1 calc R
C127 C 0.8086(5) 0.4749(7) 0.3280(8) 0.17(4) Uiso 1 1 d GDU
H12E H 0.7875 0.4942 0.3077 0.261 Uiso 1 1 calc R
H12F H 0.8425 0.4812 0.3199 0.261 Uiso 1 1 calc R
H12G H 0.8028 0.4818 0.3626 0.261 Uiso 1 1 calc R
C128 C 0.8026(5) 0.4242(7) 0.2633(8) 0.17(4) Uiso 1 1 d GDU
H12H H 0.7787 0.4444 0.2478 0.253 Uiso 1 1 calc R
H12I H 0.7967 0.3924 0.2533 0.253 Uiso 1 1 calc R
H12J H 0.8352 0.4335 0.2532 0.253 Uiso 1 1 calc R
C25 C 0.3760(5) 0.6077(6) 0.1958(6) 0.080(16) Uani 1 1 d GU
C26 C 0.3437(5) 0.6294(6) 0.2272(5) 0.074(14) Uani 1 1 d GU
H26A H 0.3294 0.6127 0.2534 0.088 Uiso 1 1 calc R
C27 C 0.3324(5) 0.6755(6) 0.2204(5) 0.085(15) Uani 1 1 d GU
H27A H 0.3103 0.6903 0.2419 0.102 Uiso 1 1 calc R
C28 C 0.3535(6) 0.6999(7) 0.1822(4) 0.109(18) Uani 1 1 d GU
C29 C 0.3858(6) 0.6782(8) 0.1508(5) 0.121(18) Uani 1 1 d GU
H29A H 0.4001 0.6949 0.1247 0.145 Uiso 1 1 calc R
C30 C 0.3971(6) 0.6321(7) 0.1576(5) 0.113(18) Uani 1 1 d GU
H30A H 0.4191 0.6172 0.1361 0.135 Uiso 1 1 calc R
C157 C 0.3442(6) 0.7527(7) 0.1679(5) 0.33(12) Uiso 1 1 d GU
C158 C 0.3103(6) 0.7737(6) 0.2135(5) 0.24(5) Uiso 1 1 d GU
H15B H 0.3032 0.8062 0.2072 0.365 Uiso 1 1 calc R
H15C H 0.3280 0.7709 0.2445 0.365 Uiso 1 1 calc R
H15D H 0.2800 0.7564 0.2156 0.365 Uiso 1 1 calc R
C159 C 0.3167(7) 0.7564(8) 0.1245(4) 0.30(8) Uiso 1 1 d GU
H15E H 0.3355 0.7443 0.0969 0.449 Uiso 1 1 calc R
H15F H 0.3088 0.7887 0.1185 0.449 Uiso 1 1 calc R
H15G H 0.2867 0.7387 0.1279 0.449 Uiso 1 1 calc R
C160 C 0.3917(7) 0.7766(7) 0.1548(6) 0.49(16) Uiso 1 1 d GU
H16A H 0.4072 0.7602 0.1276 0.741 Uiso 1 1 calc R
H16B H 0.4133 0.7764 0.1832 0.741 Uiso 1 1 calc R
H16C H 0.3852 0.8084 0.1450 0.741 Uiso 1 1 calc R
C79 C 0.4680(4) 0.6682(5) 0.3257(5) 0.102(13) Uani 1 1 d GU
C80 C 0.4787(4) 0.6833(5) 0.3728(5) 0.096(13) Uani 1 1 d GU
H80A H 0.4877 0.6618 0.3973 0.115 Uiso 1 1 calc R
C81 C 0.4761(4) 0.7298(5) 0.3839(6) 0.097(14) Uani 1 1 d GU
H81A H 0.4835 0.7401 0.4161 0.116 Uiso 1 1 calc R
C82 C 0.4629(4) 0.7613(5) 0.3481(7) 0.107(16) Uani 1 1 d GU
C83 C 0.4522(4) 0.7462(5) 0.3010(6) 0.117(16) Uani 1 1 d GU
H83A H 0.4432 0.7677 0.2765 0.141 Uiso 1 1 calc R
C84 C 0.4547(4) 0.6997(5) 0.2898(5) 0.115(15) Uani 1 1 d GU
H84A H 0.4474 0.6894 0.2577 0.138 Uiso 1 1 calc R
C149 C 0.4570(4) 0.8158(5) 0.3542(8) 0.13(4) Uiso 1 1 d GU
C150 C 0.4779(5) 0.8274(6) 0.4104(9) 0.33(6) Uiso 1 1 d GU
H15H H 0.4754 0.8604 0.4167 0.488 Uiso 1 1 calc R
H15I H 0.5119 0.8179 0.4127 0.488 Uiso 1 1 calc R
H15J H 0.4587 0.8105 0.4346 0.488 Uiso 1 1 calc R
C151 C 0.4078(4) 0.8290(5) 0.3531(7) 0.25(7) Uiso 1 1 d GU
H15K H 0.3943 0.8227 0.3206 0.368 Uiso 1 1 calc R
H15L H 0.4051 0.8619 0.3602 0.368 Uiso 1 1 calc R
H15M H 0.3897 0.8115 0.3777 0.368 Uiso 1 1 calc R
C152 C 0.4786(5) 0.8412(5) 0.3103(9) 0.09(2) Uiso 1 1 d GU
H15N H 0.4627 0.8307 0.2802 0.137 Uiso 1 1 calc R
H15O H 0.5134 0.8347 0.3083 0.137 Uiso 1 1 calc R
H15P H 0.4736 0.8743 0.3142 0.137 Uiso 1 1 calc R
C97 C 0.2721(19) 0.311(2) 0.3864(19) 0.035(16) Uiso 1 1 d U
C98 C 0.236(2) 0.321(3) 0.423(3) 0.10(3) Uiso 1 1 d U
H98A H 0.2196 0.2931 0.4331 0.149 Uiso 1 1 calc R
H98B H 0.2125 0.3429 0.4094 0.149 Uiso 1 1 calc R
H98C H 0.2519 0.3353 0.4516 0.149 Uiso 1 1 calc R
C99 C 0.307(2) 0.286(3) 0.411(3) 0.09(3) Uiso 1 1 d U
H99A H 0.2952 0.2556 0.4193 0.130 Uiso 1 1 calc R
H99B H 0.3155 0.3025 0.4418 0.130 Uiso 1 1 calc R
H99C H 0.3364 0.2837 0.3910 0.130 Uiso 1 1 calc R
C100 C 0.256(2) 0.291(2) 0.342(2) 0.08(2) Uiso 1 1 d U
H10A H 0.2423 0.2602 0.3480 0.123 Uiso 1 1 calc R
H10B H 0.2834 0.2878 0.3190 0.123 Uiso 1 1 calc R
H10C H 0.2312 0.3104 0.3268 0.123 Uiso 1 1 calc R
C101 C 0.401(2) 0.131(3) 0.450(2) 0.06(2) Uiso 1 1 d U
C102 C 0.380(3) 0.165(3) 0.498(3) 0.12(3) Uiso 1 1 d U
H10D H 0.3563 0.1483 0.5175 0.179 Uiso 1 1 calc R
H10E H 0.3648 0.1932 0.4848 0.179 Uiso 1 1 calc R
H10F H 0.4074 0.1742 0.5189 0.179 Uiso 1 1 calc R
C103 C 0.4251(16) 0.0999(18) 0.4750(18) 0.041(14) Uiso 1 1 d U
H10G H 0.4400 0.0782 0.4521 0.062 Uiso 1 1 calc R
H10H H 0.4032 0.0834 0.4970 0.062 Uiso 1 1 calc R
H10I H 0.4505 0.1150 0.4943 0.062 Uiso 1 1 calc R
C104 C 0.3642(19) 0.113(2) 0.4167(19) 0.062(18) Uiso 1 1 d U
H10J H 0.3802 0.0946 0.3913 0.092 Uiso 1 1 calc R
H10K H 0.3466 0.1385 0.4013 0.092 Uiso 1 1 calc R
H10L H 0.3414 0.0937 0.4348 0.092 Uiso 1 1 calc R
C105 C 0.328(2) 0.183(2) 0.248(2) 0.06(2) Uiso 1 1 d U
C106 C 0.298(2) 0.159(2) 0.288(2) 0.061(19) Uiso 1 1 d U
H10M H 0.2713 0.1789 0.2981 0.092 Uiso 1 1 calc R
H10N H 0.3186 0.1516 0.3155 0.092 Uiso 1 1 calc R
H10O H 0.2842 0.1302 0.2742 0.092 Uiso 1 1 calc R
C107 C 0.368(2) 0.142(2) 0.238(2) 0.08(2) Uiso 1 1 d U
H10P H 0.3886 0.1384 0.2672 0.121 Uiso 1 1 calc R
H10Q H 0.3880 0.1495 0.2098 0.121 Uiso 1 1 calc R
H10R H 0.3510 0.1126 0.2320 0.121 Uiso 1 1 calc R
C108 C 0.311(2) 0.171(2) 0.194(2) 0.07(2) Uiso 1 1 d U
H10S H 0.2837 0.1897 0.1850 0.108 Uiso 1 1 calc R
H10T H 0.3021 0.1381 0.1929 0.108 Uiso 1 1 calc R
H10U H 0.3383 0.1761 0.1716 0.108 Uiso 1 1 calc R
C109 C 0.0375(15) 1.310(2) 0.364(2) 0.11(3) Uiso 1 1 d DU
C110 C 0.0046(18) 1.3270(16) 0.4032(17) 0.060(15) Uiso 1 1 d DU
H11B H 0.0066 1.3606 0.4051 0.090 Uiso 1 1 calc R
H11C H 0.0142 1.3136 0.4346 0.090 Uiso 1 1 calc R
H11D H -0.0287 1.3179 0.3955 0.090 Uiso 1 1 calc R
C111 C 0.008(3) 1.342(3) 0.335(3) 0.19(4) Uiso 1 1 d DU
H11E H 0.0113 1.3736 0.3472 0.285 Uiso 1 1 calc R
H11F H -0.0265 1.3331 0.3366 0.285 Uiso 1 1 calc R
H11G H 0.0182 1.3411 0.3004 0.285 Uiso 1 1 calc R
C112 C 0.0881(17) 1.3262(19) 0.373(2) 0.074(19) Uiso 1 1 d DU
H11H H 0.0881 1.3593 0.3791 0.112 Uiso 1 1 calc R
H11I H 0.1077 1.3198 0.3434 0.112 Uiso 1 1 calc R
H11J H 0.1018 1.3099 0.4008 0.112 Uiso 1 1 calc R
C113 C 0.176(3) 0.843(2) 0.591(2) 0.09(3) Uiso 1 1 d DU
C114 C 0.221(3) 0.824(3) 0.571(3) 0.13(4) Uiso 1 1 d U
H11K H 0.2429 0.8159 0.5974 0.200 Uiso 1 1 calc R
H11L H 0.2362 0.8460 0.5489 0.200 Uiso 1 1 calc R
H11M H 0.2133 0.7956 0.5520 0.200 Uiso 1 1 calc R
C115 C 0.1641(18) 0.8036(17) 0.6248(17) 0.038(15) Uiso 1 1 d DU
H11N H 0.1916 0.7977 0.6465 0.057 Uiso 1 1 calc R
H11O H 0.1571 0.7760 0.6056 0.057 Uiso 1 1 calc R
H11P H 0.1356 0.8118 0.6444 0.057 Uiso 1 1 calc R
C116 C 0.183(2) 0.882(2) 0.626(2) 0.072(19) Uiso 1 1 d U
H11Q H 0.2083 0.8744 0.6500 0.108 Uiso 1 1 calc R
H11R H 0.1527 0.8884 0.6434 0.108 Uiso 1 1 calc R
H11S H 0.1930 0.9101 0.6082 0.108 Uiso 1 1 calc R
C117 C 0.2985(19) 0.938(3) 0.186(2) 0.07(3) Uiso 1 1 d U
C118 C 0.3102(16) 0.9039(19) 0.2266(17) 0.053(14) Uiso 1 1 d U
H11T H 0.3423 0.9108 0.2401 0.080 Uiso 1 1 calc R
H11U H 0.3101 0.8727 0.2132 0.080 Uiso 1 1 calc R
H11V H 0.2859 0.9063 0.2526 0.080 Uiso 1 1 calc R
C119 C 0.330(2) 0.923(3) 0.141(2) 0.10(2) Uiso 1 1 d U
H11W H 0.3639 0.9321 0.1471 0.153 Uiso 1 1 calc R
H11X H 0.3182 0.9379 0.1117 0.153 Uiso 1 1 calc R
H11Y H 0.3284 0.8896 0.1375 0.153 Uiso 1 1 calc R
C120 C 0.2965(17) 0.9863(18) 0.2003(19) 0.067(16) Uiso 1 1 d U
H12K H 0.3288 0.9966 0.2103 0.101 Uiso 1 1 calc R
H12L H 0.2739 0.9901 0.2276 0.101 Uiso 1 1 calc R
H12M H 0.2855 1.0047 0.1724 0.101 Uiso 1 1 calc R
C121 C -0.145(3) 0.637(3) 0.086(3) 0.16(4) Uiso 1 1 d U
H12N H -0.1570 0.6654 0.1012 0.234 Uiso 1 1 calc R
H12O H -0.1328 0.6162 0.1108 0.234 Uiso 1 1 calc R
H12P H -0.1715 0.6224 0.0677 0.234 Uiso 1 1 calc R
C122 C -0.131(2) 0.676(2) 0.020(3) 0.09(2) Uiso 1 1 d U
H12Q H -0.1506 0.6963 0.0403 0.137 Uiso 1 1 calc R
H12R H -0.1531 0.6555 0.0012 0.137 Uiso 1 1 calc R
H12S H -0.1118 0.6939 -0.0032 0.137 Uiso 1 1 calc R
C123 C -0.070(3) 0.619(3) 0.007(3) 0.17(4) Uiso 1 1 d U
H12T H -0.0485 0.6396 -0.0109 0.256 Uiso 1 1 calc R
H12U H -0.0925 0.6040 -0.0153 0.256 Uiso 1 1 calc R
H12V H -0.0509 0.5959 0.0246 0.256 Uiso 1 1 calc R
C124 C -0.102(3) 0.650(3) 0.048(3) 0.07(3) Uiso 1 1 d U
C133 C 0.7263(11) 0.5884(15) 0.4426(16) 0.16(7) Uiso 1 1 d DU
C134 C 0.729(2) 0.6324(19) 0.409(2) 0.12(2) Uiso 1 1 d DU
H13G H 0.7625 0.6439 0.4080 0.175 Uiso 1 1 calc R
H13H H 0.7077 0.6563 0.4215 0.175 Uiso 1 1 calc R
H13I H 0.7191 0.6242 0.3754 0.175 Uiso 1 1 calc R
C135 C 0.764(3) 0.553(2) 0.420(2) 0.20(4) Uiso 1 1 d DU
H13J H 0.7956 0.5673 0.4176 0.298 Uiso 1 1 calc R
H13K H 0.7527 0.5436 0.3874 0.298 Uiso 1 1 calc R
H13L H 0.7657 0.5258 0.4412 0.298 Uiso 1 1 calc R
C136 C 0.7491(19) 0.6033(19) 0.4934(17) 0.09(2) Uiso 1 1 d DU
H13M H 0.7811 0.6169 0.4879 0.140 Uiso 1 1 calc R
H13N H 0.7524 0.5762 0.5146 0.140 Uiso 1 1 calc R
H13O H 0.7280 0.6259 0.5093 0.140 Uiso 1 1 calc R
C129 C 0.1481(18) 1.2521(18) 0.179(2) 0.059(19) Uiso 1 1 d U
C130 C 0.1089(19) 1.277(2) 0.163(2) 0.10(3) Uiso 1 1 d DU
H13P H 0.1179 1.3095 0.1602 0.155 Uiso 1 1 calc R
H13Q H 0.0820 1.2737 0.1859 0.155 Uiso 1 1 calc R
H13R H 0.0991 1.2655 0.1306 0.155 Uiso 1 1 calc R
C131 C 0.185(3) 1.261(3) 0.155(3) 0.17(4) Uiso 1 1 d DU
H13S H 0.1885 1.2940 0.1511 0.262 Uiso 1 1 calc R
H13T H 0.1819 1.2465 0.1223 0.262 Uiso 1 1 calc R
H13U H 0.2136 1.2482 0.1714 0.262 Uiso 1 1 calc R
C132 C 0.156(3) 1.280(3) 0.226(3) 0.21(4) Uiso 1 1 d DU
H13V H 0.1603 1.3121 0.2172 0.317 Uiso 1 1 calc R
H13W H 0.1856 1.2684 0.2420 0.317 Uiso 1 1 calc R
H13X H 0.1285 1.2759 0.2474 0.317 Uiso 1 1 calc R
C141 C 0.312(2) 0.355(2) 0.589(2) 0.04(2) Uiso 1 1 d U
C142 C 0.2958(18) 0.3955(17) 0.6130(18) 0.053(16) Uiso 1 1 d U
H14E H 0.2921 0.4202 0.5889 0.079 Uiso 1 1 calc R
H14F H 0.3196 0.4048 0.6378 0.079 Uiso 1 1 calc R
H14G H 0.2646 0.3896 0.6288 0.079 Uiso 1 1 calc R
C143 C 0.321(3) 0.318(3) 0.627(3) 0.13(3) Uiso 1 1 d U
H14H H 0.2941 0.3176 0.6505 0.193 Uiso 1 1 calc R
H14I H 0.3512 0.3254 0.6449 0.193 Uiso 1 1 calc R
H14J H 0.3243 0.2883 0.6113 0.193 Uiso 1 1 calc R
C144 C 0.2699(17) 0.3366(19) 0.5604(18) 0.030(15) Uiso 1 1 d U
H14K H 0.2623 0.3578 0.5337 0.045 Uiso 1 1 calc R
H14L H 0.2418 0.3335 0.5819 0.045 Uiso 1 1 calc R
H14M H 0.2783 0.3064 0.5468 0.045 Uiso 1 1 calc R
C145 C 0.236(2) 0.827(2) 0.376(2) 0.07(2) Uiso 1 1 d U
C146 C 0.2609(19) 0.808(2) 0.3256(18) 0.063(17) Uiso 1 1 d U
H14N H 0.2832 0.8314 0.3126 0.094 Uiso 1 1 calc R
H14O H 0.2356 0.8019 0.3014 0.094 Uiso 1 1 calc R
H14P H 0.2788 0.7799 0.3327 0.094 Uiso 1 1 calc R
C147 C 0.202(3) 0.782(2) 0.394(2) 0.08(2) Uiso 1 1 d U
H14Q H 0.1865 0.7896 0.4251 0.113 Uiso 1 1 calc R
H14R H 0.2230 0.7553 0.3980 0.113 Uiso 1 1 calc R
H14S H 0.1775 0.7759 0.3691 0.113 Uiso 1 1 calc R
C148 C 0.2810(18) 0.829(2) 0.4117(19) 0.048(17) Uiso 1 1 d U
H14T H 0.2700 0.8376 0.4446 0.072 Uiso 1 1 calc R
H14U H 0.3040 0.8527 0.4000 0.072 Uiso 1 1 calc R
H14V H 0.2969 0.7994 0.4126 0.072 Uiso 1 1 calc R
C153 C 0.165(3) 0.667(3) 0.251(3) 0.07(3) Uiso 1 1 d U
C154 C 0.217(3) 0.675(3) 0.285(3) 0.14(4) Uiso 1 1 d U
H15Q H 0.2343 0.6455 0.2865 0.216 Uiso 1 1 calc R
H15R H 0.2078 0.6846 0.3179 0.216 Uiso 1 1 calc R
H15S H 0.2370 0.6981 0.2693 0.216 Uiso 1 1 calc R
C155 C 0.203(3) 0.675(3) 0.202(3) 0.09(3) Uiso 1 1 d U
H15T H 0.2134 0.6453 0.1892 0.142 Uiso 1 1 calc R
H15U H 0.2313 0.6928 0.2125 0.142 Uiso 1 1 calc R
H15V H 0.1861 0.6922 0.1759 0.142 Uiso 1 1 calc R
C156 C 0.127(3) 0.637(3) 0.259(3) 0.13(3) Uiso 1 1 d U
H15W H 0.1377 0.6053 0.2510 0.192 Uiso 1 1 calc R
H15X H 0.0991 0.6448 0.2390 0.192 Uiso 1 1 calc R
H15Y H 0.1180 0.6378 0.2939 0.192 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'
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'
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
S10 Au1 S10 162.1(18) . 3
S10 Au1 Au6 105.2(10) . .
S10 Au1 Au6 88.5(9) 3 .
S10 Au1 Au6 88.5(9) . 3
S10 Au1 Au6 105.2(10) 3 3
Au6 Au1 Au6 81.6(4) . 3
S11 Au2 S10 170.1(13) . .
S11 Au2 Au6 96.2(10) . 3
S10 Au2 Au6 93.6(9) . 3
S11 Au2 Au3 90.9(9) . .
S10 Au2 Au3 93.4(10) . .
Au6 Au2 Au3 56.5(3) 3 .
S12 Au3 Au24 153.9(8) . 3
S12 Au3 Au5 134.0(9) . .
Au24 Au3 Au5 60.7(2) 3 .
S12 Au3 Au6 143.0(9) . 3
Au24 Au3 Au6 60.7(3) 3 3
Au5 Au3 Au6 59.3(3) . 3
S12 Au3 Au2 87.1(9) . .
Au24 Au3 Au2 105.7(3) 3 .
Au5 Au3 Au2 115.8(3) . .
Au6 Au3 Au2 60.6(3) 3 .
S12 Au3 Au23 98.9(8) . .
Au24 Au3 Au23 63.9(3) 3 .
Au5 Au3 Au23 124.4(3) . .
Au6 Au3 Au23 90.4(3) 3 .
Au2 Au3 Au23 75.4(3) . .
S12 Au3 Au22 49.9(8) . .
Au24 Au3 Au22 148.9(3) 3 .
Au5 Au3 Au22 88.5(3) . .
Au6 Au3 Au22 108.8(3) 3 .
Au2 Au3 Au22 90.7(3) . .
Au23 Au3 Au22 147.1(3) . .
S12 Au3 Au4 94.9(8) . .
Au24 Au3 Au4 61.0(3) 3 .
Au5 Au3 Au4 88.9(3) . .
Au6 Au3 Au4 121.6(3) 3 .
Au2 Au3 Au4 142.8(3) . .
Au23 Au3 Au4 67.6(2) . .
Au22 Au3 Au4 118.7(3) . .
S13 Au4 S16 176.8(13) . .
S13 Au4 Au24 95.7(8) . 3
S16 Au4 Au24 84.1(7) . 3
S13 Au4 Au3 84.1(9) . .
S16 Au4 Au3 98.3(8) . .
Au24 Au4 Au3 51.9(2) 3 .
Au6 Au5 Au6 96.7(5) . 3
Au6 Au5 Au3 61.1(3) . 3
Au6 Au5 Au3 98.5(3) 3 3
Au6 Au5 Au3 98.5(3) . .
Au6 Au5 Au3 61.1(3) 3 .
Au3 Au5 Au3 150.7(6) 3 .
Au6 Au5 Au24 153.2(4) . 3
Au6 Au5 Au24 60.7(2) 3 3
Au3 Au5 Au24 131.9(2) 3 3
Au3 Au5 Au24 59.0(2) . 3
Au6 Au5 Au24 60.7(2) . .
Au6 Au5 Au24 153.2(4) 3 .
Au3 Au5 Au24 59.0(2) 3 .
Au3 Au5 Au24 131.9(2) . .
Au24 Au5 Au24 144.6(6) 3 .
Au6 Au5 Au7 131.6(3) . .
Au6 Au5 Au7 131.6(3) 3 .
Au3 Au5 Au7 104.6(3) 3 .
Au3 Au5 Au7 104.6(3) . .
Au24 Au5 Au7 72.3(3) 3 .
Au24 Au5 Au7 72.3(3) . .
S9 Au6 Au5 127.5(10) . .
S9 Au6 Au24 115.4(11) . .
Au5 Au6 Au24 60.0(3) . .
S9 Au6 Au3 168.5(10) . 3
Au5 Au6 Au3 59.6(2) . 3
Au24 Au6 Au3 58.3(3) . 3
S9 Au6 Au2 113.1(11) . 3
Au5 Au6 Au2 118.2(3) . 3
Au24 Au6 Au2 105.8(3) . 3
Au3 Au6 Au2 63.0(3) 3 3
S9 Au6 Au1 93.4(11) . .
Au5 Au6 Au1 90.8(3) . .
Au24 Au6 Au1 147.3(3) . .
Au3 Au6 Au1 95.6(3) 3 .
Au2 Au6 Au1 73.8(3) 3 .
S9 Au6 Au22 44.4(9) . .
Au5 Au6 Au22 85.2(2) . .
Au24 Au6 Au22 108.6(3) . .
Au3 Au6 Au22 144.6(3) 3 .
Au2 Au6 Au22 145.0(4) 3 .
Au1 Au6 Au22 80.6(2) . .
S13 Au7 S13 165.9(19) 3 .
S13 Au7 Au5 83.0(9) 3 .
S13 Au7 Au5 83.0(9) . .
S13 Au7 Au9 97.0(9) 3 .
S13 Au7 Au9 97.0(9) . .
Au5 Au7 Au9 180.000(2) . .
S13 Au7 Au24 82.9(8) 3 3
S13 Au7 Au24 88.5(8) . 3
Au5 Au7 Au24 52.2(2) . 3
Au9 Au7 Au24 127.8(2) . 3
S13 Au7 Au24 88.5(8) 3 .
S13 Au7 Au24 82.9(8) . .
Au5 Au7 Au24 52.2(2) . .
Au9 Au7 Au24 127.8(2) . .
Au24 Au7 Au24 104.4(4) 3 .
S15 Au8 S14 173.6(12) . .
S15 Au8 Au24 139.4(8) . .
S14 Au8 Au24 46.7(8) . .
S15 Au9 S15 173.9(14) . 3
S15 Au9 Au7 93.1(7) . .
S15 Au9 Au7 93.1(7) 3 .
S5 Au10 S5 164.1(18) 3_655 .
S5 Au10 Au13 105.7(9) 3_655 3_655
S5 Au10 Au13 86.4(8) . 3_655
S5 Au10 Au13 86.4(8) 3_655 .
S5 Au10 Au13 105.7(9) . .
Au13 Au10 Au13 82.4(4) 3_655 .
S5 Au11 S4 172.2(13) . .
S5 Au11 Au13 91.2(9) . 3_655
S4 Au11 Au13 96.4(9) . 3_655
S5 Au11 Au21 92.2(9) . .
S4 Au11 Au21 90.7(10) . .
Au13 Au11 Au21 56.2(2) 3_655 .
S8 Au12 S6 178.3(16) . .
S8 Au12 Au21 51.9(8) . .
S6 Au12 Au21 127.5(9) . .
S8 Au12 Au13 133.6(9) . .
S6 Au12 Au13 45.8(9) . .
Au21 Au12 Au13 81.7(3) . .
S6 Au13 Au14 129.2(10) . .
S6 Au13 Au16 115.3(11) . 3_655
Au14 Au13 Au16 59.4(3) . 3_655
S6 Au13 Au21 167.3(10) . 3_655
Au14 Au13 Au21 59.2(2) . 3_655
Au16 Au13 Au21 58.4(3) 3_655 3_655
S6 Au13 Au11 111.7(11) . 3_655
Au14 Au13 Au11 118.2(3) . 3_655
Au16 Au13 Au11 106.1(3) 3_655 3_655
Au21 Au13 Au11 63.2(3) 3_655 3_655
S6 Au13 Au10 94.1(11) . .
Au14 Au13 Au10 90.8(3) . .
Au16 Au13 Au10 147.0(3) 3_655 .
Au21 Au13 Au10 95.4(3) 3_655 .
Au11 Au13 Au10 73.8(2) 3_655 .
S6 Au13 Au12 46.1(10) . .
Au14 Au13 Au12 85.2(2) . .
Au16 Au13 Au12 107.6(3) 3_655 .
Au21 Au13 Au12 144.2(3) 3_655 .
Au11 Au13 Au12 145.6(4) 3_655 .
Au10 Au13 Au12 81.4(2) . .
Au16 Au14 Au16 145.0(6) 3_655 .
Au16 Au14 Au21 131.3(2) 3_655 .
Au16 Au14 Au21 59.6(2) . .
Au16 Au14 Au21 59.6(2) 3_655 3_655
Au16 Au14 Au21 131.3(2) . 3_655
Au21 Au14 Au21 150.4(6) . 3_655
Au16 Au14 Au13 152.8(4) 3_655 3_655
Au16 Au14 Au13 60.8(2) . 3_655
Au21 Au14 Au13 61.4(3) . 3_655
Au21 Au14 Au13 97.9(3) 3_655 3_655
Au16 Au14 Au13 60.9(2) 3_655 .
Au16 Au14 Au13 152.8(4) . .
Au21 Au14 Au13 97.9(3) . .
Au21 Au14 Au13 61.4(3) 3_655 .
Au13 Au14 Au13 96.0(5) 3_655 .
Au16 Au14 Au17 72.5(3) 3_655 .
Au16 Au14 Au17 72.5(3) . .
Au21 Au14 Au17 104.8(3) . .
Au21 Au14 Au17 104.8(3) 3_655 .
Au13 Au14 Au17 132.0(2) 3_655 .
Au13 Au14 Au17 132.0(2) . .
S3 Au15 S1 176.2(12) . .
S3 Au15 Au16 95.6(8) . .
S1 Au15 Au16 81.4(8) . .
S3 Au15 Au21 85.6(10) . .
S1 Au15 Au21 94.4(8) . .
Au16 Au15 Au21 51.3(2) . .
S7 Au16 Au21 145.9(10) . .
S7 Au16 Au14 153.6(11) . .
Au21 Au16 Au14 60.2(2) . .
S7 Au16 Au13 127.7(10) . 3_655
Au21 Au16 Au13 61.2(3) . 3_655
Au14 Au16 Au13 59.7(3) . 3_655
S7 Au16 Au15 97.4(10) . .
Au21 Au16 Au15 67.2(3) . .
Au14 Au16 Au15 92.2(3) . .
Au13 Au16 Au15 128.3(3) 3_655 .
S7 Au16 Au20 82.4(10) . .
Au21 Au16 Au20 63.9(3) . .
Au14 Au16 Au20 124.0(3) . .
Au13 Au16 Au20 90.3(3) 3_655 .
Au15 Au16 Au20 69.7(2) . .
S7 Au16 Au17 106.9(10) . .
Au21 Au16 Au17 94.2(3) . .
Au14 Au16 Au17 55.5(3) . .
Au13 Au16 Au17 114.3(3) 3_655 .
Au15 Au16 Au17 65.2(2) . .
Au20 Au16 Au17 134.7(3) . .
S7 Au16 Au19 44.8(10) . .
Au21 Au16 Au19 136.5(3) . .
Au14 Au16 Au19 118.5(4) . .
Au13 Au16 Au19 160.9(3) 3_655 .
Au15 Au16 Au19 69.5(2) . .
Au20 Au16 Au19 104.2(3) . .
Au17 Au16 Au19 63.7(3) . .
S3 Au17 S3 170.8(19) 3_655 .
S3 Au17 Au14 85.4(9) 3_655 .
S3 Au17 Au14 85.4(9) . .
S3 Au17 Au18 94.6(9) 3_655 .
S3 Au17 Au18 94.6(9) . .
Au14 Au17 Au18 180.000(1) . .
S3 Au17 Au16 87.2(8) 3_655 3_655
S3 Au17 Au16 87.2(8) . 3_655
Au14 Au17 Au16 52.0(2) . 3_655
Au18 Au17 Au16 128.0(2) . 3_655
S3 Au17 Au16 87.2(8) 3_655 .
S3 Au17 Au16 87.2(8) . .
Au14 Au17 Au16 52.0(2) . .
Au18 Au17 Au16 128.0(2) . .
Au16 Au17 Au16 104.0(4) 3_655 .
S2 Au18 S2 160.6(13) . 3_655
S2 Au18 Au17 99.7(7) . .
S2 Au18 Au17 99.7(7) 3_655 .
S7 Au19 S2 171.5(11) . .
S7 Au19 Au16 44.5(8) . .
S2 Au19 Au16 143.8(8) . .
S1 Au20 S4 172.8(12) . .
S1 Au20 Au21 96.6(7) . .
S4 Au20 Au21 87.5(9) . .
S1 Au20 Au16 79.7(8) . .
S4 Au20 Au16 107.4(9) . .
Au21 Au20 Au16 51.8(2) . .
S8 Au21 Au16 157.9(8) . .
S8 Au21 Au14 133.9(8) . .
Au16 Au21 Au14 60.2(2) . .
S8 Au21 Au13 139.0(9) . 3_655
Au16 Au21 Au13 60.4(3) . 3_655
Au14 Au21 Au13 59.5(3) . 3_655
S8 Au21 Au11 83.9(9) . .
Au16 Au21 Au11 105.7(3) . .
Au14 Au21 Au11 116.0(4) . .
Au13 Au21 Au11 60.6(3) 3_655 .
S8 Au21 Au12 47.5(8) . .
Au16 Au21 Au12 148.9(3) . .
Au14 Au21 Au12 89.0(3) . .
Au13 Au21 Au12 109.3(3) 3_655 .
Au11 Au21 Au12 90.9(3) . .
S8 Au21 Au20 100.3(8) . .
Au16 Au21 Au20 64.3(3) . .
Au14 Au21 Au20 124.3(3) . .
Au13 Au21 Au20 90.1(3) 3_655 .
Au11 Au21 Au20 74.9(3) . .
Au12 Au21 Au20 146.7(3) . .
S8 Au21 Au15 98.8(8) . .
Au16 Au21 Au15 61.4(2) . .
Au14 Au21 Au15 88.9(3) . .
Au13 Au21 Au15 121.8(3) 3_655 .
Au11 Au21 Au15 142.6(3) . .
Au12 Au21 Au15 118.3(3) . .
Au20 Au21 Au15 67.9(2) . .
S9 Au22 S12 176.6(15) . .
S9 Au22 Au3 129.9(10) . .
S12 Au22 Au3 49.3(8) . .
S9 Au22 Au6 47.8(9) . .
S12 Au22 Au6 131.1(8) . .
Au3 Au22 Au6 82.1(3) . .
S11 Au23 S16 168.2(11) . .
S11 Au23 Au3 88.8(9) . .
S16 Au23 Au3 101.4(7) . .
S11 Au23 Au24 108.1(9) . 3
S16 Au23 Au24 83.0(8) . 3
Au3 Au23 Au24 52.5(2) . 3
S14 Au24 Au3 147.5(10) . 3
S14 Au24 Au5 151.9(10) . .
Au3 Au24 Au5 60.3(2) 3 .
S14 Au24 Au6 128.8(10) . .
Au3 Au24 Au6 61.0(3) 3 .
Au5 Au24 Au6 59.3(3) . .
S14 Au24 Au4 97.6(9) . 3
Au3 Au24 Au4 67.0(3) 3 3
Au5 Au24 Au4 92.0(3) . 3
Au6 Au24 Au4 127.9(3) . 3
S14 Au24 Au23 84.3(9) . 3
Au3 Au24 Au23 63.7(3) 3 3
Au5 Au24 Au23 123.8(3) . 3
Au6 Au24 Au23 90.4(3) . 3
Au4 Au24 Au23 69.6(2) 3 3
S14 Au24 Au8 43.5(10) . .
Au3 Au24 Au8 136.8(3) 3 .
Au5 Au24 Au8 118.3(4) . .
Au6 Au24 Au8 160.6(3) . .
Au4 Au24 Au8 70.0(3) 3 .
Au23 Au24 Au8 104.7(3) 3 .
S14 Au24 Au7 105.2(10) . .
Au3 Au24 Au7 94.4(3) 3 .
Au5 Au24 Au7 55.5(3) . .
Au6 Au24 Au7 113.8(3) . .
Au4 Au24 Au7 65.4(2) 3 .
Au23 Au24 Au7 134.8(3) 3 .
Au8 Au24 Au7 63.5(3) . .
C73 S1 Au15 107.4(14) . .
C73 S1 Au20 106.3(15) . .
Au15 S1 Au20 100.7(10) . .
C19 S2 Au18 105.2(15) . .
C19 S2 Au19 109.0(15) . .
Au18 S2 Au19 103.3(10) . .
C1 S3 Au15 110.8(15) . .
C1 S3 Au17 108.1(16) . .
Au15 S3 Au17 96.3(12) . .
C7 S4 Au11 103.7(17) . .
C7 S4 Au20 112.2(18) . .
Au11 S4 Au20 106.8(14) . .
C79 S5 Au11 105.1(15) . .
C79 S5 Au10 95.4(15) . .
Au11 S5 Au10 104.7(12) . .
C25 S6 Au13 113(2) . .
C25 S6 Au12 107.5(19) . .
Au13 S6 Au12 88.2(13) . .
C91 S7 Au16 102.4(17) . .
C91 S7 Au19 111(2) . .
Au16 S7 Au19 90.7(13) . .
C13 S8 Au12 105.5(16) . .
C13 S8 Au21 104.8(14) . .
Au12 S8 Au21 80.7(11) . .
C67 S9 Au22 107(2) . .
C67 S9 Au6 109(2) . .
Au22 S9 Au6 87.8(13) . .
C37 S10 Au1 104.0(18) . .
C37 S10 Au2 107.0(18) . .
Au1 S10 Au2 100.0(14) . .
C61 S11 Au23 110(2) . .
C61 S11 Au2 113.2(16) . .
Au23 S11 Au2 104.8(14) . .
C49 S12 Au3 106.8(16) . .
C49 S12 Au22 111.8(17) . .
Au3 S12 Au22 80.8(10) . .
C85 S13 Au7 108.2(17) . .
C85 S13 Au4 106.8(15) . .
Au7 S13 Au4 91.7(10) . .
C31 S14 Au8 109.1(18) . .
C31 S14 Au24 107.2(16) . .
Au8 S14 Au24 89.8(12) . .
C55 S15 Au8 113.6(17) . .
C55 S15 Au9 101.5(15) . .
Au8 S15 Au9 114.5(11) . .
C43 S16 Au23 107.7(17) . .
C43 S16 Au4 109.8(15) . .
Au23 S16 Au4 92.4(9) . .
C2 C1 C6 120.0 . .
C2 C1 S3 117.7(9) . .
C6 C1 S3 122.0(10) . .
C1 C2 C3 120.0 . .
C1 C2 H2A 120.0 . .
C3 C2 H2A 120.0 . .
C4 C3 C2 120.0 . .
C4 C3 H3A 120.0 . .
C2 C3 H3A 120.0 . .
C105 C4 C5 121(3) . .
C105 C4 C3 119(3) . .
C5 C4 C3 120.0 . .
C6 C5 C4 120.0 . .
C6 C5 H5A 120.0 . .
C4 C5 H5A 120.0 . .
C5 C6 C1 120.0 . .
C5 C6 H6A 120.0 . .
C1 C6 H6A 120.0 . .
C8 C7 C12 120.0 . .
C8 C7 S4 120.5(13) . .
C12 C7 S4 119.5(13) . .
C7 C8 C9 120.0 . .
C7 C8 H8A 120.0 . .
C9 C8 H8A 120.0 . .
C10 C9 C8 120.0 . .
C10 C9 H9A 120.0 . .
C8 C9 H9A 120.0 . .
C9 C10 C11 120.0 . .
C9 C10 C133 131.8(18) . .
C11 C10 C133 107.2(18) . .
C12 C11 C10 120.0 . .
C12 C11 H11A 120.0 . .
C10 C11 H11A 120.0 . .
C11 C12 C7 120.0 . .
C11 C12 H12A 120.0 . .
C7 C12 H12A 120.0 . .
C14 C13 C18 120.0 . .
C14 C13 S8 113.0(10) . .
C18 C13 S8 126.6(10) . .
C15 C14 C13 120.0 . .
C15 C14 H14A 120.0 . .
C13 C14 H14A 120.0 . .
C14 C15 C16 120.0 . .
C14 C15 H15A 120.0 . .
C16 C15 H15A 120.0 . .
C17 C16 C15 120.0 . .
C17 C16 C97 121.3(18) . .
C15 C16 C97 118.6(18) . .
C16 C17 C18 120.0 . .
C16 C17 H17A 120.0 . .
C18 C17 H17A 120.0 . .
C17 C18 C13 120.0 . .
C17 C18 H18A 120.0 . .
C13 C18 H18A 120.0 . .
C20 C19 C24 120.0 . .
C20 C19 S2 123.2(10) . .
C24 C19 S2 116.8(10) . .
C19 C20 C21 120.0 . .
C19 C20 H20A 120.0 . .
C21 C20 H20A 120.0 . .
C22 C21 C20 120.0 . .
C22 C21 H21A 120.0 . .
C20 C21 H21A 120.0 . .
C23 C22 C21 120.0 . .
C23 C22 C101 107(2) . .
C21 C22 C101 133(2) . .
C22 C23 C24 120.0 . .
C22 C23 H23A 120.0 . .
C24 C23 H23A 120.0 . .
C23 C24 C19 120.0 . .
C23 C24 H24A 120.0 . .
C19 C24 H24A 120.0 . .
C32 C31 C36 120.0 . .
C32 C31 S14 116.9(11) . .
C36 C31 S14 122.3(11) . .
C33 C32 C31 120.0 . .
C33 C32 H32A 120.0 . .
C31 C32 H32A 120.0 . .
C32 C33 C34 120.0 . .
C32 C33 H33A 120.0 . .
C34 C33 H33A 120.0 . .
C33 C34 C35 120.0 . .
C33 C34 C117 119(3) . .
C35 C34 C117 121(3) . .
C36 C35 C34 120.0 . .
C36 C35 H35A 120.0 . .
C34 C35 H35A 120.0 . .
C35 C36 C31 120.0 . .
C35 C36 H36A 120.0 . .
C31 C36 H36A 120.0 . .
C38 C37 C42 120.0 . .
C38 C37 S10 118.4(12) . .
C42 C37 S10 121.5(12) . .
C39 C38 C37 120.0 . .
C39 C38 H38A 120.0 . .
C37 C38 H38A 120.0 . .
C38 C39 C40 120.0 . .
C38 C39 H39A 120.0 . .
C40 C39 H39A 120.0 . .
C41 C40 C39 120.0 . .
C41 C40 C109 115(2) . .
C39 C40 C109 125(2) . .
C42 C41 C40 120.0 . .
C42 C41 H41A 120.0 . .
C40 C41 H41A 120.0 . .
C41 C42 C37 120.0 . .
C41 C42 H42A 120.0 . .
C37 C42 H42A 120.0 . .
C44 C43 C48 120.0 . .
C44 C43 S16 114.7(11) . .
C48 C43 S16 125.0(11) . .
C45 C44 C43 120.0 . .
C45 C44 H44A 120.0 . .
C43 C44 H44A 120.0 . .
C44 C45 C46 120.0 . .
C44 C45 H45A 120.0 . .
C46 C45 H45A 120.0 . .
C47 C46 C45 120.0 . .
C47 C46 C113 122(3) . .
C45 C46 C113 118(3) . .
C48 C47 C46 120.0 . .
C48 C47 H47A 120.0 . .
C46 C47 H47A 120.0 . .
C47 C48 C43 120.0 . .
C47 C48 H48A 120.0 . .
C43 C48 H48A 120.0 . .
C50 C49 C54 120.0 . .
C50 C49 S12 118.7(11) . .
C54 C49 S12 121.0(11) . .
C49 C50 C51 120.0 . .
C49 C50 H50A 120.0 . .
C51 C50 H50A 120.0 . .
C52 C51 C50 120.0 . .
C52 C51 H51A 120.0 . .
C50 C51 H51A 120.0 . .
C145 C52 C51 116(3) . .
C145 C52 C53 124(3) . .
C51 C52 C53 120.0 . .
C52 C53 C54 120.0 . .
C52 C53 H53A 120.0 . .
C54 C53 H53A 120.0 . .
C53 C54 C49 120.0 . .
C53 C54 H54A 120.0 . .
C49 C54 H54A 120.0 . .
C56 C55 C60 120.0 . .
C56 C55 S15 122.3(10) . .
C60 C55 S15 117.6(10) . .
C55 C56 C57 120.0 . .
C55 C56 H56A 120.0 . .
C57 C56 H56A 120.0 . .
C58 C57 C56 120.0 . .
C58 C57 H57A 120.0 . .
C56 C57 H57A 120.0 . .
C57 C58 C59 120.0 . .
C57 C58 C124 107(3) . .
C59 C58 C124 133(3) . .
C60 C59 C58 120.0 . .
C60 C59 H59A 120.0 . .
C58 C59 H59A 120.0 . .
C59 C60 C55 120.0 . .
C59 C60 H60A 120.0 . .
C55 C60 H60A 120.0 . .
C68 C67 C72 120.0 . .
C68 C67 S9 120.0(13) . .
C72 C67 S9 118.6(13) . .
C69 C68 C67 120.0 . .
C69 C68 H68A 120.0 . .
C67 C68 H68A 120.0 . .
C70 C69 C68 120.0 . .
C70 C69 H69A 120.0 . .
C68 C69 H69A 120.0 . .
C71 C70 C69 120.0 . .
C71 C70 C129 121.2(18) . .
C69 C70 C129 118.8(18) . .
C70 C71 C72 120.0 . .
C70 C71 H71A 120.0 . .
C72 C71 H71A 120.0 . .
C71 C72 C67 120.0 . .
C71 C72 H72A 120.0 . .
C67 C72 H72A 120.0 . .
C74 C73 C78 120.0 . .
C74 C73 S1 118.4(10) . .
C78 C73 S1 121.6(11) . .
C75 C74 C73 120.0 . .
C75 C74 H74A 120.0 . .
C73 C74 H74A 120.0 . .
C74 C75 C76 120.0 . .
C74 C75 H75A 120.0 . .
C76 C75 H75A 120.0 . .
C77 C76 C75 120.0 . .
C77 C76 C141 119(2) . .
C75 C76 C141 121(2) . .
C76 C77 C78 120.0 . .
C76 C77 H77A 120.0 . .
C78 C77 H77A 120.0 . .
C77 C78 C73 120.0 . .
C77 C78 H78A 120.0 . .
C73 C78 H78A 120.0 . .
C86 C85 C90 120.0 . .
C86 C85 S13 118.8(10) . .
C90 C85 S13 121.1(10) . .
C85 C86 C87 120.0 . .
C85 C86 H86A 120.0 . .
C87 C86 H86A 120.0 . .
C86 C87 C88 120.0 . .
C86 C87 H87A 120.0 . .
C88 C87 H87A 120.0 . .
C89 C88 C87 120.0 . .
C89 C88 C153 112(2) . .
C87 C88 C153 126(2) . .
C88 C89 C90 120.0 . .
C88 C89 H89A 120.0 . .
C90 C89 H89A 120.0 . .
C89 C90 C85 120.0 . .
C89 C90 H90A 120.0 . .
C85 C90 H90A 120.0 . .
C66 C61 C62 120.0 . .
C66 C61 S11 123.5(14) . .
C62 C61 S11 114.2(14) . .
C63 C62 C61 120.0 . .
C63 C62 H62A 120.0 . .
C61 C62 H62A 120.0 . .
C64 C63 C62 120.0 . .
C64 C63 H63A 120.0 . .
C62 C63 H63A 120.0 . .
C65 C64 C63 120.0 . .
C65 C64 C137 112.8 . .
C63 C64 C137 127.2 . .
C64 C65 C66 120.0 . .
C64 C65 H65A 120.0 . .
C66 C65 H65A 120.0 . .
C61 C66 C65 120.0 . .
C61 C66 H66A 120.0 . .
C65 C66 H66A 120.0 . .
C139 C137 C140 103.2 . .
C139 C137 C64 111.2 . .
C140 C137 C64 110.8 . .
C139 C137 C138 107.3 . .
C140 C137 C138 119.3 . .
C64 C137 C138 105.0 . .
C137 C138 H13A 109.5 . .
C137 C138 H13B 109.5 . .
H13A C138 H13B 109.5 . .
C137 C138 H13C 109.5 . .
H13A C138 H13C 109.5 . .
H13B C138 H13C 109.5 . .
C137 C139 H13D 109.5 . .
C137 C139 H13E 109.5 . .
H13D C139 H13E 109.5 . .
C137 C139 H13F 109.5 . .
H13D C139 H13F 109.5 . .
H13E C139 H13F 109.5 . .
C137 C140 H14B 109.5 . .
C137 C140 H14C 109.5 . .
H14B C140 H14C 109.5 . .
C137 C140 H14D 109.5 . .
H14B C140 H14D 109.5 . .
H14C C140 H14D 109.5 . .
C92 C91 C96 120.0 . .
C92 C91 S7 107.3(12) . .
C96 C91 S7 132.7(12) . .
C91 C92 C93 120.0 . .
C91 C92 H92A 120.0 . .
C93 C92 H92A 120.0 . .
C94 C93 C92 120.0 . .
C94 C93 H93A 120.0 . .
C92 C93 H93A 120.0 . .
C95 C94 C93 120.0 . .
C95 C94 C125 112.8 . .
C93 C94 C125 127.2 . .
C94 C95 C96 120.0 . .
C94 C95 H95A 120.0 . .
C96 C95 H95A 120.0 . .
C91 C96 C95 120.0 . .
C91 C96 H96A 120.0 . .
C95 C96 H96A 120.0 . .
C127 C125 C128 103.2 . .
C127 C125 C94 111.3 . .
C128 C125 C94 110.8 . .
C127 C125 C126 107.3 . .
C128 C125 C126 119.3 . .
C94 C125 C126 105.0 . .
C125 C126 H12B 109.5 . .
C125 C126 H12C 109.5 . .
H12B C126 H12C 109.5 . .
C125 C126 H12D 109.5 . .
H12B C126 H12D 109.5 . .
H12C C126 H12D 109.5 . .
C125 C127 H12E 109.5 . .
C125 C127 H12F 109.5 . .
H12E C127 H12F 109.5 . .
C125 C127 H12G 109.5 . .
H12E C127 H12G 109.5 . .
H12F C127 H12G 109.5 . .
C125 C128 H12H 109.5 . .
C125 C128 H12I 109.5 . .
H12H C128 H12I 109.5 . .
C125 C128 H12J 109.5 . .
H12H C128 H12J 109.5 . .
H12I C128 H12J 109.5 . .
C26 C25 C30 120.0 . .
C26 C25 S6 117.2(13) . .
C30 C25 S6 121.0(13) . .
C25 C26 C27 120.0 . .
C25 C26 H26A 120.0 . .
C27 C26 H26A 120.0 . .
C26 C27 C28 120.0 . .
C26 C27 H27A 120.0 . .
C28 C27 H27A 120.0 . .
C29 C28 C27 120.0 . .
C29 C28 C157 112.8 . .
C27 C28 C157 127.2 . .
C30 C29 C28 120.0 . .
C30 C29 H29A 120.0 . .
C28 C29 H29A 120.0 . .
C29 C30 C25 120.0 . .
C29 C30 H30A 120.0 . .
C25 C30 H30A 120.0 . .
C159 C157 C160 103.2 . .
C159 C157 C28 111.3 . .
C160 C157 C28 110.8 . .
C159 C157 C158 107.3 . .
C160 C157 C158 119.3 . .
C28 C157 C158 105.0 . .
C157 C158 H15B 109.5 . .
C157 C158 H15C 109.5 . .
H15B C158 H15C 109.5 . .
C157 C158 H15D 109.5 . .
H15B C158 H15D 109.5 . .
H15C C158 H15D 109.5 . .
C157 C159 H15E 109.5 . .
C157 C159 H15F 109.5 . .
H15E C159 H15F 109.5 . .
C157 C159 H15G 109.5 . .
H15E C159 H15G 109.5 . .
H15F C159 H15G 109.5 . .
C157 C160 H16A 109.5 . .
C157 C160 H16B 109.5 . .
H16A C160 H16B 109.5 . .
C157 C160 H16C 109.5 . .
H16A C160 H16C 109.5 . .
H16B C160 H16C 109.5 . .
C80 C79 C84 120.0 . .
C80 C79 S5 119.2(11) . .
C84 C79 S5 117.6(10) . .
C81 C80 C79 120.0 . .
C81 C80 H80A 120.0 . .
C79 C80 H80A 120.0 . .
C80 C81 C82 120.0 . .
C80 C81 H81A 120.0 . .
C82 C81 H81A 120.0 . .
C81 C82 C83 120.0 . .
C81 C82 C149 127.2 . .
C83 C82 C149 112.8 . .
C84 C83 C82 120.0 . .
C84 C83 H83A 120.0 . .
C82 C83 H83A 120.0 . .
C83 C84 C79 120.0 . .
C83 C84 H84A 120.0 . .
C79 C84 H84A 120.0 . .
C151 C149 C152 103.2 . .
C151 C149 C82 111.3 . .
C152 C149 C82 110.8 . .
C151 C149 C150 107.3 . .
C152 C149 C150 119.3 . .
C82 C149 C150 105.0 . .
C149 C150 H15H 109.5 . .
C149 C150 H15I 109.5 . .
H15H C150 H15I 109.5 . .
C149 C150 H15J 109.5 . .
H15H C150 H15J 109.5 . .
H15I C150 H15J 109.5 . .
C149 C151 H15K 109.5 . .
C149 C151 H15L 109.5 . .
H15K C151 H15L 109.5 . .
C149 C151 H15M 109.5 . .
H15K C151 H15M 109.5 . .
H15L C151 H15M 109.5 . .
C149 C152 H15N 109.5 . .
C149 C152 H15O 109.5 . .
H15N C152 H15O 109.5 . .
C149 C152 H15P 109.5 . .
H15N C152 H15P 109.5 . .
H15O C152 H15P 109.5 . .
C99 C97 C100 116(7) . .
C99 C97 C98 105(5) . .
C100 C97 C98 118(5) . .
C99 C97 C16 102(4) . .
C100 C97 C16 110(4) . .
C98 C97 C16 105(5) . .
C97 C98 H98A 109.4 . .
C97 C98 H98B 109.5 . .
H98A C98 H98B 109.5 . .
C97 C98 H98C 109.5 . .
H98A C98 H98C 109.5 . .
H98B C98 H98C 109.5 . .
C97 C99 H99A 109.4 . .
C97 C99 H99B 109.5 . .
H99A C99 H99B 109.5 . .
C97 C99 H99C 109.4 . .
H99A C99 H99C 109.5 . .
H99B C99 H99C 109.5 . .
C97 C100 H10A 109.5 . .
C97 C100 H10B 109.5 . .
H10A C100 H10B 109.5 . .
C97 C100 H10C 109.5 . .
H10A C100 H10C 109.5 . .
H10B C100 H10C 109.5 . .
C103 C101 C104 115(7) . .
C103 C101 C22 110(5) . .
C104 C101 C22 113(5) . .
C103 C101 C102 100(5) . .
C104 C101 C102 117(5) . .
C22 C101 C102 100(5) . .
C101 C102 H10D 109.5 . .
C101 C102 H10E 109.4 . .
H10D C102 H10E 109.5 . .
C101 C102 H10F 109.5 . .
H10D C102 H10F 109.5 . .
H10E C102 H10F 109.5 . .
C101 C103 H10G 109.5 . .
C101 C103 H10H 109.5 . .
H10G C103 H10H 109.5 . .
C101 C103 H10I 109.5 . .
H10G C103 H10I 109.5 . .
H10H C103 H10I 109.5 . .
C101 C104 H10J 109.5 . .
C101 C104 H10K 109.5 . .
H10J C104 H10K 109.5 . .
C101 C104 H10L 109.5 . .
H10J C104 H10L 109.5 . .
H10K C104 H10L 109.5 . .
C4 C105 C106 121(5) . .
C4 C105 C108 120(5) . .
C106 C105 C108 113(6) . .
C4 C105 C107 110(5) . .
C106 C105 C107 98(5) . .
C108 C105 C107 83(5) . .
C105 C106 H10M 109.5 . .
C105 C106 H10N 109.5 . .
H10M C106 H10N 109.5 . .
C105 C106 H10O 109.5 . .
H10M C106 H10O 109.5 . .
H10N C106 H10O 109.5 . .
C105 C107 H10P 109.5 . .
C105 C107 H10Q 109.5 . .
H10P C107 H10Q 109.5 . .
C105 C107 H10R 109.5 . .
H10P C107 H10R 109.5 . .
H10Q C107 H10R 109.5 . .
C105 C108 H10S 109.5 . .
C105 C108 H10T 109.5 . .
H10S C108 H10T 109.5 . .
C105 C108 H10U 109.5 . .
H10S C108 H10U 109.5 . .
H10T C108 H10U 109.5 . .
C110 C109 C111 81(5) . .
C110 C109 C112 111(5) . .
C111 C109 C112 114(6) . .
C110 C109 C40 118(5) . .
C111 C109 C40 123(6) . .
C112 C109 C40 107(4) . .
C109 C110 C111 50(2) . .
C109 C110 H11B 109.5 . .
C111 C110 H11B 79.8 . .
C109 C110 H11C 109.5 . .
C111 C110 H11C 158.8 . .
H11B C110 H11C 109.5 . .
C109 C110 H11D 109.5 . .
C111 C110 H11D 83.9 . .
H11B C110 H11D 109.5 . .
H11C C110 H11D 109.5 . .
C109 C111 C110 49(3) . .
C109 C111 H11E 109.5 . .
C110 C111 H11E 82.9 . .
C109 C111 H11F 109.5 . .
C110 C111 H11F 80.9 . .
H11E C111 H11F 109.5 . .
C109 C111 H11G 109.5 . .
C110 C111 H11G 158.8 . .
H11E C111 H11G 109.5 . .
H11F C111 H11G 109.5 . .
C109 C112 H11H 109.5 . .
C109 C112 H11I 109.5 . .
H11H C112 H11I 109.5 . .
C109 C112 H11J 109.5 . .
H11H C112 H11J 109.5 . .
H11I C112 H11J 109.5 . .
C46 C113 C114 119(6) . .
C46 C113 C115 112(5) . .
C114 C113 C115 97(6) . .
C46 C113 C116 110(5) . .
C114 C113 C116 115(7) . .
C115 C113 C116 102(5) . .
C113 C114 H11K 109.5 . .
C113 C114 H11L 109.5 . .
H11K C114 H11L 109.5 . .
C113 C114 H11M 109.4 . .
H11K C114 H11M 109.5 . .
H11L C114 H11M 109.5 . .
C113 C115 H11N 109.5 . .
C113 C115 H11O 109.5 . .
H11N C115 H11O 109.5 . .
C113 C115 H11P 109.5 . .
H11N C115 H11P 109.5 . .
H11O C115 H11P 109.5 . .
C113 C116 H11Q 109.4 . .
C113 C116 H11R 109.4 . .
H11Q C116 H11R 109.5 . .
C113 C116 H11S 109.5 . .
H11Q C116 H11S 109.5 . .
H11R C116 H11S 109.5 . .
C120 C117 C118 116(5) . .
C120 C117 C119 120(5) . .
C118 C117 C119 105(5) . .
C120 C117 C34 110(4) . .
C118 C117 C34 102(4) . .
C119 C117 C34 101(5) . .
C117 C118 H11T 109.5 . .
C117 C118 H11U 109.5 . .
H11T C118 H11U 109.5 . .
C117 C118 H11V 109.5 . .
H11T C118 H11V 109.5 . .
H11U C118 H11V 109.5 . .
C117 C119 H11W 109.5 . .
C117 C119 H11X 109.5 . .
H11W C119 H11X 109.5 . .
C117 C119 H11Y 109.5 . .
H11W C119 H11Y 109.5 . .
H11X C119 H11Y 109.5 . .
C117 C120 H12K 109.5 . .
C117 C120 H12L 109.5 . .
H12K C120 H12L 109.5 . .
C117 C120 H12M 109.5 . .
H12K C120 H12M 109.5 . .
H12L C120 H12M 109.5 . .
C124 C121 H12N 109.5 . .
C124 C121 H12O 109.5 . .
H12N C121 H12O 109.5 . .
C124 C121 H12P 109.5 . .
H12N C121 H12P 109.5 . .
H12O C121 H12P 109.5 . .
C124 C122 H12Q 109.4 . .
C124 C122 H12R 109.5 . .
H12Q C122 H12R 109.5 . .
C124 C122 H12S 109.5 . .
H12Q C122 H12S 109.5 . .
H12R C122 H12S 109.5 . .
C124 C123 H12T 109.5 . .
C124 C123 H12U 109.5 . .
H12T C123 H12U 109.5 . .
C124 C123 H12V 109.5 . .
H12T C123 H12V 109.5 . .
H12U C123 H12V 109.5 . .
C122 C124 C58 126(7) . .
C122 C124 C121 93(6) . .
C58 C124 C121 96(5) . .
C122 C124 C123 103(7) . .
C58 C124 C123 108(5) . .
C121 C124 C123 133(7) . .
C134 C133 C135 105(2) . .
C134 C133 C136 106(2) . .
C135 C133 C136 105(2) . .
C134 C133 C10 116(4) . .
C135 C133 C10 108(4) . .
C136 C133 C10 115(3) . .
C133 C134 H13G 109.5 . .
C133 C134 H13H 109.5 . .
H13G C134 H13H 109.5 . .
C133 C134 H13I 109.5 . .
H13G C134 H13I 109.5 . .
H13H C134 H13I 109.5 . .
C133 C135 H13J 109.5 . .
C133 C135 H13K 109.5 . .
H13J C135 H13K 109.5 . .
C133 C135 H13L 109.5 . .
H13J C135 H13L 109.5 . .
H13K C135 H13L 109.5 . .
C133 C136 H13M 109.5 . .
C133 C136 H13N 109.5 . .
H13M C136 H13N 109.5 . .
C133 C136 H13O 109.5 . .
H13M C136 H13O 109.5 . .
H13N C136 H13O 109.5 . .
C131 C129 C130 111(6) . .
C131 C129 C132 103(5) . .
C130 C129 C132 97(5) . .
C131 C129 C70 112(6) . .
C130 C129 C70 116(4) . .
C132 C129 C70 116(5) . .
C129 C130 H13P 109.5 . .
C129 C130 H13Q 109.5 . .
H13P C130 H13Q 109.5 . .
C129 C130 H13R 109.5 . .
H13P C130 H13R 109.5 . .
H13Q C130 H13R 109.5 . .
C129 C131 H13S 109.5 . .
C129 C131 H13T 109.5 . .
H13S C131 H13T 109.5 . .
C129 C131 H13U 109.5 . .
H13S C131 H13U 109.5 . .
H13T C131 H13U 109.5 . .
C129 C132 H13V 109.5 . .
C129 C132 H13W 109.5 . .
H13V C132 H13W 109.5 . .
C129 C132 H13X 109.5 . .
H13V C132 H13X 109.5 . .
H13W C132 H13X 109.5 . .
C142 C141 C144 107(5) . .
C142 C141 C143 109(5) . .
C144 C141 C143 104(5) . .
C142 C141 C76 116(5) . .
C144 C141 C76 103(4) . .
C143 C141 C76 117(5) . .
C141 C142 H14E 109.4 . .
C141 C142 H14F 109.5 . .
H14E C142 H14F 109.5 . .
C141 C142 H14G 109.5 . .
H14E C142 H14G 109.5 . .
H14F C142 H14G 109.5 . .
C141 C143 H14H 109.4 . .
C141 C143 H14I 109.6 . .
H14H C143 H14I 109.5 . .
C141 C143 H14J 109.5 . .
H14H C143 H14J 109.5 . .
H14I C143 H14J 109.5 . .
C141 C144 H14K 109.4 . .
C141 C144 H14L 109.5 . .
H14K C144 H14L 109.5 . .
C141 C144 H14M 109.5 . .
H14K C144 H14M 109.5 . .
H14L C144 H14M 109.5 . .
C52 C145 C148 114(5) . .
C52 C145 C146 120(5) . .
C148 C145 C146 102(4) . .
C52 C145 C147 111(4) . .
C148 C145 C147 107(5) . .
C146 C145 C147 102(5) . .
C145 C146 H14N 109.5 . .
C145 C146 H14O 109.5 . .
H14N C146 H14O 109.5 . .
C145 C146 H14P 109.5 . .
H14N C146 H14P 109.5 . .
H14O C146 H14P 109.5 . .
C145 C147 H14Q 109.5 . .
C145 C147 H14R 109.4 . .
H14Q C147 H14R 109.5 . .
C145 C147 H14S 109.5 . .
H14Q C147 H14S 109.5 . .
H14R C147 H14S 109.5 . .
C145 C148 H14T 109.5 . .
C145 C148 H14U 109.5 . .
H14T C148 H14U 109.5 . .
C145 C148 H14V 109.5 . .
H14T C148 H14V 109.5 . .
H14U C148 H14V 109.5 . .
C156 C153 C155 133(7) . .
C156 C153 C154 127(7) . .
C155 C153 C154 84(5) . .
C156 C153 C88 117(6) . .
C155 C153 C88 97(5) . .
C154 C153 C88 86(5) . .
C153 C154 H15Q 109.5 . .
C153 C154 H15R 109.5 . .
H15Q C154 H15R 109.5 . .
C153 C154 H15S 109.5 . .
H15Q C154 H15S 109.5 . .
H15R C154 H15S 109.5 . .
C153 C155 H15T 109.5 . .
C153 C155 H15U 109.5 . .
H15T C155 H15U 109.5 . .
C153 C155 H15V 109.5 . .
H15T C155 H15V 109.5 . .
H15U C155 H15V 109.5 . .
C153 C156 H15W 109.4 . .
C153 C156 H15X 109.5 . .
H15W C156 H15X 109.5 . .
C153 C156 H15Y 109.5 . .
H15W C156 H15Y 109.5 . .
H15X C156 H15Y 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Au1 S10 2.34(4) .
Au1 S10 2.34(4) 3
Au1 Au6 3.102(11) .
Au1 Au6 3.102(11) 3
Au2 S11 2.31(3) .
Au2 S10 2.36(3) .
Au2 Au6 2.884(11) 3
Au2 Au3 2.949(11) .
Au3 S12 2.34(3) .
Au3 Au24 2.685(10) 3
Au3 Au5 2.720(7) .
Au3 Au6 2.761(10) 3
Au3 Au23 3.036(10) .
Au3 Au22 3.047(10) .
Au3 Au4 3.140(11) .
Au4 S13 2.39(3) .
Au4 S16 2.39(3) .
Au4 Au24 2.984(10) 3
Au5 Au6 2.713(11) .
Au5 Au6 2.713(11) 3
Au5 Au3 2.719(7) 3
Au5 Au24 2.731(8) 3
Au5 Au24 2.731(8) .
Au5 Au7 2.850(16) .
Au6 S9 2.39(4) .
Au6 Au24 2.752(12) .
Au6 Au3 2.761(10) 3
Au6 Au2 2.884(11) 3
Au6 Au22 3.219(10) .
Au7 S13 2.36(3) 3
Au7 S13 2.36(3) .
Au7 Au9 3.008(15) .
Au7 Au24 3.294(10) 3
Au7 Au24 3.294(10) .
Au8 S15 2.20(3) .
Au8 S14 2.27(4) .
Au8 Au24 3.294(11) .
Au9 S15 2.25(3) .
Au9 S15 2.25(3) 3
Au10 S5 2.28(3) 3_655
Au10 S5 2.28(3) .
Au10 Au13 3.060(11) 3_655
Au10 Au13 3.060(11) .
Au11 S5 2.24(3) .
Au11 S4 2.27(3) .
Au11 Au13 2.893(10) 3_655
Au11 Au21 2.965(11) .
Au12 S8 2.26(3) .
Au12 S6 2.31(4) .
Au12 Au21 3.028(10) .
Au12 Au13 3.210(10) .
Au13 S6 2.30(4) .
Au13 Au14 2.711(10) .
Au13 Au16 2.741(11) 3_655
Au13 Au21 2.762(10) 3_655
Au13 Au11 2.893(10) 3_655
Au14 Au16 2.702(8) 3_655
Au14 Au16 2.702(8) .
Au14 Au21 2.703(7) .
Au14 Au21 2.703(7) 3_655
Au14 Au13 2.711(10) 3_655
Au14 Au17 2.825(16) .
Au15 S3 2.22(3) .
Au15 S1 2.25(3) .
Au15 Au16 3.020(10) .
Au15 Au21 3.169(11) .
Au16 S7 2.30(3) .
Au16 Au21 2.685(10) .
Au16 Au13 2.741(11) 3_655
Au16 Au20 3.076(10) .
Au16 Au17 3.270(10) .
Au16 Au19 3.286(11) .
Au17 S3 2.33(3) 3_655
Au17 S3 2.33(3) .
Au17 Au18 2.983(15) .
Au17 Au16 3.270(10) 3_655
Au18 S2 2.35(3) .
Au18 S2 2.35(3) 3_655
Au19 S7 2.31(4) .
Au19 S2 2.40(3) .
Au20 S1 2.28(3) .
Au20 S4 2.30(4) .
Au20 Au21 3.066(10) .
Au21 S8 2.41(3) .
Au21 Au13 2.762(10) 3_655
Au22 S9 2.25(4) .
Au22 S12 2.36(3) .
Au23 S11 2.31(4) .
Au23 S16 2.38(3) .
Au23 Au24 3.041(10) 3
Au24 S14 2.40(3) .
Au24 Au3 2.686(10) 3
Au24 Au4 2.985(10) 3
Au24 Au23 3.041(10) 3
S1 C73 1.90(3) .
S2 C19 1.76(3) .
S3 C1 1.80(4) .
S4 C7 1.71(4) .
S5 C79 1.89(4) .
S6 C25 1.83(5) .
S7 C91 1.74(4) .
S8 C13 1.86(4) .
S9 C67 1.69(4) .
S10 C37 1.68(4) .
S11 C61 1.73(4) .
S12 C49 1.76(3) .
S13 C85 1.72(4) .
S14 C31 1.82(4) .
S15 C55 1.80(3) .
S16 C43 1.75(3) .
C1 C2 1.3900 .
C1 C6 1.3900 .
C2 C3 1.3900 .
C2 H2A 0.9500 .
C3 C4 1.3900 .
C3 H3A 0.9500 .
C4 C105 1.37(7) .
C4 C5 1.3900 .
C5 C6 1.3900 .
C5 H5A 0.9500 .
C6 H6A 0.9500 .
C7 C8 1.3900 .
C7 C12 1.3900 .
C8 C9 1.3900 .
C8 H8A 0.9500 .
C9 C10 1.3900 .
C9 H9A 0.9500 .
C10 C11 1.3900 .
C10 C133 1.61(2) .
C11 C12 1.3900 .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C14 1.3900 .
C13 C18 1.3900 .
C14 C15 1.3900 .
C14 H14A 0.9500 .
C15 C16 1.3900 .
C15 H15A 0.9500 .
C16 C17 1.3900 .
C16 C97 1.69(6) .
C17 C18 1.3900 .
C17 H17A 0.9500 .
C18 H18A 0.9500 .
C19 C20 1.3900 .
C19 C24 1.3900 .
C20 C21 1.3900 .
C20 H20A 0.9500 .
C21 C22 1.3900 .
C21 H21A 0.9500 .
C22 C23 1.3900 .
C22 C101 1.72(7) .
C23 C24 1.3900 .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
C31 C32 1.3900 .
C31 C36 1.3900 .
C32 C33 1.3900 .
C32 H32A 0.9500 .
C33 C34 1.3900 .
C33 H33A 0.9500 .
C34 C35 1.3900 .
C34 C117 1.61(6) .
C35 C36 1.3900 .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C37 C38 1.3900 .
C37 C42 1.3900 .
C38 C39 1.3900 .
C38 H38A 0.9500 .
C39 C40 1.3900 .
C39 H39A 0.9500 .
C40 C41 1.3900 .
C40 C109 1.55(7) .
C41 C42 1.3900 .
C41 H41A 0.9500 .
C42 H42A 0.9500 .
C43 C44 1.3900 .
C43 C48 1.3900 .
C44 C45 1.3900 .
C44 H44A 0.9500 .
C45 C46 1.3900 .
C45 H45A 0.9500 .
C46 C47 1.3900 .
C46 C113 1.45(8) .
C47 C48 1.3900 .
C47 H47A 0.9500 .
C48 H48A 0.9500 .
C49 C50 1.3900 .
C49 C54 1.3900 .
C50 C51 1.3900 .
C50 H50A 0.9500 .
C51 C52 1.3900 .
C51 H51A 0.9500 .
C52 C145 1.33(7) .
C52 C53 1.3900 .
C53 C54 1.3900 .
C53 H53A 0.9500 .
C54 H54A 0.9500 .
C55 C56 1.3900 .
C55 C60 1.3900 .
C56 C57 1.3900 .
C56 H56A 0.9500 .
C57 C58 1.3900 .
C57 H57A 0.9500 .
C58 C59 1.3900 .
C58 C124 1.53(7) .
C59 C60 1.3900 .
C59 H59A 0.9500 .
C60 H60A 0.9500 .
C67 C68 1.3900 .
C67 C72 1.3900 .
C68 C69 1.3900 .
C68 H68A 0.9500 .
C69 C70 1.3900 .
C69 H69A 0.9500 .
C70 C71 1.3900 .
C70 C129 1.64(5) .
C71 C72 1.3900 .
C71 H71A 0.9500 .
C72 H72A 0.9500 .
C73 C74 1.3900 .
C73 C78 1.3900 .
C74 C75 1.3900 .
C74 H74A 0.9500 .
C75 C76 1.3900 .
C75 H75A 0.9500 .
C76 C77 1.3900 .
C76 C141 1.57(6) .
C77 C78 1.3900 .
C77 H77A 0.9500 .
C78 H78A 0.9500 .
C85 C86 1.3900 .
C85 C90 1.3900 .
C86 C87 1.3900 .
C86 H86A 0.9500 .
C87 C88 1.3900 .
C87 H87A 0.9500 .
C88 C89 1.3900 .
C88 C153 1.85(8) .
C89 C90 1.3900 .
C89 H89A 0.9500 .
C90 H90A 0.9500 .
C61 C66 1.3899 .
C61 C62 1.3900 .
C62 C63 1.3899 .
C62 H62A 0.9500 .
C63 C64 1.3898 .
C63 H63A 0.9500 .
C64 C65 1.3897 .
C64 C137 1.6046 .
C65 C66 1.3905 .
C65 H65A 0.9500 .
C66 H66A 0.9500 .
C137 C139 1.4136 .
C137 C140 1.5293 .
C137 C138 1.6723 .
C138 H13A 0.9800 .
C138 H13B 0.9800 .
C138 H13C 0.9800 .
C139 H13D 0.9800 .
C139 H13E 0.9800 .
C139 H13F 0.9800 .
C140 H14B 0.9800 .
C140 H14C 0.9800 .
C140 H14D 0.9800 .
C91 C92 1.3896 .
C91 C96 1.3899 .
C92 C93 1.3903 .
C92 H92A 0.9500 .
C93 C94 1.3900 .
C93 H93A 0.9500 .
C94 C95 1.3896 .
C94 C125 1.6046 .
C95 C96 1.3903 .
C95 H95A 0.9500 .
C96 H96A 0.9500 .
C125 C127 1.4128 .
C125 C128 1.5293 .
C125 C126 1.6725 .
C126 H12B 0.9800 .
C126 H12C 0.9800 .
C126 H12D 0.9800 .
C127 H12E 0.9800 .
C127 H12F 0.9800 .
C127 H12G 0.9800 .
C128 H12H 0.9800 .
C128 H12I 0.9800 .
C128 H12J 0.9800 .
C25 C26 1.3899 .
C25 C30 1.3902 .
C26 C27 1.3901 .
C26 H26A 0.9500 .
C27 C28 1.3901 .
C27 H27A 0.9500 .
C28 C29 1.3899 .
C28 C157 1.6044 .
C29 C30 1.3897 .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
C157 C159 1.4132 .
C157 C160 1.5292 .
C157 C158 1.6723 .
C158 H15B 0.9800 .
C158 H15C 0.9800 .
C158 H15D 0.9800 .
C159 H15E 0.9800 .
C159 H15F 0.9800 .
C159 H15G 0.9800 .
C160 H16A 0.9800 .
C160 H16B 0.9800 .
C160 H16C 0.9800 .
C79 C80 1.3901 .
C79 C84 1.3902 .
C80 C81 1.3893 .
C80 H80A 0.9500 .
C81 C82 1.3903 .
C81 H81A 0.9500 .
C82 C83 1.3904 .
C82 C149 1.6040 .
C83 C84 1.3897 .
C83 H83A 0.9500 .
C84 H84A 0.9500 .
C149 C151 1.4134 .
C149 C152 1.5293 .
C149 C150 1.6725 .
C150 H15H 0.9800 .
C150 H15I 0.9800 .
C150 H15J 0.9800 .
C151 H15K 0.9800 .
C151 H15L 0.9800 .
C151 H15M 0.9800 .
C152 H15N 0.9800 .
C152 H15O 0.9800 .
C152 H15P 0.9800 .
C97 C99 1.38(9) .
C97 C100 1.43(7) .
C97 C98 1.45(8) .
C98 H98A 0.9800 .
C98 H98B 0.9800 .
C98 H98C 0.9800 .
C99 H99A 0.9800 .
C99 H99B 0.9800 .
C99 H99C 0.9800 .
C100 H10A 0.9800 .
C100 H10B 0.9800 .
C100 H10C 0.9800 .
C101 C103 1.32(7) .
C101 C104 1.46(7) .
C101 C102 1.73(10) .
C102 H10D 0.9800 .
C102 H10E 0.9800 .
C102 H10F 0.9800 .
C103 H10G 0.9800 .
C103 H10H 0.9800 .
C103 H10I 0.9800 .
C104 H10J 0.9800 .
C104 H10K 0.9800 .
C104 H10L 0.9800 .
C105 C106 1.54(9) .
C105 C108 1.57(9) .
C105 C107 1.66(10) .
C106 H10M 0.9800 .
C106 H10N 0.9800 .
C106 H10O 0.9800 .
C107 H10P 0.9800 .
C107 H10Q 0.9800 .
C107 H10R 0.9800 .
C108 H10S 0.9800 .
C108 H10T 0.9800 .
C108 H10U 0.9800 .
C109 C110 1.48(4) .
C109 C111 1.48(4) .
C109 C112 1.49(4) .
C110 C111 1.93(10) .
C110 H11B 0.9800 .
C110 H11C 0.9800 .
C110 H11D 0.9800 .
C111 H11E 0.9800 .
C111 H11F 0.9800 .
C111 H11G 0.9800 .
C112 H11H 0.9800 .
C112 H11I 0.9800 .
C112 H11J 0.9800 .
C113 C114 1.46(11) .
C113 C115 1.51(2) .
C113 C116 1.52(9) .
C114 H11K 0.9800 .
C114 H11L 0.9800 .
C114 H11M 0.9800 .
C115 H11N 0.9800 .
C115 H11O 0.9800 .
C115 H11P 0.9800 .
C116 H11Q 0.9800 .
C116 H11R 0.9800 .
C116 H11S 0.9800 .
C117 C120 1.46(8) .
C117 C118 1.52(7) .
C117 C119 1.57(8) .
C118 H11T 0.9800 .
C118 H11U 0.9800 .
C118 H11V 0.9800 .
C119 H11W 0.9800 .
C119 H11X 0.9800 .
C119 H11Y 0.9800 .
C120 H12K 0.9800 .
C120 H12L 0.9800 .
C120 H12M 0.9800 .
C121 C124 1.61(10) .
C121 H12N 0.9800 .
C121 H12O 0.9800 .
C121 H12P 0.9800 .
C122 C124 1.35(8) .
C122 H12Q 0.9800 .
C122 H12R 0.9800 .
C122 H12S 0.9800 .
C123 C124 1.68(11) .
C123 H12T 0.9800 .
C123 H12U 0.9800 .
C123 H12V 0.9800 .
C133 C134 1.58(4) .
C133 C135 1.58(4) .
C133 C136 1.59(4) .
C134 H13G 0.9800 .
C134 H13H 0.9800 .
C134 H13I 0.9800 .
C135 H13J 0.9800 .
C135 H13K 0.9800 .
C135 H13L 0.9800 .
C136 H13M 0.9800 .
C136 H13N 0.9800 .
C136 H13O 0.9800 .
C129 C131 1.25(9) .
C129 C130 1.38(6) .
C129 C132 1.51(8) .
C130 H13P 0.9800 .
C130 H13Q 0.9800 .
C130 H13R 0.9800 .
C131 H13S 0.9800 .
C131 H13T 0.9800 .
C131 H13U 0.9800 .
C132 H13V 0.9800 .
C132 H13W 0.9800 .
C132 H13X 0.9800 .
C141 C142 1.42(7) .
C141 C144 1.50(8) .
C141 C143 1.51(9) .
C142 H14E 0.9800 .
C142 H14F 0.9800 .
C142 H14G 0.9800 .
C143 H14H 0.9800 .
C143 H14I 0.9800 .
C143 H14J 0.9800 .
C144 H14K 0.9800 .
C144 H14L 0.9800 .
C144 H14M 0.9800 .
C145 C148 1.58(7) .
C145 C146 1.63(8) .
C145 C147 1.69(9) .
C146 H14N 0.9800 .
C146 H14O 0.9800 .
C146 H14P 0.9800 .
C147 H14Q 0.9800 .
C147 H14R 0.9800 .
C147 H14S 0.9800 .
C148 H14T 0.9800 .
C148 H14U 0.9800 .
C148 H14V 0.9800 .
C153 C156 1.39(10) .
C153 C155 1.72(10) .
C153 C154 1.73(11) .
C154 H15Q 0.9800 .
C154 H15R 0.9800 .
C154 H15S 0.9800 .
C155 H15T 0.9800 .
C155 H15U 0.9800 .
C155 H15V 0.9800 .
C156 H15W 0.9800 .
C156 H15X 0.9800 .
C156 H15Y 0.9800 .
