#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/34/7013417.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_7013417
loop_
_publ_author_name
'Fan, Daming'
'Yang, Chang-Tong'
'Ranford, John D.'
'Vittal, Jagadese J.'
'Foo Lee, Peng'
_publ_section_title
;
 Synthesis, characterization, and biological activities of
 2-phenylpyridine gold(iii) complexes with thiolate ligandsElectronic
 supplementary information (ESI) available: ESMS data. See
 http://www.rsc.org/suppdata/dt/b3/b307610e/
;
_journal_issue                   17
_journal_name_full               'Dalton Transactions'
_journal_page_first              3376
_journal_paper_doi               10.1039/b307610e
_journal_year                    2003
_chemical_formula_sum            'C14 H15 Au Cl N2 O4.5 S'
_chemical_formula_weight         547.76
_chemical_name_systematic
;
?
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.695(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.4444(1)
_cell_length_b                   10.1827(1)
_cell_length_c                   13.5174(1)
_cell_measurement_reflns_used    8192
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.46
_cell_measurement_theta_min      1.70
_cell_volume                     1653.29(3)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  'SHELXTL (Siemens, 1996)'
_computing_structure_refinement  'SHELXTL (Siemens, 1996)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.895
_diffrn_measured_fraction_theta_max 0.895
_diffrn_measurement_device       'Siemens SMART CCD System'
_diffrn_measurement_method       'frames ω 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  0.0271
_diffrn_reflns_av_sigmaI/netI    0.0666
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            10751
_diffrn_reflns_theta_full        29.46
_diffrn_reflns_theta_max         29.46
_diffrn_reflns_theta_min         1.70
_exptl_absorpt_coefficient_mu    9.210
_exptl_absorpt_correction_T_max  0.4552
_exptl_absorpt_correction_T_min  0.2552
_exptl_absorpt_correction_type   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.201
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'thin plates'
_exptl_crystal_F_000             1044
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.068
_refine_diff_density_min         -2.130
_refine_diff_density_rms         0.195
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.017(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.980
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         6919
_refine_ls_number_restraints     24
_refine_ls_restrained_S_all      0.980
_refine_ls_R_factor_all          0.0357
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0089P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0657
_refine_ls_wR_factor_ref         0.0669
_reflns_number_gt                6344
_reflns_number_total             6919
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b307610e.txt
_cod_data_source_block           jdr48
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        1653.288(17)
_cod_original_sg_symbol_H-M      P2(1)
_cod_original_formula_sum        'C14 H15 Au Cl N2 O4.50 S'
_cod_database_code               7013417
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Au1 Au 0.53108(2) 0.52391(2) 0.28002(2) 0.02430(7) Uani 1 1 d . . .
S1 S 0.5277(2) 0.7442(2) 0.2556(2) 0.0401(5) Uani 1 1 d . . .
O1 O 0.6047(4) 0.5451(5) 0.0357(5) 0.0406(14) Uani 1 1 d . . .
O2 O 0.5862(4) 0.7639(5) 0.0284(5) 0.0385(14) Uani 1 1 d . . .
H2O H 0.6528 0.7651 0.0449 0.046 Uiso 1 1 calc R . .
N1 N 0.5474(5) 0.3241(6) 0.3185(6) 0.0291(14) Uani 1 1 d . . .
N2 N 0.4477(5) 0.5116(7) 0.1032(5) 0.0253(13) Uani 1 1 d . . .
H2A H 0.4807 0.4494 0.0809 0.030 Uiso 1 1 calc R . .
H2B H 0.3767 0.4868 0.0817 0.030 Uiso 1 1 calc R . .
C1 C 0.6003(6) 0.5351(11) 0.4459(7) 0.0334(18) Uani 1 1 d . . .
C2 C 0.6266(7) 0.6482(9) 0.5111(8) 0.038(2) Uani 1 1 d . . .
H2 H 0.6150 0.7306 0.4781 0.046 Uiso 1 1 calc R . .
C3 C 0.6700(8) 0.6374(11) 0.6256(8) 0.047(2) Uani 1 1 d . . .
H3 H 0.6875 0.7129 0.6688 0.056 Uiso 1 1 calc R . .
C4 C 0.6876(7) 0.5150(13) 0.6757(8) 0.051(3) Uani 1 1 d . . .
H4 H 0.7163 0.5094 0.7523 0.061 Uiso 1 1 calc R . .
C5 C 0.6633(7) 0.4033(10) 0.6145(8) 0.041(2) Uani 1 1 d . . .
H5 H 0.6744 0.3215 0.6484 0.049 Uiso 1 1 calc R . .
C6 C 0.6210(7) 0.4135(9) 0.4990(8) 0.035(2) Uani 1 1 d . . .
C7 C 0.5956(6) 0.2945(7) 0.4260(7) 0.0284(16) Uani 1 1 d . . .
C8 C 0.6175(7) 0.1670(9) 0.4614(9) 0.043(2) Uani 1 1 d . . .
H8 H 0.6505 0.1480 0.5367 0.051 Uiso 1 1 calc R . .
C9 C 0.5910(7) 0.0684(8) 0.3865(9) 0.048(2) Uani 1 1 d . . .
H9 H 0.6048 -0.0185 0.4099 0.057 Uiso 1 1 calc R . .
C10 C 0.5438(8) 0.0978(9) 0.2764(9) 0.055(3) Uani 1 1 d . . .
H10 H 0.5271 0.0313 0.2241 0.066 Uiso 1 1 calc R . .
C11 C 0.5213(9) 0.2267(8) 0.2435(9) 0.046(2) Uani 1 1 d . . .
H11 H 0.4875 0.2469 0.1684 0.055 Uiso 1 1 calc R . .
C12 C 0.4296(6) 0.7506(8) 0.1102(7) 0.036(2) Uani 1 1 d . . .
H12A H 0.3542 0.7471 0.1023 0.043 Uiso 1 1 calc R . .
H12B H 0.4384 0.8328 0.0787 0.043 Uiso 1 1 calc R . .
C13 C 0.4484(6) 0.6368(8) 0.0487(7) 0.0292(16) Uani 1 1 d . . .
H13 H 0.3868 0.6352 -0.0263 0.035 Uiso 1 1 calc R . .
C14 C 0.5574(6) 0.6478(7) 0.0390(6) 0.0263(15) Uani 1 1 d . . .
Au2 Au -0.07389(2) 0.46218(3) -0.37486(3) 0.02541(7) Uani 1 1 d . . .
S2 S -0.04776(19) 0.2518(2) -0.31500(19) 0.0370(5) Uani 1 1 d . . .
O3 O 0.2093(5) 0.4771(7) -0.1445(7) 0.062(2) Uani 1 1 d . . .
O4 O 0.2139(5) 0.2821(5) -0.0722(5) 0.0426(14) Uani 1 1 d . . .
H4O H 0.2007 0.2267 -0.1205 0.051 Uiso 1 1 calc R . .
N3 N -0.1037(5) 0.6505(6) -0.4446(6) 0.0304(15) Uani 1 1 d . . .
N4 N -0.0063(5) 0.5209(8) -0.2060(6) 0.0354(15) Uani 1 1 d . . .
H3A H 0.0438 0.5852 -0.1933 0.042 Uiso 1 1 calc R . .
H3B H -0.0611 0.5529 -0.1920 0.042 Uiso 1 1 calc R . .
C15 C -0.1337(6) 0.4112(8) -0.5359(7) 0.0255(17) Uani 1 1 d . . .
C16 C -0.1487(7) 0.2862(9) -0.5778(7) 0.0311(18) Uani 1 1 d . . .
H16 H -0.1334 0.2144 -0.5307 0.037 Uiso 1 1 calc R . .
C17 C -0.1866(7) 0.2670(9) -0.6909(8) 0.041(2) Uani 1 1 d . . .
H17 H -0.1952 0.1822 -0.7191 0.049 Uiso 1 1 calc R . .
C18 C -0.2117(8) 0.3728(11) -0.7614(8) 0.051(2) Uani 1 1 d . . .
H18 H -0.2382 0.3598 -0.8371 0.061 Uiso 1 1 calc R . .
C19 C -0.1972(7) 0.4974(9) -0.7192(7) 0.043(2) Uani 1 1 d . . .
H19 H -0.2130 0.5690 -0.7666 0.051 Uiso 1 1 calc R . .
C20 C -0.1588(6) 0.5186(10) -0.6050(6) 0.0300(16) Uani 1 1 d . . .
C21 C -0.1472(7) 0.6490(9) -0.5565(8) 0.0314(19) Uani 1 1 d . . .
C22 C -0.1763(8) 0.7673(9) -0.6147(9) 0.044(2) Uani 1 1 d . . .
H22 H -0.2049 0.7688 -0.6914 0.052 Uiso 1 1 calc R . .
C23 C -0.1612(8) 0.8836(9) -0.5545(10) 0.050(3) Uani 1 1 d . . .
H23 H -0.1785 0.9637 -0.5916 0.060 Uiso 1 1 calc R . .
C24 C -0.1219(7) 0.8815(9) -0.4429(9) 0.049(2) Uani 1 1 d . . .
H24 H -0.1134 0.9589 -0.4034 0.059 Uiso 1 1 calc R . .
C25 C -0.0945(7) 0.7614(9) -0.3888(9) 0.040(2) Uani 1 1 d . . .
H25 H -0.0694 0.7583 -0.3125 0.047 Uiso 1 1 calc R . .
C26 C -0.0235(7) 0.2854(9) -0.1727(7) 0.038(2) Uani 1 1 d . . .
H26A H -0.0942 0.3005 -0.1713 0.046 Uiso 1 1 calc R . .
H26B H 0.0118 0.2100 -0.1263 0.046 Uiso 1 1 calc R . .
C27 C 0.0501(6) 0.4049(8) -0.1279(7) 0.0294(16) Uani 1 1 d . . .
H27 H 0.0555 0.4257 -0.0548 0.035 Uiso 1 1 calc R . .
C28 C 0.1674(6) 0.3906(7) -0.1168(7) 0.0305(16) Uani 1 1 d . . .
Cl1 Cl 0.22293(17) 0.49277(18) 0.2068(2) 0.0416(5) Uani 1 1 d D . .
O5 O 0.2862(7) 0.4788(10) 0.3249(6) 0.103(3) Uani 1 1 d D . .
O6 O 0.2397(7) 0.6183(7) 0.1737(9) 0.113(4) Uani 1 1 d D . .
O7 O 0.2644(5) 0.3938(7) 0.1595(7) 0.067(2) Uani 1 1 d D . .
O8 O 0.1092(5) 0.4706(8) 0.1753(7) 0.084(3) Uani 1 1 d D . .
Cl2 Cl -0.1088(5) 0.6731(6) -1.0973(5) 0.0700(15) Uani 0.50 1 d P . .
Cl3 Cl -0.1074(6) 0.2460(7) 0.0411(7) 0.092(2) Uani 0.50 1 d P . .
O9 O -0.2145(7) 0.4864(6) -1.0134(8) 0.067(2) Uani 1 1 d D . .
H1S H -0.149(6) 0.445(13) -0.996(12) 0.12(4) Uiso 1 1 d D . .
H2S H -0.195(11) 0.564(7) -1.031(12) 0.12(4) Uiso 1 1 d D . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C1 Au1 N1 80.4(4) . . ?
C1 Au1 N2 176.5(3) . . ?
N1 Au1 N2 99.5(3) . . ?
C1 Au1 S1 94.3(3) . . ?
N1 Au1 S1 174.2(2) . . ?
N2 Au1 S1 85.93(19) . . ?
C12 S1 Au1 98.7(3) . . ?
C7 N1 C11 119.2(7) . . ?
C7 N1 Au1 115.9(5) . . ?
C11 N1 Au1 124.6(6) . . ?
C13 N2 Au1 112.9(5) . . ?
C6 C1 C2 118.2(7) . . ?
C6 C1 Au1 114.2(7) . . ?
C2 C1 Au1 127.7(8) . . ?
C3 C2 C1 119.9(9) . . ?
C4 C3 C2 120.6(9) . . ?
C5 C4 C3 120.9(8) . . ?
C4 C5 C6 118.8(9) . . ?
C1 C6 C5 121.6(8) . . ?
C1 C6 C7 116.4(8) . . ?
C5 C6 C7 122.0(9) . . ?
N1 C7 C8 121.2(8) . . ?
N1 C7 C6 112.9(7) . . ?
C8 C7 C6 125.9(9) . . ?
C9 C8 C7 119.9(9) . . ?
C8 C9 C10 119.4(8) . . ?
C9 C10 C11 119.3(10) . . ?
N1 C11 C10 120.9(10) . . ?
C13 C12 S1 110.4(5) . . ?
N2 C13 C12 110.3(6) . . ?
N2 C13 C14 109.1(6) . . ?
C12 C13 C14 113.2(6) . . ?
O1 C14 O2 126.5(7) . . ?
O1 C14 C13 117.9(6) . . ?
O2 C14 C13 115.4(7) . . ?
C15 Au2 N3 81.2(3) . . ?
C15 Au2 N4 177.8(3) . . ?
N3 Au2 N4 97.4(3) . . ?
C15 Au2 S2 93.7(2) . . ?
N3 Au2 S2 174.9(2) . . ?
N4 Au2 S2 87.7(2) . . ?
C26 S2 Au2 97.1(3) . . ?
C25 N3 C21 121.7(8) . . ?
C25 N3 Au2 124.8(6) . . ?
C21 N3 Au2 113.1(6) . . ?
C27 N4 Au2 111.3(5) . . ?
C16 C15 C20 120.7(8) . . ?
C16 C15 Au2 126.7(7) . . ?
C20 C15 Au2 112.6(6) . . ?
C15 C16 C17 119.9(9) . . ?
C18 C17 C16 120.4(9) . . ?
C19 C18 C17 119.5(9) . . ?
C18 C19 C20 120.9(9) . . ?
C15 C20 C19 118.7(8) . . ?
C15 C20 C21 118.2(7) . . ?
C19 C20 C21 123.1(8) . . ?
N3 C21 C22 119.4(9) . . ?
N3 C21 C20 114.7(7) . . ?
C22 C21 C20 125.9(9) . . ?
C21 C22 C23 118.2(10) . . ?
C24 C23 C22 121.0(9) . . ?
C23 C24 C25 118.6(10) . . ?
N3 C25 C24 120.9(10) . . ?
C27 C26 S2 110.3(6) . . ?
C26 C27 C28 115.2(7) . . ?
C26 C27 N4 108.1(6) . . ?
C28 C27 N4 108.1(6) . . ?
O3 C28 O4 125.9(7) . . ?
O3 C28 C27 120.9(7) . . ?
O4 C28 C27 113.2(7) . . ?
O6 Cl1 O8 110.9(5) . . ?
O6 Cl1 O7 110.3(5) . . ?
O8 Cl1 O7 109.8(4) . . ?
O6 Cl1 O5 110.1(6) . . ?
O8 Cl1 O5 109.9(5) . . ?
O7 Cl1 O5 105.7(5) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Au1 C1 2.008(9) . ?
Au1 N1 2.087(6) . ?
Au1 N2 2.139(6) . ?
Au1 S1 2.265(2) . ?
S1 C12 1.810(9) . ?
O1 C14 1.236(9) . ?
O2 C14 1.271(9) . ?
N1 C7 1.333(11) . ?
N1 C11 1.348(11) . ?
N2 C13 1.475(10) . ?
C1 C6 1.395(13) . ?
C1 C2 1.396(13) . ?
C2 C3 1.391(13) . ?
C3 C4 1.388(15) . ?
C4 C5 1.357(14) . ?
C5 C6 1.406(13) . ?
C6 C7 1.501(12) . ?
C7 C8 1.369(11) . ?
C8 C9 1.354(14) . ?
C9 C10 1.363(14) . ?
C10 C11 1.376(13) . ?
C12 C13 1.513(11) . ?
C13 C14 1.532(10) . ?
Au2 C15 2.020(8) . ?
Au2 N3 2.094(7) . ?
Au2 N4 2.128(7) . ?
Au2 S2 2.261(2) . ?
S2 C26 1.833(9) . ?
O3 C28 1.193(9) . ?
O4 C28 1.279(9) . ?
N3 C25 1.333(11) . ?
N3 C21 1.354(11) . ?
N4 C27 1.538(10) . ?
C15 C16 1.370(11) . ?
C15 C20 1.379(12) . ?
C16 C17 1.392(12) . ?
C17 C18 1.376(14) . ?
C18 C19 1.369(14) . ?
C19 C20 1.406(11) . ?
C20 C21 1.459(12) . ?
C21 C22 1.395(12) . ?
C22 C23 1.400(14) . ?
C23 C24 1.356(15) . ?
C24 C25 1.386(13) . ?
C26 C27 1.513(11) . ?
C27 C28 1.523(10) . ?
Cl1 O6 1.406(7) . ?
Cl1 O8 1.409(6) . ?
Cl1 O7 1.434(6) . ?
Cl1 O5 1.439(7) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C1 Au1 S1 C12 -163.5(3) . . . . ?
N1 Au1 S1 C12 172.3(19) . . . . ?
N2 Au1 S1 C12 13.1(3) . . . . ?
C1 Au1 N1 C7 -2.1(6) . . . . ?
N2 Au1 N1 C7 -178.6(5) . . . . ?
S1 Au1 N1 C7 22(2) . . . . ?
C1 Au1 N1 C11 -176.5(8) . . . . ?
N2 Au1 N1 C11 7.1(8) . . . . ?
S1 Au1 N1 C11 -151.9(16) . . . . ?
C1 Au1 N2 C13 107(7) . . . . ?
N1 Au1 N2 C13 -165.5(5) . . . . ?
S1 Au1 N2 C13 12.4(5) . . . . ?
N1 Au1 C1 C6 -1.0(6) . . . . ?
N2 Au1 C1 C6 87(7) . . . . ?
S1 Au1 C1 C6 -178.6(6) . . . . ?
N1 Au1 C1 C2 -179.4(7) . . . . ?
N2 Au1 C1 C2 -91(7) . . . . ?
S1 Au1 C1 C2 3.0(7) . . . . ?
C6 C1 C2 C3 -1.2(12) . . . . ?
Au1 C1 C2 C3 177.1(6) . . . . ?
C1 C2 C3 C4 0.0(14) . . . . ?
C2 C3 C4 C5 0.3(14) . . . . ?
C3 C4 C5 C6 0.7(13) . . . . ?
C2 C1 C6 C5 2.2(12) . . . . ?
Au1 C1 C6 C5 -176.3(6) . . . . ?
C2 C1 C6 C7 -177.7(7) . . . . ?
Au1 C1 C6 C7 3.7(9) . . . . ?
C4 C5 C6 C1 -2.0(13) . . . . ?
C4 C5 C6 C7 178.0(8) . . . . ?
C11 N1 C7 C8 -1.0(12) . . . . ?
Au1 N1 C7 C8 -175.7(6) . . . . ?
C11 N1 C7 C6 179.2(8) . . . . ?
Au1 N1 C7 C6 4.5(8) . . . . ?
C1 C6 C7 N1 -5.5(10) . . . . ?
C5 C6 C7 N1 174.6(8) . . . . ?
C1 C6 C7 C8 174.7(8) . . . . ?
C5 C6 C7 C8 -5.2(13) . . . . ?
N1 C7 C8 C9 0.7(13) . . . . ?
C6 C7 C8 C9 -179.5(8) . . . . ?
C7 C8 C9 C10 0.8(14) . . . . ?
C8 C9 C10 C11 -1.8(15) . . . . ?
C7 N1 C11 C10 -0.1(14) . . . . ?
Au1 N1 C11 C10 174.1(7) . . . . ?
C9 C10 C11 N1 1.5(16) . . . . ?
Au1 S1 C12 C13 -38.2(6) . . . . ?
Au1 N2 C13 C12 -40.1(7) . . . . ?
Au1 N2 C13 C14 84.8(6) . . . . ?
S1 C12 C13 N2 53.0(7) . . . . ?
S1 C12 C13 C14 -69.6(7) . . . . ?
N2 C13 C14 O1 26.4(9) . . . . ?
C12 C13 C14 O1 149.6(7) . . . . ?
N2 C13 C14 O2 -157.7(7) . . . . ?
C12 C13 C14 O2 -34.6(9) . . . . ?
C15 Au2 S2 C26 -167.7(3) . . . . ?
N3 Au2 S2 C26 -167(2) . . . . ?
N4 Au2 S2 C26 14.0(3) . . . . ?
C15 Au2 N3 C25 173.1(7) . . . . ?
N4 Au2 N3 C25 -8.7(7) . . . . ?
S2 Au2 N3 C25 171.9(17) . . . . ?
C15 Au2 N3 C21 0.9(6) . . . . ?
N4 Au2 N3 C21 179.1(5) . . . . ?
S2 Au2 N3 C21 0(2) . . . . ?
C15 Au2 N4 C27 -115(8) . . . . ?
N3 Au2 N4 C27 -167.1(5) . . . . ?
S2 Au2 N4 C27 12.9(5) . . . . ?
N3 Au2 C15 C16 -179.0(7) . . . . ?
N4 Au2 C15 C16 129(8) . . . . ?
S2 Au2 C15 C16 0.9(7) . . . . ?
N3 Au2 C15 C20 1.8(5) . . . . ?
N4 Au2 C15 C20 -51(8) . . . . ?
S2 Au2 C15 C20 -178.3(5) . . . . ?
C20 C15 C16 C17 1.8(12) . . . . ?
Au2 C15 C16 C17 -177.4(6) . . . . ?
C15 C16 C17 C18 -1.4(13) . . . . ?
C16 C17 C18 C19 1.0(15) . . . . ?
C17 C18 C19 C20 -1.0(15) . . . . ?
C16 C15 C20 C19 -1.7(12) . . . . ?
Au2 C15 C20 C19 177.5(6) . . . . ?
C16 C15 C20 C21 176.6(7) . . . . ?
Au2 C15 C20 C21 -4.2(9) . . . . ?
C18 C19 C20 C15 1.3(13) . . . . ?
C18 C19 C20 C21 -176.9(8) . . . . ?
C25 N3 C21 C22 4.5(12) . . . . ?
Au2 N3 C21 C22 177.0(6) . . . . ?
C25 N3 C21 C20 -175.7(7) . . . . ?
Au2 N3 C21 C20 -3.2(8) . . . . ?
C15 C20 C21 N3 5.0(10) . . . . ?
C19 C20 C21 N3 -176.8(7) . . . . ?
C15 C20 C21 C22 -175.2(8) . . . . ?
C19 C20 C21 C22 3.0(13) . . . . ?
N3 C21 C22 C23 -1.4(12) . . . . ?
C20 C21 C22 C23 178.9(8) . . . . ?
C21 C22 C23 C24 -1.5(14) . . . . ?
C22 C23 C24 C25 1.3(14) . . . . ?
C21 N3 C25 C24 -4.8(12) . . . . ?
Au2 N3 C25 C24 -176.3(6) . . . . ?
C23 C24 C25 N3 1.8(13) . . . . ?
Au2 S2 C26 C27 -41.9(6) . . . . ?
S2 C26 C27 C28 -63.8(8) . . . . ?
S2 C26 C27 N4 57.1(7) . . . . ?
Au2 N4 C27 C26 -42.3(7) . . . . ?
Au2 N4 C27 C28 82.9(6) . . . . ?
C26 C27 C28 O3 136.8(9) . . . . ?
N4 C27 C28 O3 15.9(11) . . . . ?
C26 C27 C28 O4 -45.8(10) . . . . ?
N4 C27 C28 O4 -166.7(7) . . . . ?
