#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/65/2226509.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2226509
loop_
_publ_author_name
'Pažický, Marek'
'Rominger, Frank'
'Limbach, Michael'
_publ_section_title
;
 μ₃-Oxido-tris{dichlorido[1,3-bis(1,3,5-trimethylphenyl)imidazol-2-ylidene]gold(III)}
 bis(trifluoromethanesulfonyl)imide--[bis(trifluoromethanesulfonyl)imide]silver(I)
 (1/2)
;
_journal_coeditor_code           HG2690
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m724
_journal_page_last               m725
_journal_paper_doi               10.1107/S160053681001994X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Au3 Cl6 O (C21 H24 N2)3] (C2 F6 N O4 S2), [Ag (C2 F6 N O4 S2)]2'
_chemical_formula_moiety
'C63 H72 Au3 Cl6 N6 O1, 2(C2 Ag F6 N O4 S2), C2 F6 N O4 S2'
_chemical_formula_sum            'C69 H72 Ag2 Au3 Cl6 F18 N9 O13 S6'
_chemical_formula_weight         2789.06
_chemical_name_systematic
;
μ₃-Oxido-tris{dichlorido[1,3-bis(1,3,5-trimethylphenyl)imidazol-2-\
ylidene]gold(III)} bis(trifluoromethanesulfonyl)imide--\
[bis(trifluoromethanesulfonyl)imide]silver(I) (1/2)
;
_space_group_IT_number           96
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4nw 2abw'
_symmetry_space_group_name_H-M   'P 43 21 2'
_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                   13.9472(9)
_cell_length_b                   13.9472(9)
_cell_length_c                   45.724(3)
_cell_measurement_reflns_used    7947
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      26.48
_cell_measurement_theta_min      2.25
_cell_volume                     8894.4(10)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008b)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008b)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008b)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008b)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART APEX'
_diffrn_measurement_method       '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  0.0677
_diffrn_reflns_av_sigmaI/netI    0.0386
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       59
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_number            93947
_diffrn_reflns_theta_full        28.31
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         1.98
_exptl_absorpt_coefficient_mu    5.785
_exptl_absorpt_correction_T_max  0.5686
_exptl_absorpt_correction_T_min  0.3257
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Sheldrick, 2008a)
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.083
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             5376
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.647
_refine_diff_density_min         -1.451
_refine_ls_abs_structure_details 'Flack (1983), 4737 Friedel pairs'
_refine_ls_abs_structure_Flack   0.396(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.268
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     581
_refine_ls_number_reflns         11087
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.269
_refine_ls_R_factor_all          0.0532
_refine_ls_R_factor_gt           0.0496
_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)+(0.0179P)²+57.4255P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0928
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                10564
_reflns_number_total             11087
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            hg2690.cif
_cod_data_source_block           I
_cod_original_cell_volume        8894.5(10)
_cod_database_code               2226509
_cod_database_fobs_code          2226509
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-y+1/2, x+1/2, z+3/4'
'y+1/2, -x+1/2, z+1/4'
'-x+1/2, y+1/2, -z+3/4'
'x+1/2, -y+1/2, -z+1/4'
'y, x, -z'
'-y, -x, -z+1/2'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Au Au1 0.47994(2) 0.47994(2) 0.0000 0.01855(9) Uani d S 1 . .
Cl Cl1 0.49234(17) 0.47738(18) 0.04966(4) 0.0362(5) Uani d . 1 . .
Au Au2 0.56741(2) 0.69371(2) 0.027945(7) 0.01900(7) Uani d . 1 . .
Cl Cl2 0.41769(15) 0.71618(17) 0.00937(5) 0.0337(5) Uani d . 1 A .
Cl Cl3 0.71719(17) 0.6628(2) 0.04497(7) 0.0477(7) Uani d . 1 A .
O O1 0.5837(3) 0.5837(3) 0.0000 0.0284(19) Uani d P 1 A .
Ag Ag3 0.46707(8) 0.68405(8) -0.04559(2) 0.0536(3) Uani d P 0.870(2) A 1
Ag Ag3B 0.5271(5) 0.8028(6) -0.03324(15) 0.058(2) Uani d P 0.130(2) A 2
C C1 0.3776(6) 0.3776(6) 0.0000 0.037(3) Uani d SU 1 . .
N N2 0.3920(5) 0.2874(5) 0.00768(19) 0.037(2) Uani d U 1 . .
C C3 0.3046(7) 0.2407(7) 0.0040(3) 0.062(4) Uani d U 1 . .
H H3 0.2933 0.1741 0.0067 0.074 Uiso calc R 1 . .
C C6 0.5503(6) 0.8017(6) 0.05561(17) 0.0222(16) Uani d . 1 A .
N N7 0.5764(6) 0.8943(5) 0.05029(17) 0.0308(17) Uani d . 1 . .
C C8 0.5536(8) 0.9498(7) 0.0742(2) 0.044(3) Uani d . 1 A .
H H8 0.5645 1.0166 0.0763 0.053 Uiso calc R 1 . .
C C9 0.5128(9) 0.8909(7) 0.0937(2) 0.047(3) Uani d . 1 . .
H H9 0.4893 0.9089 0.1124 0.056 Uiso calc R 1 A .
N N10 0.5109(6) 0.8000(5) 0.08202(15) 0.0286(16) Uani d . 1 A .
C C11 0.4835(7) 0.2484(6) 0.0171(2) 0.0332(19) Uani d U 1 . .
C C12 0.4957(11) 0.2391(7) 0.0473(2) 0.058(4) Uani d . 1 . .
C C13 0.5888(12) 0.2127(7) 0.0558(2) 0.062(4) Uani d . 1 . .
H H13 0.6021 0.2046 0.0760 0.075 Uiso calc R 1 . .
C C14 0.6622(9) 0.1978(7) 0.0358(2) 0.045(3) Uani d . 1 . .
C C15 0.6394(8) 0.1980(7) 0.0071(2) 0.037(2) Uani d . 1 . .
H H15 0.6862 0.1773 -0.0066 0.045 Uiso calc R 1 . .
C C16 0.5505(7) 0.2271(6) -0.0033(2) 0.033(2) Uani d . 1 . .
C C17 0.4194(14) 0.2516(10) 0.0696(3) 0.101(7) Uani d . 1 . .
H H17A 0.3590 0.2686 0.0599 0.152 Uiso calc R 1 . .
H H17B 0.4377 0.3029 0.0832 0.152 Uiso calc R 1 . .
H H17C 0.4110 0.1917 0.0805 0.152 Uiso calc R 1 . .
C C18 0.7632(11) 0.1742(9) 0.0464(3) 0.074(5) Uani d . 1 . .
H H18A 0.8061 0.1674 0.0296 0.112 Uiso calc R 1 . .
H H18B 0.7620 0.1140 0.0575 0.112 Uiso calc R 1 . .
H H18C 0.7864 0.2260 0.0591 0.112 Uiso calc R 1 . .
C C19 0.5314(7) 0.2320(7) -0.0354(2) 0.037(2) Uani d . 1 . .
H H19A 0.5889 0.2121 -0.0461 0.056 Uiso calc R 1 . .
H H19B 0.5147 0.2978 -0.0409 0.056 Uiso calc R 1 . .
H H19C 0.4781 0.1891 -0.0404 0.056 Uiso calc R 1 . .
C C21 0.6180(6) 0.9258(6) 0.02272(19) 0.0237(17) Uani d . 1 A .
C C22 0.7164(7) 0.9273(6) 0.0204(2) 0.032(2) Uani d . 1 . .
C C23 0.7551(6) 0.9507(7) -0.0071(2) 0.035(2) Uani d . 1 A .
H H23 0.8228 0.9537 -0.0094 0.042 Uiso calc R 1 . .
C C24 0.6973(7) 0.9695(7) -0.0308(2) 0.036(2) Uani d . 1 . .
C C25 0.5982(7) 0.9694(6) -0.0267(2) 0.037(2) Uani d . 1 A .
H H25 0.5579 0.9835 -0.0429 0.044 Uiso calc R 1 B 2
C C26 0.5560(6) 0.9495(6) 0.0003(2) 0.0314(19) Uani d . 1 . .
C C27 0.7821(7) 0.9102(8) 0.0458(2) 0.043(2) Uani d . 1 A .
H H27A 0.8488 0.9161 0.0394 0.064 Uiso calc R 1 . .
H H27B 0.7712 0.8456 0.0536 0.064 Uiso calc R 1 . .
H H27C 0.7691 0.9577 0.0611 0.064 Uiso calc R 1 . .
C C28 0.7370(8) 0.9888(8) -0.0611(2) 0.049(3) Uani d . 1 A .
H H28A 0.6840 1.0019 -0.0746 0.073 Uiso calc R 1 . .
H H28B 0.7727 0.9325 -0.0679 0.073 Uiso calc R 1 . .
H H28C 0.7799 1.0444 -0.0604 0.073 Uiso calc R 1 . .
C C29 0.4533(8) 0.9624(8) 0.0046(3) 0.052(3) Uani d . 1 A .
H H29A 0.4227 0.9762 -0.0143 0.078 Uiso calc R 1 . .
H H29B 0.4423 1.0160 0.0180 0.078 Uiso calc R 1 . .
H H29C 0.4258 0.9037 0.0129 0.078 Uiso calc R 1 . .
C C31 0.4692(7) 0.7163(6) 0.09582(18) 0.0275(18) Uani d . 1 . .
C C32 0.3718(7) 0.6983(8) 0.0923(2) 0.036(2) Uani d . 1 A .
C C33 0.3346(8) 0.6165(8) 0.1046(2) 0.044(3) Uani d . 1 . .
H H33 0.2683 0.6029 0.1023 0.053 Uiso calc R 1 A .
C C34 0.3913(8) 0.5534(8) 0.1202(2) 0.044(3) Uani d . 1 A .
C C35 0.4871(8) 0.5756(7) 0.1245(2) 0.040(2) Uani d . 1 . .
H H35 0.5254 0.5342 0.1362 0.049 Uiso calc R 1 A .
C C36 0.5283(8) 0.6565(7) 0.11232(18) 0.037(2) Uani d . 1 A .
C C37 0.3100(8) 0.7712(9) 0.0770(3) 0.054(3) Uani d . 1 . .
H H37A 0.3500 0.8245 0.0702 0.082 Uiso calc R 1 A .
H H37B 0.2615 0.7954 0.0906 0.082 Uiso calc R 1 . .
H H37C 0.2783 0.7412 0.0602 0.082 Uiso calc R 1 . .
C C38 0.3493(11) 0.4622(9) 0.1320(3) 0.064(4) Uani d . 1 . .
H H38A 0.3986 0.4271 0.1429 0.096 Uiso calc R 1 A .
H H38B 0.3264 0.4226 0.1157 0.096 Uiso calc R 1 . .
H H38C 0.2956 0.4773 0.1450 0.096 Uiso calc R 1 . .
C C39 0.6317(8) 0.6810(10) 0.1185(2) 0.058(3) Uani d . 1 . .
H H39A 0.6606 0.6304 0.1305 0.087 Uiso calc R 1 A .
H H39B 0.6350 0.7421 0.1290 0.087 Uiso calc R 1 . .
H H39C 0.6668 0.6865 0.1000 0.087 Uiso calc R 1 . .
N N11 0.3867(6) 0.9291(7) -0.11355(19) 0.041(2) Uani d . 1 . .
S S1 0.44103(18) 0.84305(18) -0.09968(5) 0.0356(5) Uani d . 1 A .
O O11 0.4141(6) 0.8202(6) -0.07076(16) 0.054(2) Uani d . 1 . .
O O12 0.5421(5) 0.8391(6) -0.10565(19) 0.056(2) Uani d . 1 . .
C C41 0.3857(10) 0.7501(9) -0.1216(3) 0.050(3) Uani d . 1 . .
F F1 0.4146(7) 0.6650(5) -0.11142(19) 0.086(3) Uani d . 1 A .
F F2 0.2925(6) 0.7518(5) -0.12012(18) 0.070(2) Uani d . 1 A .
F F3 0.4097(7) 0.7548(6) -0.14891(17) 0.085(3) Uani d . 1 A .
S S2 0.40339(16) 1.03734(17) -0.10456(5) 0.0305(5) Uani d . 1 . .
O O21 0.4876(5) 1.0540(6) -0.08791(16) 0.0469(18) Uani d . 1 . .
O O22 0.3869(6) 1.0968(5) -0.12919(14) 0.0466(19) Uani d . 1 . .
C C42 0.3037(8) 1.0632(9) -0.0801(2) 0.046(3) Uani d . 1 . .
F F4 0.3092(6) 1.0118(6) -0.05641(14) 0.085(3) Uani d . 1 . .
F F5 0.2218(5) 1.0482(6) -0.09288(16) 0.067(2) Uani d . 1 . .
F F6 0.3077(6) 1.1556(6) -0.07284(16) 0.072(2) Uani d . 1 . .
N N31 0.0200(6) 0.0200(6) 0.0000 0.036(2) Uani d S 1 . .
S S3 0.07670(17) 0.04173(16) 0.02944(5) 0.0366(5) Uani d . 1 . .
O O31 0.1221(6) 0.1333(5) 0.03190(16) 0.0480(18) Uani d . 1 . .
O O32 0.0217(6) 0.0065(6) 0.05325(16) 0.059(2) Uani d . 1 . .
C C43 0.1783(9) -0.0397(9) 0.0274(3) 0.060(3) Uani d . 1 . .
F F7 0.2316(7) -0.0298(7) 0.0511(2) 0.107(3) Uani d . 1 . .
F F8 0.2302(5) -0.0250(6) 0.00419(18) 0.078(2) Uani d . 1 . .
F F9 0.1494(6) -0.1304(5) 0.0266(2) 0.078(2) Uani d . 1 . .
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Au Au -2.0133 8.8022 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C1 Au1 O1 . . 180.0(3) ?
C1 Au1 Cl1 . 7 92.44(6) ?
O1 Au1 Cl1 . 7 87.56(6) ?
C1 Au1 Cl1 . . 92.44(6) ?
O1 Au1 Cl1 . . 87.56(6) ?
Cl1 Au1 Cl1 7 . 175.12(12) ?
Au1 Cl1 Ag3 . 7 90.42(7) ?
C6 Au2 O1 . . 179.5(3) ?
C6 Au2 Cl3 . . 92.1(2) ?
O1 Au2 Cl3 . . 88.25(13) ?
C6 Au2 Cl2 . . 91.3(2) ?
O1 Au2 Cl2 . . 88.36(12) ?
Cl3 Au2 Cl2 . . 176.55(9) ?
C6 Au2 Ag3B . . 100.0(3) ?
O1 Au2 Ag3B . . 80.16(16) ?
Cl3 Au2 Ag3B . . 123.08(16) ?
Cl2 Au2 Ag3B . . 56.83(15) ?
Au2 Cl2 Ag3 . . 95.30(8) ?
Au2 Cl2 Ag3B . . 79.40(16) ?
Ag3 Cl2 Ag3B . . 42.07(18) ?
Au2 Cl3 Ag3B . 7 123.6(2) ?
Au2 Cl3 Ag3 . 7 92.12(9) ?
Ag3B Cl3 Ag3 7 7 43.8(2) ?
Au2 O1 Au2 . 7 125.2(3) ?
Au2 O1 Au1 . . 117.41(17) ?
Au2 O1 Au1 7 . 117.41(17) ?
O11 Ag3 Cl2 . . 104.3(2) ?
O11 Ag3 Cl1 . 7 142.3(2) ?
Cl2 Ag3 Cl1 . 7 104.40(8) ?
O11 Ag3 Cl3 . 7 100.4(2) ?
Cl2 Ag3 Cl3 . 7 102.64(9) ?
Cl1 Ag3 Cl3 7 7 96.55(8) ?
Cl3 Ag3B O11 7 . 115.9(4) ?
Cl3 Ag3B C25 7 . 100.4(4) ?
O11 Ag3B C25 . . 104.7(4) ?
Cl3 Ag3B C26 7 . 114.8(4) ?
O11 Ag3B C26 . . 117.2(4) ?
C25 Ag3B C26 . . 31.5(3) ?
Cl3 Ag3B Cl2 7 . 113.1(3) ?
O11 Ag3B Cl2 . . 101.0(3) ?
C25 Ag3B Cl2 . . 122.3(4) ?
C26 Ag3B Cl2 . . 90.8(3) ?
Cl3 Ag3B Au2 7 . 79.3(2) ?
O11 Ag3B Au2 . . 143.1(4) ?
C25 Ag3B Au2 . . 105.1(3) ?
C26 Ag3B Au2 . . 80.4(3) ?
Cl2 Ag3B Au2 . . 43.77(11) ?
N2 C1 N2 . 7 111.0(11) ?
N2 C1 Au1 . . 124.5(5) ?
N2 C1 Au1 7 . 124.5(5) ?
C1 N2 C3 . . 106.3(9) ?
C1 N2 C11 . . 124.7(7) ?
C3 N2 C11 . . 129.0(8) ?
C3 C3 N2 7 . 108.1(6) ?
C3 C3 H3 7 . 126.0 ?
N2 C3 H3 . . 126.0 ?
N10 C6 N7 . . 106.8(7) ?
N10 C6 Au2 . . 128.1(6) ?
N7 C6 Au2 . . 125.0(6) ?
C6 N7 C8 . . 109.2(7) ?
C6 N7 C21 . . 123.1(7) ?
C8 N7 C21 . . 127.6(7) ?
C9 C8 N7 . . 106.5(8) ?
C9 C8 H8 . . 126.8 ?
N7 C8 H8 . . 126.8 ?
C8 C9 N10 . . 108.3(8) ?
C8 C9 H9 . . 125.9 ?
N10 C9 H9 . . 125.9 ?
C6 N10 C9 . . 109.2(8) ?
C6 N10 C31 . . 125.2(7) ?
C9 N10 C31 . . 125.5(7) ?
C16 C11 C12 . . 125.2(11) ?
C16 C11 N2 . . 119.0(9) ?
C12 C11 N2 . . 115.7(9) ?
C11 C12 C13 . . 114.1(10) ?
C11 C12 C17 . . 125.5(14) ?
C13 C12 C17 . . 120.3(12) ?
C14 C13 C12 . . 122.6(10) ?
C14 C13 H13 . . 118.7 ?
C12 C13 H13 . . 118.7 ?
C15 C14 C13 . . 117.8(11) ?
C15 C14 C18 . . 121.9(11) ?
C13 C14 C18 . . 120.1(11) ?
C14 C15 C16 . . 123.0(10) ?
C14 C15 H15 . . 118.5 ?
C16 C15 H15 . . 118.5 ?
C11 C16 C15 . . 116.4(9) ?
C11 C16 C19 . . 123.0(10) ?
C15 C16 C19 . . 120.6(9) ?
C12 C17 H17A . . 109.5 ?
C12 C17 H17B . . 109.5 ?
H17A C17 H17B . . 109.5 ?
C12 C17 H17C . . 109.5 ?
H17A C17 H17C . . 109.5 ?
H17B C17 H17C . . 109.5 ?
C14 C18 H18A . . 109.5 ?
C14 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C14 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
C16 C19 H19A . . 109.5 ?
C16 C19 H19B . . 109.5 ?
H19A C19 H19B . . 109.5 ?
C16 C19 H19C . . 109.5 ?
H19A C19 H19C . . 109.5 ?
H19B C19 H19C . . 109.5 ?
C22 C21 C26 . . 124.1(8) ?
C22 C21 N7 . . 118.1(8) ?
C26 C21 N7 . . 117.8(8) ?
C21 C22 C23 . . 117.2(8) ?
C21 C22 C27 . . 123.0(9) ?
C23 C22 C27 . . 119.7(9) ?
C24 C23 C22 . . 121.5(9) ?
C24 C23 H23 . . 119.2 ?
C22 C23 H23 . . 119.2 ?
C23 C24 C25 . . 118.3(9) ?
C23 C24 C28 . . 122.6(9) ?
C25 C24 C28 . . 119.0(9) ?
C24 C25 C26 . . 122.5(9) ?
C24 C25 Ag3B . . 111.8(6) ?
C26 C25 Ag3B . . 76.0(5) ?
C24 C25 H25 . . 118.7 ?
C26 C25 H25 . . 118.7 ?
Ag3B C25 H25 . . 82.3 ?
C21 C26 C25 . . 116.1(8) ?
C21 C26 C29 . . 122.9(10) ?
C25 C26 C29 . . 120.7(9) ?
C21 C26 Ag3B . . 110.3(6) ?
C25 C26 Ag3B . . 72.5(5) ?
C29 C26 Ag3B . . 91.4(7) ?
C22 C27 H27A . . 109.5 ?
C22 C27 H27B . . 109.5 ?
H27A C27 H27B . . 109.5 ?
C22 C27 H27C . . 109.5 ?
H27A C27 H27C . . 109.5 ?
H27B C27 H27C . . 109.5 ?
C24 C28 H28A . . 109.5 ?
C24 C28 H28B . . 109.5 ?
H28A C28 H28B . . 109.5 ?
C24 C28 H28C . . 109.5 ?
H28A C28 H28C . . 109.5 ?
H28B C28 H28C . . 109.5 ?
C26 C29 H29A . . 109.5 ?
C26 C29 H29B . . 109.5 ?
H29A C29 H29B . . 109.5 ?
C26 C29 H29C . . 109.5 ?
H29A C29 H29C . . 109.5 ?
H29B C29 H29C . . 109.5 ?
C32 C31 C36 . . 122.2(9) ?
C32 C31 N10 . . 119.1(8) ?
C36 C31 N10 . . 118.7(8) ?
C33 C32 C31 . . 118.1(9) ?
C33 C32 C37 . . 122.3(10) ?
C31 C32 C37 . . 119.5(10) ?
C32 C33 C34 . . 121.6(10) ?
C32 C33 H33 . . 119.2 ?
C34 C33 H33 . . 119.2 ?
C33 C34 C35 . . 118.9(10) ?
C33 C34 C38 . . 120.2(11) ?
C35 C34 C38 . . 120.9(11) ?
C36 C35 C34 . . 121.7(9) ?
C36 C35 H35 . . 119.2 ?
C34 C35 H35 . . 119.2 ?
C35 C36 C31 . . 117.4(10) ?
C35 C36 C39 . . 120.5(10) ?
C31 C36 C39 . . 122.1(10) ?
C32 C37 H37A . . 109.5 ?
C32 C37 H37B . . 109.5 ?
H37A C37 H37B . . 109.5 ?
C32 C37 H37C . . 109.5 ?
H37A C37 H37C . . 109.5 ?
H37B C37 H37C . . 109.5 ?
C34 C38 H38A . . 109.5 ?
C34 C38 H38B . . 109.5 ?
H38A C38 H38B . . 109.5 ?
C34 C38 H38C . . 109.5 ?
H38A C38 H38C . . 109.5 ?
H38B C38 H38C . . 109.5 ?
C36 C39 H39A . . 109.5 ?
C36 C39 H39B . . 109.5 ?
H39A C39 H39B . . 109.5 ?
C36 C39 H39C . . 109.5 ?
H39A C39 H39C . . 109.5 ?
H39B C39 H39C . . 109.5 ?
S1 N11 S2 . . 124.0(6) ?
O11 S1 O12 . . 115.5(5) ?
O11 S1 N11 . . 115.3(5) ?
O12 S1 N11 . . 115.5(5) ?
O11 S1 C41 . . 104.1(6) ?
O12 S1 C41 . . 106.5(6) ?
N11 S1 C41 . . 96.8(5) ?
S1 O11 Ag3 . . 124.1(5) ?
S1 O11 Ag3B . . 122.1(5) ?
Ag3 O11 Ag3B . . 49.0(3) ?
F3 C41 F2 . . 108.0(10) ?
F3 C41 F1 . . 107.7(10) ?
F2 C41 F1 . . 107.4(11) ?
F3 C41 S1 . . 112.8(10) ?
F2 C41 S1 . . 112.5(8) ?
F1 C41 S1 . . 108.3(8) ?
O22 S2 O21 . . 117.7(5) ?
O22 S2 N11 . . 109.2(5) ?
O21 S2 N11 . . 114.7(5) ?
O22 S2 C42 . . 104.4(5) ?
O21 S2 C42 . . 105.7(5) ?
N11 S2 C42 . . 103.7(5) ?
F4 C42 F5 . . 109.7(11) ?
F4 C42 F6 . . 108.9(9) ?
F5 C42 F6 . . 107.7(10) ?
F4 C42 S2 . . 111.0(8) ?
F5 C42 S2 . . 111.3(7) ?
F6 C42 S2 . . 108.2(8) ?
S3 N31 S3 7 . 121.8(7) ?
O32 S3 O31 . . 119.2(5) ?
O32 S3 N31 . . 108.3(5) ?
O31 S3 N31 . . 117.2(5) ?
O32 S3 C43 . . 104.1(6) ?
O31 S3 C43 . . 102.5(6) ?
N31 S3 C43 . . 103.0(4) ?
F8 C43 F7 . . 109.8(11) ?
F8 C43 F9 . . 107.2(11) ?
F7 C43 F9 . . 107.1(11) ?
F8 C43 S3 . . 112.1(9) ?
F7 C43 S3 . . 109.4(9) ?
F9 C43 S3 . . 111.1(9) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Au1 C1 . 2.018(12) ?
Au1 O1 . 2.046(7) ?
Au1 Cl1 7 2.277(2) ?
Au1 Cl1 . 2.278(2) ?
Cl1 Ag3 7 2.684(3) ?
Au2 C6 . 1.982(7) ?
Au2 O1 . 2.010(3) ?
Au2 Cl3 . 2.271(2) ?
Au2 Cl2 . 2.276(2) ?
Au2 Ag3B . 3.234(7) ?
Cl2 Ag3 . 2.644(2) ?
Cl2 Ag3B . 2.754(8) ?
Cl3 Ag3B 7 2.302(8) ?
Cl3 Ag3 7 2.769(3) ?
O1 Au2 7 2.010(3) ?
Ag3 O11 . 2.340(7) ?
Ag3 Cl1 7 2.684(3) ?
Ag3 Cl3 7 2.769(3) ?
Ag3B Cl3 7 2.302(8) ?
Ag3B O11 . 2.342(10) ?
Ag3B C25 . 2.544(12) ?
Ag3B C26 . 2.587(13) ?
C1 N2 . 1.322(10) ?
C1 N2 7 1.322(10) ?
N2 C3 . 1.392(11) ?
N2 C11 . 1.452(13) ?
C3 C3 7 1.31(2) ?
C3 H3 . 0.9500 ?
C6 N10 . 1.327(10) ?
C6 N7 . 1.364(10) ?
N7 C8 . 1.375(11) ?
N7 C21 . 1.455(11) ?
C8 C9 . 1.340(14) ?
C8 H8 . 0.9500 ?
C9 N10 . 1.376(11) ?
C9 H9 . 0.9500 ?
N10 C31 . 1.450(11) ?
C11 C16 . 1.352(12) ?
C11 C12 . 1.400(14) ?
C12 C13 . 1.40(2) ?
C12 C17 . 1.484(16) ?
C13 C14 . 1.390(17) ?
C13 H13 . 0.9500 ?
C14 C15 . 1.349(14) ?
C14 C18 . 1.526(17) ?
C15 C16 . 1.389(14) ?
C15 H15 . 0.9500 ?
C16 C19 . 1.495(13) ?
C17 H17A . 0.9800 ?
C17 H17B . 0.9800 ?
C17 H17C . 0.9800 ?
C18 H18A . 0.9800 ?
C18 H18B . 0.9800 ?
C18 H18C . 0.9800 ?
C19 H19A . 0.9800 ?
C19 H19B . 0.9800 ?
C19 H19C . 0.9800 ?
C21 C22 . 1.376(12) ?
C21 C26 . 1.383(12) ?
C22 C23 . 1.406(13) ?
C22 C27 . 1.500(13) ?
C23 C24 . 1.376(13) ?
C23 H23 . 0.9500 ?
C24 C25 . 1.394(14) ?
C24 C28 . 1.516(13) ?
C25 C26 . 1.394(14) ?
C25 H25 . 0.9500 ?
C26 C29 . 1.457(14) ?
C27 H27A . 0.9800 ?
C27 H27B . 0.9800 ?
C27 H27C . 0.9800 ?
C28 H28A . 0.9800 ?
C28 H28B . 0.9800 ?
C28 H28C . 0.9800 ?
C29 H29A . 0.9800 ?
C29 H29B . 0.9800 ?
C29 H29C . 0.9800 ?
C31 C32 . 1.390(13) ?
C31 C36 . 1.395(13) ?
C32 C33 . 1.374(15) ?
C32 C37 . 1.504(14) ?
C33 C34 . 1.382(15) ?
C33 H33 . 0.9500 ?
C34 C35 . 1.385(15) ?
C34 C38 . 1.500(15) ?
C35 C36 . 1.385(14) ?
C35 H35 . 0.9500 ?
C36 C39 . 1.508(15) ?
C37 H37A . 0.9800 ?
C37 H37B . 0.9800 ?
C37 H37C . 0.9800 ?
C38 H38A . 0.9800 ?
C38 H38B . 0.9800 ?
C38 H38C . 0.9800 ?
C39 H39A . 0.9800 ?
C39 H39B . 0.9800 ?
C39 H39C . 0.9800 ?
N11 S1 . 1.555(9) ?
N11 S2 . 1.582(9) ?
S1 O11 . 1.411(8) ?
S1 O12 . 1.437(8) ?
S1 C41 . 1.812(13) ?
C41 F3 . 1.294(14) ?
C41 F2 . 1.303(14) ?
C41 F1 . 1.338(13) ?
S2 O22 . 1.418(7) ?
S2 O21 . 1.419(7) ?
S2 C42 . 1.821(10) ?
C42 F4 . 1.301(12) ?
C42 F5 . 1.301(13) ?
C42 F6 . 1.332(14) ?
N31 S3 7 1.590(6) ?
N31 S3 . 1.590(6) ?
S3 O32 . 1.420(7) ?
S3 O31 . 1.431(7) ?
S3 C43 . 1.818(12) ?
C43 F8 . 1.302(15) ?
C43 F7 . 1.318(14) ?
C43 F9 . 1.328(14) ?
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
C1 Au1 Cl1 Ag3 . . . 7 131.82(6) ?
O1 Au1 Cl1 Ag3 . . . 7 -48.18(6) ?
Cl1 Au1 Cl1 Ag3 7 . . 7 -48.18(6) ?
C6 Au2 Cl2 Ag3 . . . . 140.2(2) ?
O1 Au2 Cl2 Ag3 . . . . -40.19(15) ?
Cl3 Au2 Cl2 Ag3 . . . . -50.6(18) ?
Ag3B Au2 Cl2 Ag3 . . . . 39.12(19) ?
C6 Au2 Cl2 Ag3B . . . . 101.1(3) ?
O1 Au2 Cl2 Ag3B . . . . -79.3(2) ?
Cl3 Au2 Cl2 Ag3B . . . . -89.7(18) ?
C6 Au2 Cl3 Ag3B . . . 7 168.8(4) ?
O1 Au2 Cl3 Ag3B . . . 7 -10.8(3) ?
Cl2 Au2 Cl3 Ag3B . . . 7 -0.4(19) ?
Ag3B Au2 Cl3 Ag3B . . . 7 -87.8(2) ?
C6 Au2 Cl3 Ag3 . . . 7 136.3(2) ?
O1 Au2 Cl3 Ag3 . . . 7 -43.33(16) ?
Cl2 Au2 Cl3 Ag3 . . . 7 -32.9(18) ?
Ag3B Au2 Cl3 Ag3 . . . 7 -120.4(2) ?
C6 Au2 O1 Au2 . . . 7 18E1(10) ?
Cl3 Au2 O1 Au2 . . . 7 -53.29(8) ?
Cl2 Au2 O1 Au2 . . . 7 127.34(6) ?
Ag3B Au2 O1 Au2 . . . 7 70.74(14) ?
C6 Au2 O1 Au1 . . . . -0E1(3) ?
Cl3 Au2 O1 Au1 . . . . 126.71(8) ?
Cl2 Au2 O1 Au1 . . . . -52.66(6) ?
Ag3B Au2 O1 Au1 . . . . -109.26(14) ?
C1 Au1 O1 Au2 . . . . 45.730(10) ?
Cl1 Au1 O1 Au2 7 . . . 132.01(6) ?
Cl1 Au1 O1 Au2 . . . . -47.99(6) ?
C1 Au1 O1 Au2 . . . 7 -134.270(10) ?
Cl1 Au1 O1 Au2 7 . . 7 -47.99(6) ?
Cl1 Au1 O1 Au2 . . . 7 132.01(6) ?
Au2 Cl2 Ag3 O11 . . . . -125.6(2) ?
Ag3B Cl2 Ag3 O11 . . . . -57.9(3) ?
Au2 Cl2 Ag3 Cl1 . . . 7 79.04(10) ?
Ag3B Cl2 Ag3 Cl1 . . . 7 146.8(2) ?
Au2 Cl2 Ag3 Cl3 . . . 7 -21.24(9) ?
Ag3B Cl2 Ag3 Cl3 . . . 7 46.5(2) ?
Au2 Cl2 Ag3B Cl3 . . . 7 42.5(3) ?
Ag3 Cl2 Ag3B Cl3 . . . 7 -67.9(3) ?
Au2 Cl2 Ag3B O11 . . . . 167.0(3) ?
Ag3 Cl2 Ag3B O11 . . . . 56.6(3) ?
Au2 Cl2 Ag3B C25 . . . . -77.7(4) ?
Ag3 Cl2 Ag3B C25 . . . . 172.0(5) ?
Au2 Cl2 Ag3B C26 . . . . -75.1(3) ?
Ag3 Cl2 Ag3B C26 . . . . 174.5(4) ?
Ag3 Cl2 Ag3B Au2 . . . . -110.34(19) ?
C6 Au2 Ag3B Cl3 . . . 7 134.2(3) ?
O1 Au2 Ag3B Cl3 . . . 7 -46.3(3) ?
Cl3 Au2 Ag3B Cl3 . . . 7 35.1(3) ?
Cl2 Au2 Ag3B Cl3 . . . 7 -140.8(3) ?
C6 Au2 Ag3B O11 . . . . -106.6(7) ?
O1 Au2 Ag3B O11 . . . . 72.9(6) ?
Cl3 Au2 Ag3B O11 . . . . 154.3(5) ?
Cl2 Au2 Ag3B O11 . . . . -21.6(5) ?
C6 Au2 Ag3B C25 . . . . 36.2(4) ?
O1 Au2 Ag3B C25 . . . . -144.3(4) ?
Cl3 Au2 Ag3B C25 . . . . -62.9(4) ?
Cl2 Au2 Ag3B C25 . . . . 121.2(4) ?
C6 Au2 Ag3B C26 . . . . 16.4(3) ?
O1 Au2 Ag3B C26 . . . . -164.1(3) ?
Cl3 Au2 Ag3B C26 . . . . -82.7(3) ?
Cl2 Au2 Ag3B C26 . . . . 101.4(3) ?
C6 Au2 Ag3B Cl2 . . . . -85.0(3) ?
O1 Au2 Ag3B Cl2 . . . . 94.5(2) ?
Cl3 Au2 Ag3B Cl2 . . . . 175.88(11) ?
O1 Au1 C1 N2 . . . . -161.2(4) ?
Cl1 Au1 C1 N2 7 . . . 112.5(5) ?
Cl1 Au1 C1 N2 . . . . -67.5(5) ?
O1 Au1 C1 N2 . . . 7 18.8(4) ?
Cl1 Au1 C1 N2 7 . . 7 -67.5(5) ?
Cl1 Au1 C1 N2 . . . 7 112.5(5) ?
N2 C1 N2 C3 7 . . . 1.4(7) ?
Au1 C1 N2 C3 . . . . -178.7(7) ?
N2 C1 N2 C11 7 . . . 179.6(10) ?
Au1 C1 N2 C11 . . . . -0.4(10) ?
C1 N2 C3 C3 . . . 7 -3.7(19) ?
C11 N2 C3 C3 . . . 7 178.1(13) ?
O1 Au2 C6 N10 . . . . 4E1(3) ?
Cl3 Au2 C6 N10 . . . . -93.2(8) ?
Cl2 Au2 C6 N10 . . . . 86.2(8) ?
Ag3B Au2 C6 N10 . . . . 142.7(7) ?
O1 Au2 C6 N7 . . . . -14E1(3) ?
Cl3 Au2 C6 N7 . . . . 88.2(7) ?
Cl2 Au2 C6 N7 . . . . -92.4(7) ?
Ag3B Au2 C6 N7 . . . . -35.9(8) ?
N10 C6 N7 C8 . . . . 0.9(11) ?
Au2 C6 N7 C8 . . . . 179.7(7) ?
N10 C6 N7 C21 . . . . -176.8(8) ?
Au2 C6 N7 C21 . . . . 2.0(12) ?
C6 N7 C8 C9 . . . . -0.6(13) ?
C21 N7 C8 C9 . . . . 176.9(10) ?
N7 C8 C9 N10 . . . . 0.2(14) ?
N7 C6 N10 C9 . . . . -0.8(11) ?
Au2 C6 N10 C9 . . . . -179.6(7) ?
N7 C6 N10 C31 . . . . 177.1(8) ?
Au2 C6 N10 C31 . . . . -1.7(13) ?
C8 C9 N10 C6 . . . . 0.4(13) ?
C8 C9 N10 C31 . . . . -177.5(9) ?
C1 N2 C11 C16 . . . . -78.3(11) ?
C3 N2 C11 C16 . . . . 99.6(13) ?
C1 N2 C11 C12 . . . . 99.5(10) ?
C3 N2 C11 C12 . . . . -82.6(14) ?
C16 C11 C12 C13 . . . . 5.3(15) ?
N2 C11 C12 C13 . . . . -172.4(8) ?
C16 C11 C12 C17 . . . . -172.7(11) ?
N2 C11 C12 C17 . . . . 9.7(16) ?
C11 C12 C13 C14 . . . . 0.4(16) ?
C17 C12 C13 C14 . . . . 178.5(11) ?
C12 C13 C14 C15 . . . . -8.0(16) ?
C12 C13 C14 C18 . . . . 176.9(10) ?
C13 C14 C15 C16 . . . . 10.6(15) ?
C18 C14 C15 C16 . . . . -174.3(10) ?
C12 C11 C16 C15 . . . . -3.0(14) ?
N2 C11 C16 C15 . . . . 174.5(7) ?
C12 C11 C16 C19 . . . . 175.6(9) ?
N2 C11 C16 C19 . . . . -6.8(13) ?
C14 C15 C16 C11 . . . . -5.3(14) ?
C14 C15 C16 C19 . . . . 175.9(9) ?
C6 N7 C21 C22 . . . . -93.0(11) ?
C8 N7 C21 C22 . . . . 89.8(12) ?
C6 N7 C21 C26 . . . . 85.2(11) ?
C8 N7 C21 C26 . . . . -92.1(12) ?
C26 C21 C22 C23 . . . . -2.8(14) ?
N7 C21 C22 C23 . . . . 175.2(8) ?
C26 C21 C22 C27 . . . . 174.1(9) ?
N7 C21 C22 C27 . . . . -7.9(13) ?
C21 C22 C23 C24 . . . . -1.3(14) ?
C27 C22 C23 C24 . . . . -178.3(9) ?
C22 C23 C24 C25 . . . . 3.1(14) ?
C22 C23 C24 C28 . . . . -176.1(9) ?
C23 C24 C25 C26 . . . . -1.2(14) ?
C28 C24 C25 C26 . . . . 178.1(9) ?
C23 C24 C25 Ag3B . . . . -88.0(10) ?
C28 C24 C25 Ag3B . . . . 91.2(10) ?
Cl3 Ag3B C25 C24 7 . . . -1.4(8) ?
O11 Ag3B C25 C24 . . . . -121.8(7) ?
C26 Ag3B C25 C24 . . . . 119.8(10) ?
Cl2 Ag3B C25 C24 . . . . 124.7(7) ?
Au2 Ag3B C25 C24 . . . . 80.2(8) ?
Cl3 Ag3B C25 C26 7 . . . -121.2(6) ?
O11 Ag3B C25 C26 . . . . 118.4(6) ?
Cl2 Ag3B C25 C26 . . . . 4.9(7) ?
Au2 Ag3B C25 C26 . . . . -39.5(6) ?
C22 C21 C26 C25 . . . . 4.6(13) ?
N7 C21 C26 C25 . . . . -173.4(7) ?
C22 C21 C26 C29 . . . . -169.7(9) ?
N7 C21 C26 C29 . . . . 12.3(13) ?
C22 C21 C26 Ag3B . . . . 84.5(10) ?
N7 C21 C26 Ag3B . . . . -93.5(8) ?
C24 C25 C26 C21 . . . . -2.5(13) ?
Ag3B C25 C26 C21 . . . . 104.6(8) ?
C24 C25 C26 C29 . . . . 171.9(9) ?
Ag3B C25 C26 C29 . . . . -81.0(9) ?
C24 C25 C26 Ag3B . . . . -107.1(9) ?
Cl3 Ag3B C26 C21 7 . . . -44.0(8) ?
O11 Ag3B C26 C21 . . . . 174.9(6) ?
C25 Ag3B C26 C21 . . . . -112.1(9) ?
Cl2 Ag3B C26 C21 . . . . 72.0(6) ?
Au2 Ag3B C26 C21 . . . . 29.4(6) ?
Cl3 Ag3B C26 C25 7 . . . 68.0(6) ?
O11 Ag3B C26 C25 . . . . -73.1(7) ?
Cl2 Ag3B C26 C25 . . . . -175.9(6) ?
Au2 Ag3B C26 C25 . . . . 141.4(6) ?
Cl3 Ag3B C26 C29 7 . . . -170.1(6) ?
O11 Ag3B C26 C29 . . . . 48.8(8) ?
C25 Ag3B C26 C29 . . . . 121.8(9) ?
Cl2 Ag3B C26 C29 . . . . -54.1(6) ?
Au2 Ag3B C26 C29 . . . . -96.8(6) ?
C6 N10 C31 C32 . . . . -91.8(11) ?
C9 N10 C31 C32 . . . . 85.8(12) ?
C6 N10 C31 C36 . . . . 88.5(11) ?
C9 N10 C31 C36 . . . . -94.0(12) ?
C36 C31 C32 C33 . . . . -2.8(14) ?
N10 C31 C32 C33 . . . . 177.5(8) ?
C36 C31 C32 C37 . . . . 173.3(9) ?
N10 C31 C32 C37 . . . . -6.5(13) ?
C31 C32 C33 C34 . . . . 0.4(15) ?
C37 C32 C33 C34 . . . . -175.6(10) ?
C32 C33 C34 C35 . . . . 2.6(15) ?
C32 C33 C34 C38 . . . . -176.7(10) ?
C33 C34 C35 C36 . . . . -3.4(15) ?
C38 C34 C35 C36 . . . . 175.9(9) ?
C34 C35 C36 C31 . . . . 1.1(14) ?
C34 C35 C36 C39 . . . . 177.3(10) ?
C32 C31 C36 C35 . . . . 2.0(13) ?
N10 C31 C36 C35 . . . . -178.2(8) ?
C32 C31 C36 C39 . . . . -174.1(9) ?
N10 C31 C36 C39 . . . . 5.7(13) ?
S2 N11 S1 O11 . . . . 72.3(8) ?
S2 N11 S1 O12 . . . . -66.5(8) ?
S2 N11 S1 C41 . . . . -178.5(7) ?
O12 S1 O11 Ag3 . . . . -49.2(8) ?
N11 S1 O11 Ag3 . . . . 172.0(5) ?
C41 S1 O11 Ag3 . . . . 67.2(7) ?
O12 S1 O11 Ag3B . . . . 10.0(8) ?
N11 S1 O11 Ag3B . . . . -128.8(6) ?
C41 S1 O11 Ag3B . . . . 126.5(6) ?
Cl2 Ag3 O11 S1 . . . . 167.3(5) ?
Cl1 Ag3 O11 S1 7 . . . -54.0(8) ?
Cl3 Ag3 O11 S1 7 . . . 61.3(6) ?
Cl2 Ag3 O11 Ag3B . . . . 62.2(3) ?
Cl1 Ag3 O11 Ag3B 7 . . . -159.2(3) ?
Cl3 Ag3 O11 Ag3B 7 . . . -43.9(3) ?
Cl3 Ag3B O11 S1 7 . . . -43.7(8) ?
C25 Ag3B O11 S1 . . . . 65.9(7) ?
C26 Ag3B O11 S1 . . . . 97.0(6) ?
Cl2 Ag3B O11 S1 . . . . -166.3(5) ?
Au2 Ag3B O11 S1 . . . . -151.2(5) ?
Cl3 Ag3B O11 Ag3 7 . . . 65.7(4) ?
C25 Ag3B O11 Ag3 . . . . 175.2(4) ?
C26 Ag3B O11 Ag3 . . . . -153.6(5) ?
Cl2 Ag3B O11 Ag3 . . . . -56.9(2) ?
Au2 Ag3B O11 Ag3 . . . . -41.9(5) ?
O11 S1 C41 F3 . . . . -174.4(8) ?
O12 S1 C41 F3 . . . . -51.9(10) ?
N11 S1 C41 F3 . . . . 67.3(9) ?
O11 S1 C41 F2 . . . . 63.2(10) ?
O12 S1 C41 F2 . . . . -174.3(8) ?
N11 S1 C41 F2 . . . . -55.1(10) ?
O11 S1 C41 F1 . . . . -55.3(10) ?
O12 S1 C41 F1 . . . . 67.2(10) ?
N11 S1 C41 F1 . . . . -173.6(9) ?
S1 N11 S2 O22 . . . . 149.0(7) ?
S1 N11 S2 O21 . . . . 14.5(9) ?
S1 N11 S2 C42 . . . . -100.2(7) ?
O22 S2 C42 F4 . . . . 179.2(9) ?
O21 S2 C42 F4 . . . . -56.1(10) ?
N11 S2 C42 F4 . . . . 64.9(10) ?
O22 S2 C42 F5 . . . . 56.7(10) ?
O21 S2 C42 F5 . . . . -178.6(8) ?
N11 S2 C42 F5 . . . . -57.6(9) ?
O22 S2 C42 F6 . . . . -61.5(8) ?
O21 S2 C42 F6 . . . . 63.3(8) ?
N11 S2 C42 F6 . . . . -175.7(7) ?
S3 N31 S3 O32 7 . . . 160.1(4) ?
S3 N31 S3 O31 7 . . . 21.6(4) ?
S3 N31 S3 C43 7 . . . -90.0(5) ?
O32 S3 C43 F8 . . . . 171.7(9) ?
O31 S3 C43 F8 . . . . -63.4(10) ?
N31 S3 C43 F8 . . . . 58.7(10) ?
O32 S3 C43 F7 . . . . -66.3(11) ?
O31 S3 C43 F7 . . . . 58.6(11) ?
N31 S3 C43 F7 . . . . -179.3(10) ?
O32 S3 C43 F9 . . . . 51.8(11) ?
O31 S3 C43 F9 . . . . 176.6(9) ?
N31 S3 C43 F9 . . . . -61.2(11) ?
