#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:24:09 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178781 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/35/4103531.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_4103531
loop_
_publ_author_name
'John A. Schlueter'
'Leonore Wiehl'
'Hyunsoo Park'
'Mariano de Souza'
'Michael Lang'
'Hyun-Joo Koo'
'Myung-Hwan Whangbo'
_publ_contact_author_address
;
Materials Science Division
Argonne National Laboratory
9700 S. Cass Ave.
Argonne, IL 60439
;
_publ_contact_author_email       jaschlueter@anl.gov
_publ_contact_author_fax         630-252-9151
_publ_contact_author_name        'John A. Schlueter'
_publ_contact_author_phone       630-252-3588
_publ_section_title
;
 Enhanced Critical Temperature in a Dual-Layered Molecular Superconductor
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              16308
_journal_page_last               16310
_journal_paper_doi               10.1021/ja105854m
_journal_volume                  132
_journal_year                    2010
_chemical_formula_moiety         'C4 Ag F12, 2(C10 H8 S8), C2 H3 Cl3 '
_chemical_formula_sum            'C26 H19 Ag Cl3 F12 S16'
_chemical_formula_weight         1286.59
_chemical_name_common
;
Bis(ethylenedithio)tetrathiafulvalene tetrakis(trifluoromethyl)argentate(III)
1,1,2-trichloroethane 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'manual editing of SHELXL-97 cif file'
_cell_angle_alpha                90.220(4)
_cell_angle_beta                 91.244(5)
_cell_angle_gamma                90.444(5)
_cell_formula_units_Z            4
_cell_length_a                   8.4136(6)
_cell_length_b                   13.2172(7)
_cell_length_c                   37.7991(16)
_cell_measurement_reflns_used    26521
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      23.43
_cell_measurement_theta_min      9.18
_cell_volume                     4202.3(4)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_detector_area_resol_mean 15.9682
_diffrn_measured_fraction_theta_full 0.689
_diffrn_measured_fraction_theta_max 0.689
_diffrn_measurement_device_type  'Oxford Diffraction Xcalibur3, Sapphire3 CCD'
_diffrn_measurement_method       'phi and omega'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0712
_diffrn_reflns_av_sigmaI/netI    0.0526
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       42
_diffrn_reflns_limit_l_min       -41
_diffrn_reflns_number            26521
_diffrn_reflns_theta_full        23.43
_diffrn_reflns_theta_max         23.43
_diffrn_reflns_theta_min         9.18
_exptl_absorpt_coefficient_mu    1.545
_exptl_absorpt_correction_T_max  0.948
_exptl_absorpt_correction_T_min  0.812
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.8 (release 12-01-2007 CrysAlis171 .NET)
(compiled Jan 12 2007,17:49:11)
Analytical numeric absorption correction using a multifaceted crystal
model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.034
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2548
_exptl_crystal_size_max          0.4933
_exptl_crystal_size_mid          0.0829
_exptl_crystal_size_min          0.0352
_refine_diff_density_max         2.336
_refine_diff_density_min         -1.044
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1045
_refine_ls_number_reflns         8521
_refine_ls_number_restraints     36
_refine_ls_restrained_S_all      1.105
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0645
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0266P)²+54.5857P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1335
_reflns_number_gt                7164
_reflns_number_total             8521
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja105854m_si_002.cif
_cod_data_source_block           ka(ET)2[Ag(CF3)4](TCE)
_cod_database_code               4103531
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
S1 S 0.7309(3) 0.52845(17) -0.01554(6) 0.0176(6) Uani 1 1 d .
S2 S 0.9677(3) 0.40317(17) -0.05132(6) 0.0179(6) Uani 1 1 d .
S3 S 0.7343(3) 0.38271(17) 0.05041(5) 0.0170(6) Uani 1 1 d .
S4 S 0.9792(3) 0.25496(17) 0.01882(6) 0.0174(6) Uani 1 1 d .
S5 S 0.6595(3) 0.65824(19) -0.07634(6) 0.0234(7) Uani 1 1 d .
S6 S 0.9422(3) 0.5078(2) -0.11981(6) 0.0279(7) Uani 1 1 d .
S7 S 0.6914(3) 0.25669(18) 0.11400(6) 0.0201(7) Uani 1 1 d .
S8 S 0.9956(3) 0.10826(18) 0.07695(6) 0.0212(7) Uani 1 1 d .
C1 C 0.8545(12) 0.4229(7) -0.0141(2) 0.013(2) Uani 1 1 d .
C2 C 0.8573(12) 0.3605(7) 0.0147(2) 0.013(2) Uani 1 1 d U
C3 C 0.7693(13) 0.5571(7) -0.0598(2) 0.018(3) Uani 1 1 d .
C4 C 0.8779(13) 0.5000(8) -0.0760(2) 0.021(3) Uani 1 1 d .
C5 C 0.7898(13) 0.2746(7) 0.0740(2) 0.015(2) Uani 1 1 d .
C6 C 0.9042(13) 0.2169(7) 0.0597(2) 0.017(3) Uani 1 1 d .
C7 C 0.7606(15) 0.6837(8) -0.1171(2) 0.023(3) Uani 1 1 d .
H7A H 0.6954 0.7308 -0.1315 0.027 Uiso 1 1 calc R
H7B H 0.8631 0.7179 -0.1114 0.027 Uiso 1 1 calc R
C8 C 0.7924(14) 0.5894(8) -0.1390(2) 0.026(3) Uani 1 1 d .
H8A H 0.8265 0.6104 -0.1628 0.031 Uiso 1 1 calc R
H8B H 0.6920 0.5504 -0.1420 0.031 Uiso 1 1 calc R
C9 C 0.8346(13) 0.1772(8) 0.1368(2) 0.023(3) Uani 1 1 d .
H9A H 0.9326 0.2172 0.1417 0.028 Uiso 1 1 calc R
H9B H 0.7907 0.1565 0.1598 0.028 Uiso 1 1 calc R
C10 C 0.8778(14) 0.0822(8) 0.1159(3) 0.023(3) Uani 1 1 d .
H10A H 0.7786 0.0468 0.1083 0.028 Uiso 1 1 calc R
H10B H 0.9381 0.0361 0.1317 0.028 Uiso 1 1 calc R
S11 S 0.7642(3) 1.02839(17) -0.01561(6) 0.0173(6) Uani 1 1 d .
S12 S 0.5181(3) 0.90123(17) -0.05085(6) 0.0169(6) Uani 1 1 d .
S13 S 0.7764(3) 0.88344(17) 0.05037(6) 0.0167(6) Uani 1 1 d .
S14 S 0.5207(3) 0.75451(17) 0.01996(6) 0.0177(6) Uani 1 1 d .
S15 S 0.8275(3) 1.15545(19) -0.07726(6) 0.0223(6) Uani 1 1 d .
S16 S 0.5364(4) 1.0012(2) -0.12040(6) 0.0263(7) Uani 1 1 d .
S17 S 0.8342(3) 0.75845(19) 0.11391(6) 0.0209(6) Uani 1 1 d .
S18 S 0.5187(3) 0.60843(18) 0.07846(6) 0.0205(6) Uani 1 1 d .
C11 C 0.6414(12) 0.9219(7) -0.0137(2) 0.016(2) Uani 1 1 d .
C12 C 0.6447(13) 0.8598(7) 0.0151(2) 0.015(2) Uani 1 1 d .
C13 C 0.7192(14) 1.0552(7) -0.0602(2) 0.019(3) Uani 1 1 d .
C14 C 0.6068(13) 0.9961(7) -0.0764(2) 0.016(3) Uani 1 1 d .
C15 C 0.7266(13) 0.7757(7) 0.0746(2) 0.016(3) Uani 1 1 d .
C16 C 0.6073(13) 0.7171(7) 0.0607(2) 0.015(3) Uani 1 1 d .
C17 C 0.7176(14) 1.1792(8) -0.1179(2) 0.023(3) Uani 1 1 d .
H17A H 0.6151 1.2110 -0.1122 0.027 Uiso 1 1 calc R
H17B H 0.7784 1.2277 -0.1323 0.027 Uiso 1 1 calc R
C18 C 0.6847(14) 1.0843(7) -0.1396(2) 0.019(3) Uani 1 1 d .
H18A H 0.7851 1.0465 -0.1421 0.023 Uiso 1 1 calc R
H18B H 0.6478 1.1041 -0.1637 0.023 Uiso 1 1 calc R
C19 C 0.6983(14) 0.6788(8) 0.1375(2) 0.022(3) Uani 1 1 d .
H19A H 0.7502 0.6572 0.1599 0.027 Uiso 1 1 calc R
H19B H 0.6036 0.7188 0.1435 0.027 Uiso 1 1 calc R
C20 C 0.6449(13) 0.5864(8) 0.1171(3) 0.021(3) Uani 1 1 d .
H20A H 0.5870 0.5413 0.1333 0.025 Uiso 1 1 calc R
H20B H 0.7406 0.5498 0.1094 0.025 Uiso 1 1 calc R
S21 S 0.5666(3) 0.13945(17) 0.47242(6) 0.0178(6) Uani 1 1 d .
S22 S 0.6247(3) -0.07728(17) 0.45737(6) 0.0162(6) Uani 1 1 d .
S23 S 0.7575(3) 0.21550(17) 0.41315(6) 0.0202(6) Uani 1 1 d .
S24 S 0.8119(3) -0.04104(17) 0.39330(6) 0.0188(6) Uani 1 1 d .
C21 C 0.5422(13) 0.0127(7) 0.4856(2) 0.014(2) Uani 1 1 d .
C22 C 0.6895(13) 0.1098(7) 0.4366(2) 0.016(3) Uani 1 1 d .
C23 C 0.7138(13) 0.0136(7) 0.4295(2) 0.015(2) Uani 1 1 d .
C24 C 0.7747(15) 0.1586(8) 0.3696(2) 0.024(3) Uani 1 1 d .
H24A H 0.6681 0.1361 0.3610 0.029 Uiso 1 1 calc R
H24B H 0.8143 0.2101 0.3529 0.029 Uiso 1 1 calc R
C25 C 0.8860(15) 0.0689(8) 0.3697(3) 0.026(3) Uani 1 1 d .
H25A H 0.9890 0.0901 0.3807 0.031 Uiso 1 1 calc R
H25B H 0.9059 0.0491 0.3449 0.031 Uiso 1 1 calc R
S31 S 0.1335(3) 0.07557(17) 0.45886(6) 0.0173(6) Uani 1 1 d .
S32 S 0.0666(3) -0.13742(17) 0.47244(6) 0.0187(6) Uani 1 1 d .
S33 S 0.3218(3) 0.03829(17) 0.39436(6) 0.0179(6) Uani 1 1 d .
S34 S 0.2399(4) -0.21793(18) 0.41220(7) 0.0292(8) Uani 1 1 d .
C31 C 0.0434(12) -0.0129(7) 0.4854(2) 0.014(2) Uani 1 1 d .
C32 C 0.2158(12) -0.0119(7) 0.4297(2) 0.012(2) Uani 1 1 d .
C33 C 0.1852(13) -0.1108(7) 0.4365(2) 0.017(2) Uani 1 1 d .
C34 C 0.3080(14) -0.0682(7) 0.3639(2) 0.022(3) Uani 1 1 d .
H34A H 0.1954 -0.0782 0.3565 0.026 Uiso 1 1 calc R
H34B H 0.3687 -0.0518 0.3425 0.026 Uiso 1 1 calc R
C35 C 0.3701(14) -0.1654(8) 0.3794(2) 0.024(3) Uani 1 1 d .
H35A H 0.4762 -0.1526 0.3904 0.028 Uiso 1 1 calc R
H35B H 0.3828 -0.2154 0.3601 0.028 Uiso 1 1 calc R
S41 S 0.5864(4) 0.63973(17) 0.47538(6) 0.0233(7) Uani 1 1 d .
S42 S 0.6031(3) 0.42297(17) 0.45445(6) 0.0197(6) Uani 1 1 d .
S43 S 0.7849(3) 0.71531(18) 0.41822(6) 0.0223(7) Uani 1 1 d .
S44 S 0.7762(4) 0.46789(18) 0.38756(6) 0.0267(7) Uani 1 1 d .
C41 C 0.5401(13) 0.5122(7) 0.4857(2) 0.017(2) Uani 1 1 d .
C42 C 0.6958(13) 0.6081(7) 0.4378(2) 0.019(3) Uani 1 1 d .
C43 C 0.6993(12) 0.5119(7) 0.4276(2) 0.014(2) Uani 1 1 d .
C44 C 0.8347(16) 0.6708(8) 0.3744(3) 0.030(3) Uani 1 1 d .
H44A H 0.8197 0.7268 0.3574 0.036 Uiso 1 1 calc R
H44B H 0.9485 0.6523 0.3745 0.036 Uiso 1 1 calc R
C45 C 0.7383(15) 0.5819(7) 0.3618(2) 0.026(3) Uani 1 1 d .
H45A H 0.7621 0.5682 0.3367 0.031 Uiso 1 1 calc R
H45B H 0.6241 0.5987 0.3631 0.031 Uiso 1 1 calc R
S51 S 0.1396(3) 0.56911(17) 0.45863(6) 0.0199(6) Uani 1 1 d .
S52 S 0.0315(3) 0.36182(18) 0.46973(6) 0.0215(7) Uani 1 1 d .
S53 S 0.2907(4) 0.53035(18) 0.39055(6) 0.0268(7) Uani 1 1 d .
S54 S 0.1635(4) 0.27969(19) 0.40407(7) 0.0350(9) Uani 1 1 d .
C51 C 0.0384(13) 0.4856(7) 0.4849(2) 0.018(2) Uani 1 1 d .
C52 C 0.1886(13) 0.4814(7) 0.4260(2) 0.020(3) Uani 1 1 d .
C53 C 0.1383(14) 0.3851(7) 0.4317(2) 0.022(3) Uani 1 1 d .
C54 C 0.3004(16) 0.4216(8) 0.3614(2) 0.030(3) Uani 1 1 d .
H54A H 0.1987 0.4160 0.3478 0.035 Uiso 1 1 calc R
H54B H 0.3856 0.4337 0.3442 0.035 Uiso 1 1 calc R
C55 C 0.3313(15) 0.3224(8) 0.3796(3) 0.029(3) Uani 1 1 d .
H55A H 0.4243 0.3301 0.3959 0.035 Uiso 1 1 calc R
H55B H 0.3575 0.2706 0.3617 0.035 Uiso 1 1 calc R
Ag6 Ag 0.24115(10) 0.67366(5) 0.250305(17) 0.0177(2) Uani 1 1 d .
C61 C 0.3893(15) 0.6376(8) 0.2092(3) 0.023(3) Uani 1 1 d U
F61 F 0.4238(16) 0.5454(7) 0.2043(2) 0.096(4) Uani 1 1 d .
F62 F 0.5546(13) 0.6563(9) 0.2188(3) 0.086(3) Uani 1 1 d .
F63 F 0.368(2) 0.6760(16) 0.1802(3) 0.231(13) Uani 1 1 d .
C62 C 0.0652(18) 0.7208(9) 0.2126(3) 0.035(3) Uani 1 1 d U
F64 F 0.0704(14) 0.6652(8) 0.1817(3) 0.081(3) Uani 1 1 d .
F65 F 0.1017(11) 0.8069(7) 0.1969(2) 0.073(3) Uani 1 1 d .
F66 F -0.0784(11) 0.7067(8) 0.2189(2) 0.072(3) Uani 1 1 d .
C63 C 0.090(2) 0.7242(14) 0.2892(4) 0.056(4) Uani 1 1 d U
F67 F -0.0488(11) 0.6711(6) 0.29157(19) 0.052(2) Uani 1 1 d .
F68 F 0.0163(16) 0.8182(9) 0.2798(3) 0.100(4) Uani 1 1 d .
F69 F 0.1395(10) 0.7596(6) 0.3178(2) 0.053(2) Uani 1 1 d .
C64 C 0.4033(17) 0.6178(9) 0.2862(3) 0.027(3) Uani 1 1 d U
F70 F 0.4640(11) 0.5290(6) 0.28120(19) 0.057(2) Uani 1 1 d .
F71 F 0.3734(18) 0.6176(10) 0.31909(19) 0.131(6) Uani 1 1 d .
F72 F 0.531(2) 0.6834(12) 0.2918(4) 0.145(5) Uani 1 1 d U
Ag7 Ag 0.30499(9) 0.16995(5) 0.250519(16) 0.0150(2) Uani 1 1 d .
C71 C 0.4711(16) 0.2243(8) 0.2150(3) 0.026(3) Uani 1 1 d .
F81 F 0.5378(10) 0.1533(5) 0.19484(19) 0.051(2) Uani 1 1 d .
F82 F 0.4109(8) 0.2928(5) 0.19220(16) 0.0376(18) Uani 1 1 d .
F83 F 0.5992(11) 0.2745(7) 0.22958(18) 0.059(2) Uani 1 1 d .
C72 C 0.1470(14) 0.1366(8) 0.2087(3) 0.021(3) Uani 1 1 d .
F84 F 0.0761(9) 0.0458(5) 0.21172(16) 0.0368(17) Uani 1 1 d .
F85 F 0.2073(8) 0.1345(5) 0.17541(13) 0.0307(16) Uani 1 1 d .
F86 F 0.0267(9) 0.2048(6) 0.20545(16) 0.048(2) Uani 1 1 d .
C73 C 0.1330(14) 0.1312(8) 0.2862(2) 0.023(3) Uani 1 1 d .
F87 F 0.1385(8) 0.0323(4) 0.29741(16) 0.0345(18) Uani 1 1 d .
F88 F -0.0246(8) 0.1390(5) 0.27431(15) 0.0299(16) Uani 1 1 d .
F89 F 0.1313(8) 0.1863(5) 0.31625(14) 0.0328(17) Uani 1 1 d .
C74 C 0.4697(14) 0.1880(7) 0.2920(2) 0.021(3) Uani 1 1 d .
F90 F 0.4364(7) 0.1347(4) 0.32209(13) 0.0246(15) Uani 1 1 d .
F91 F 0.4844(8) 0.2866(4) 0.30371(15) 0.0288(16) Uani 1 1 d .
F92 F 0.6198(7) 0.1595(4) 0.28508(14) 0.0256(16) Uani 1 1 d .
C81 C 0.9200(14) 0.3850(8) 0.2567(3) 0.025(3) Uani 1 1 d .
H81 H 0.8948 0.3157 0.2474 0.030 Uiso 1 1 calc R
C82 C 0.8137(15) 0.4613(8) 0.2384(2) 0.029(3) Uani 1 1 d .
H82B H 0.8471 0.5307 0.2452 0.034 Uiso 1 1 calc R
H82A H 0.7023 0.4510 0.2455 0.034 Uiso 1 1 calc R
Cl81 Cl 0.8795(4) 0.3904(2) 0.30313(6) 0.0347(8) Uani 1 1 d .
Cl82 Cl 1.1261(4) 0.4132(2) 0.25042(8) 0.0355(7) Uani 1 1 d .
Cl83 Cl 0.8285(4) 0.4449(2) 0.19129(6) 0.0336(8) Uani 1 1 d .
C91 C 0.6310(15) 0.8886(8) 0.2575(3) 0.027(3) Uani 1 1 d .
H91 H 0.6551 0.8168 0.2512 0.032 Uiso 1 1 calc R
C92 C 0.7330(15) 0.9574(8) 0.2365(3) 0.030(3) Uani 1 1 d .
H92B H 0.8454 0.9500 0.2442 0.036 Uiso 1 1 calc R
H92A H 0.7017 1.0284 0.2406 0.036 Uiso 1 1 calc R
Cl91 Cl 0.6743(4) 0.9087(2) 0.30376(6) 0.0320(7) Uani 1 1 d .
Cl92 Cl 0.4239(3) 0.9121(2) 0.24864(7) 0.0316(7) Uani 1 1 d .
Cl93 Cl 0.7132(4) 0.9287(2) 0.19043(6) 0.0287(7) Uani 1 1 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'
S S 0.1246 0.1234 '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'
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'
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
C1 S1 C3 94.8(4) .
C1 S2 C4 94.8(4) .
C2 S3 C5 95.6(4) .
C2 S4 C6 95.0(4) .
C3 S5 C7 101.2(4) .
C4 S6 C8 100.8(4) .
C5 S7 C9 99.6(4) .
C6 S8 C10 102.3(4) .
C2 C1 S2 123.6(6) .
C2 C1 S1 120.8(6) .
S2 C1 S1 115.7(4) .
C1 C2 S4 124.0(6) .
C1 C2 S3 120.8(6) .
S4 C2 S3 115.2(5) .
C4 C3 S5 129.3(7) .
C4 C3 S1 116.9(6) .
S5 C3 S1 113.8(5) .
C3 C4 S2 117.5(6) .
C3 C4 S6 128.4(7) .
S2 C4 S6 114.1(5) .
C6 C5 S3 116.6(6) .
C6 C5 S7 128.3(6) .
S3 C5 S7 115.1(5) .
C5 C6 S4 117.5(6) .
C5 C6 S8 128.9(6) .
S4 C6 S8 113.6(5) .
C8 C7 S5 113.8(7) .
C8 C7 H7A 108.8 .
S5 C7 H7A 108.8 .
C8 C7 H7B 108.8 .
S5 C7 H7B 108.8 .
H7A C7 H7B 107.7 .
C7 C8 S6 113.9(8) .
C7 C8 H8A 108.8 .
S6 C8 H8A 108.8 .
C7 C8 H8B 108.8 .
S6 C8 H8B 108.8 .
H8A C8 H8B 107.7 .
C10 C9 S7 113.5(8) .
C10 C9 H9A 108.9 .
S7 C9 H9A 108.9 .
C10 C9 H9B 108.9 .
S7 C9 H9B 108.9 .
H9A C9 H9B 107.7 .
C9 C10 S8 113.7(7) .
C9 C10 H10A 108.8 .
S8 C10 H10A 108.8 .
C9 C10 H10B 108.8 .
S8 C10 H10B 108.8 .
H10A C10 H10B 107.7 .
C11 S11 C13 95.2(5) .
C11 S12 C14 94.8(5) .
C12 S13 C15 96.1(5) .
C12 S14 C16 94.8(5) .
C13 S15 C17 101.0(5) .
C14 S16 C18 100.6(5) .
C15 S17 C19 100.3(5) .
C16 S18 C20 101.5(5) .
C12 C11 S11 121.1(8) .
C12 C11 S12 123.6(8) .
S11 C11 S12 115.3(5) .
C11 C12 S13 120.6(8) .
C11 C12 S14 124.1(8) .
S13 C12 S14 115.3(5) .
C14 C13 S15 129.0(7) .
C14 C13 S11 116.7(7) .
S15 C13 S11 114.2(7) .
C13 C14 S16 128.4(7) .
C13 C14 S12 117.1(6) .
S16 C14 S12 114.4(7) .
C16 C15 S17 128.3(7) .
C16 C15 S13 116.0(6) .
S17 C15 S13 115.7(7) .
C15 C16 S18 128.8(7) .
C15 C16 S14 117.7(7) .
S18 C16 S14 113.4(7) .
C18 C17 S15 113.3(6) .
C18 C17 H17A 108.9 .
S15 C17 H17A 108.9 .
C18 C17 H17B 108.9 .
S15 C17 H17B 108.9 .
H17A C17 H17B 107.7 .
C17 C18 S16 113.3(6) .
C17 C18 H18A 108.9 .
S16 C18 H18A 108.9 .
C17 C18 H18B 108.9 .
S16 C18 H18B 108.9 .
H18A C18 H18B 107.7 .
C20 C19 S17 113.7(7) .
C20 C19 H19A 108.8 .
S17 C19 H19A 108.8 .
C20 C19 H19B 108.8 .
S17 C19 H19B 108.8 .
H19A C19 H19B 107.7 .
C19 C20 S18 116.1(6) .
C19 C20 H20A 108.2 .
S18 C20 H20A 108.2 .
C19 C20 H20B 108.2 .
S18 C20 H20B 108.2 .
H20A C20 H20B 107.4 .
C21 S21 C22 94.5(4) .
C21 S22 C23 94.6(4) .
C22 S23 C24 99.5(5) .
C23 S24 C25 102.9(4) .
C21 C21 S22 122.9(9) 2_656
C21 C21 S21 122.0(9) 2_656
S22 C21 S21 115.0(5) .
C23 C22 S23 127.6(7) .
C23 C22 S21 118.0(7) .
S23 C22 S21 114.3(5) .
C22 C23 S24 129.2(7) .
C22 C23 S22 117.5(7) .
S24 C23 S22 113.2(5) .
C25 C24 S23 112.4(7) .
C25 C24 H24A 109.1 .
S23 C24 H24A 109.1 .
C25 C24 H24B 109.1 .
S23 C24 H24B 109.1 .
H24A C24 H24B 107.8 .
C24 C25 S24 114.3(8) .
C24 C25 H25A 108.7 .
S24 C25 H25A 108.7 .
C24 C25 H25B 108.7 .
S24 C25 H25B 108.7 .
H25A C25 H25B 107.6 .
C31 S31 C32 96.0(4) .
C31 S32 C33 95.8(4) .
C32 S33 C34 99.6(5) .
C33 S34 C35 102.8(5) .
C31 C31 S31 123.0(9) 2_556
C31 C31 S32 121.9(10) 2_556
S31 C31 S32 115.1(5) .
C33 C32 S31 116.0(6) .
C33 C32 S33 127.5(6) .
S31 C32 S33 116.4(5) .
C32 C33 S32 117.1(6) .
C32 C33 S34 128.6(7) .
S32 C33 S34 114.1(5) .
C35 C34 S33 113.4(7) .
C35 C34 H34A 108.9 .
S33 C34 H34A 108.9 .
C35 C34 H34B 108.9 .
S33 C34 H34B 108.9 .
H34A C34 H34B 107.7 .
C34 C35 S34 112.6(7) .
C34 C35 H35A 109.1 .
S34 C35 H35A 109.1 .
C34 C35 H35B 109.1 .
S34 C35 H35B 109.1 .
H35A C35 H35B 107.8 .
C42 S41 C41 94.1(4) .
C41 S42 C43 95.1(4) .
C42 S43 C44 103.4(5) .
C43 S44 C45 97.0(4) .
C41 C41 S42 123.5(10) 2_666
C41 C41 S41 121.7(9) 2_666
S42 C41 S41 114.7(5) .
C43 C42 S41 118.5(7) .
C43 C42 S43 129.1(7) .
S41 C42 S43 112.4(5) .
C42 C43 S44 125.2(7) .
C42 C43 S42 117.3(7) .
S44 C43 S42 117.3(5) .
C45 C44 S43 114.0(7) .
C45 C44 H44A 108.7 .
S43 C44 H44A 108.7 .
C45 C44 H44B 108.7 .
S43 C44 H44B 108.7 .
H44A C44 H44B 107.6 .
C44 C45 S44 113.1(8) .
C44 C45 H45A 109.0 .
S44 C45 H45A 109.0 .
C44 C45 H45B 109.0 .
S44 C45 H45B 109.0 .
H45A C45 H45B 107.8 .
C51 S51 C52 96.3(5) .
C51 S52 C53 95.4(5) .
C52 S53 C54 101.9(5) .
C53 S54 C55 99.6(5) .
C51 C51 S51 123.3(10) 2_566
C51 C51 S52 121.4(11) 2_566
S51 C51 S52 115.2(5) .
C53 C52 S53 129.1(7) .
C53 C52 S51 115.5(7) .
S53 C52 S51 115.3(6) .
C52 C53 S52 117.5(7) .
C52 C53 S54 127.4(7) .
S52 C53 S54 115.1(6) .
C55 C54 S53 115.0(7) .
C55 C54 H54A 108.5 .
S53 C54 H54A 108.5 .
C55 C54 H54B 108.5 .
S53 C54 H54B 108.5 .
H54A C54 H54B 107.5 .
C54 C55 S54 112.2(8) .
C54 C55 H55A 109.2 .
S54 C55 H55A 109.2 .
C54 C55 H55B 109.2 .
S54 C55 H55B 109.2 .
H55A C55 H55B 107.9 .
C64 Ag6 C61 90.5(4) .
C64 Ag6 C63 93.4(5) .
C61 Ag6 C63 174.2(5) .
C64 Ag6 C62 175.8(5) .
C61 Ag6 C62 89.3(4) .
C63 Ag6 C62 87.1(5) .
F63 C61 F61 107.6(12) .
F63 C61 F62 106.3(13) .
F61 C61 F62 88.3(10) .
F63 C61 Ag6 119.8(8) .
F61 C61 Ag6 118.5(7) .
F62 C61 Ag6 111.4(7) .
F66 C62 F65 116.3(10) .
F66 C62 F64 97.8(13) .
F65 C62 F64 93.6(9) .
F66 C62 Ag6 119.3(7) .
F65 C62 Ag6 113.2(11) .
F64 C62 Ag6 111.9(7) .
F69 C63 F67 114.0(13) .
F69 C63 F68 91.7(12) .
F67 C63 F68 95.5(12) .
F69 C63 Ag6 122.4(13) .
F67 C63 Ag6 114.9(11) .
F68 C63 Ag6 111.9(10) .
F71 C64 F70 103.0(8) .
F71 C64 F72 91.3(14) .
F70 C64 F72 106.1(12) .
F71 C64 Ag6 120.4(9) .
F70 C64 Ag6 119.7(8) .
F72 C64 Ag6 112.1(7) .
C73 Ag7 C74 90.0(4) .
C73 Ag7 C71 174.1(4) .
C74 Ag7 C71 90.2(4) .
C73 Ag7 C72 90.0(4) .
C74 Ag7 C72 174.2(4) .
C71 Ag7 C72 90.4(5) .
F81 C71 F82 105.5(8) .
F81 C71 F83 103.2(9) .
F82 C71 F83 102.5(9) .
F81 C71 Ag7 114.9(8) .
F82 C71 Ag7 113.3(8) .
F83 C71 Ag7 115.9(6) .
F84 C72 F86 105.8(10) .
F84 C72 F85 103.7(8) .
F86 C72 F85 102.7(7) .
F84 C72 Ag7 113.1(6) .
F86 C72 Ag7 113.0(7) .
F85 C72 Ag7 117.3(8) .
F89 C73 F87 104.5(7) .
F89 C73 F88 101.5(7) .
F87 C73 F88 101.7(9) .
F89 C73 Ag7 116.1(8) .
F87 C73 Ag7 114.6(6) .
F88 C73 Ag7 116.5(6) .
F92 C74 F90 102.9(7) .
F92 C74 F91 104.7(10) .
F90 C74 F91 103.7(7) .
F92 C74 Ag7 115.7(6) .
F90 C74 Ag7 115.1(8) .
F91 C74 Ag7 113.3(6) .
C82 C81 Cl82 111.6(8) .
C82 C81 Cl81 107.5(6) .
Cl82 C81 Cl81 109.1(6) .
C82 C81 H81 109.5 .
Cl82 C81 H81 109.5 .
Cl81 C81 H81 109.5 .
C81 C82 Cl83 108.8(6) .
C81 C82 H82B 109.9 .
Cl83 C82 H82B 109.9 .
C81 C82 H82A 109.9 .
Cl83 C82 H82A 109.9 .
H82B C82 H82A 108.3 .
C92 C91 Cl92 111.0(7) .
C92 C91 Cl91 109.0(9) .
Cl92 C91 Cl91 109.3(5) .
C92 C91 H91 109.2 .
Cl92 C91 H91 109.2 .
Cl91 C91 H91 109.2 .
C91 C92 Cl93 110.6(9) .
C91 C92 H92B 109.5 .
Cl93 C92 H92B 109.5 .
C91 C92 H92A 109.5 .
Cl93 C92 H92A 109.5 .
H92B C92 H92A 108.1 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 C1 1.747(8) .
S1 C3 1.755(8) .
S2 C1 1.736(8) .
S2 C4 1.753(9) .
S3 C2 1.744(8) .
S3 C5 1.747(8) .
S4 C2 1.742(9) .
S4 C6 1.754(8) .
S5 C3 1.740(9) .
S5 C7 1.807(9) .
S6 C4 1.755(9) .
S6 C8 1.807(10) .
S7 C5 1.757(9) .
S7 C9 1.810(9) .
S8 C6 1.756(8) .
S8 C10 1.824(10) .
C1 C2 1.369(12) .
C3 C4 1.346(13) .
C5 C6 1.353(13) .
C7 C8 1.523(15) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C10 1.532(15) .
C9 H9A 0.9900 .
C9 H9B 0.9900 .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
S11 C11 1.743(11) .
S11 C13 1.756(9) .
S12 C11 1.747(10) .
S12 C14 1.758(10) .
S13 C12 1.741(10) .
S13 C15 1.750(9) .
S14 C12 1.746(11) .
S14 C16 1.763(9) .
S15 C13 1.737(11) .
S15 C17 1.806(10) .
S16 C14 1.755(10) .
S16 C18 1.821(11) .
S17 C15 1.739(10) .
S17 C19 1.801(11) .
S18 C16 1.756(10) .
S18 C20 1.813(10) .
C11 C12 1.365(12) .
C13 C14 1.357(16) .
C15 C16 1.359(15) .
C17 C18 1.517(16) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
C19 C20 1.502(17) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
S21 C21 1.761(9) .
S21 C22 1.765(8) .
S22 C21 1.753(9) .
S22 C23 1.775(10) .
S23 C22 1.756(10) .
S23 C24 1.818(10) .
S24 C23 1.767(8) .
S24 C25 1.821(11) .
C21 C21 1.352(18) 2_656
C22 C23 1.317(13) .
C24 C25 1.516(14) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
S31 C31 1.726(10) .
S31 C32 1.750(8) .
S32 C31 1.730(9) .
S32 C33 1.737(9) .
S33 C32 1.753(9) .
S33 C34 1.817(10) .
S34 C33 1.755(9) .
S34 C35 1.810(10) .
C31 C31 1.377(17) 2_556
C32 C33 1.357(14) .
C34 C35 1.506(13) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
S41 C42 1.760(8) .
S41 C41 1.774(10) .
S42 C41 1.758(9) .
S42 C43 1.759(9) .
S43 C42 1.770(10) .
S43 C44 1.816(10) .
S44 C43 1.759(9) .
S44 C45 1.823(9) .
C41 C41 1.327(18) 2_666
C42 C43 1.328(14) .
C44 C45 1.492(18) .
C44 H44A 0.9900 .
C44 H44B 0.9900 .
C45 H45A 0.9900 .
C45 H45B 0.9900 .
S51 C51 1.720(10) .
S51 C52 1.747(9) .
S52 C51 1.732(10) .
S52 C53 1.740(9) .
S53 C52 1.733(9) .
S53 C54 1.812(10) .
S54 C53 1.754(10) .
S54 C55 1.793(12) .
C51 C51 1.379(18) 2_566
C52 C53 1.357(15) .
C54 C55 1.506(14) .
C54 H54A 0.9900 .
C54 H54B 0.9900 .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
Ag6 C64 2.047(12) .
Ag6 C61 2.069(10) .
Ag6 C63 2.079(15) .
Ag6 C62 2.131(13) .
C61 F63 1.221(13) .
C61 F61 1.269(13) .
C61 F62 1.449(16) .
C62 F66 1.249(16) .
C62 F65 1.323(15) .
C62 F64 1.379(16) .
C63 F69 1.241(18) .
C63 F67 1.36(2) .
C63 F68 1.435(18) .
C64 F71 1.273(13) .
C64 F70 1.299(13) .
C64 F72 1.39(2) .
Ag7 C73 2.061(11) .
Ag7 C74 2.082(12) .
Ag7 C71 2.085(11) .
Ag7 C72 2.087(12) .
C71 F81 1.340(12) .
C71 F82 1.346(11) .
C71 F83 1.366(15) .
C72 F84 1.342(14) .
C72 F86 1.365(12) .
C72 F85 1.366(11) .
C73 F89 1.349(12) .
C73 F87 1.377(11) .
C73 F88 1.395(13) .
C74 F92 1.351(12) .
C74 F90 1.373(10) .
C74 F91 1.379(13) .
C81 C82 1.513(14) .
C81 Cl82 1.793(12) .
C81 Cl81 1.795(10) .
C81 H81 1.0000 .
C82 Cl83 1.799(10) .
C82 H82B 0.9900 .
C82 H82A 0.9900 .
C91 C92 1.489(17) .
C91 Cl92 1.797(12) .
C91 Cl91 1.798(11) .
C91 H91 1.0000 .
C92 Cl93 1.783(11) .
C92 H92B 0.9900 .
C92 H92A 0.9900 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_4
C4 S2 C1 C2 172.5(10) .
C4 S2 C1 S1 -6.5(7) .
C3 S1 C1 C2 -172.4(9) .
C3 S1 C1 S2 6.7(7) .
S2 C1 C2 S4 2.2(14) .
S1 C1 C2 S4 -178.8(6) .
S2 C1 C2 S3 -177.5(6) .
S1 C1 C2 S3 1.5(13) .
C6 S4 C2 C1 -177.0(10) .
C6 S4 C2 S3 2.7(7) .
C5 S3 C2 C1 176.3(10) .
C5 S3 C2 S4 -3.5(7) .
C7 S5 C3 C4 -12.1(13) .
C7 S5 C3 S1 167.4(7) .
C1 S1 C3 C4 -4.2(10) .
C1 S1 C3 S5 176.3(7) .
S5 C3 C4 S2 179.8(8) .
S1 C3 C4 S2 0.3(13) .
S5 C3 C4 S6 -1.1(18) .
S1 C3 C4 S6 179.4(8) .
C1 S2 C4 C3 3.7(10) .
C1 S2 C4 S6 -175.5(7) .
C8 S6 C4 C3 -13.2(13) .
C8 S6 C4 S2 166.0(7) .
C2 S3 C5 C6 3.1(9) .
C2 S3 C5 S7 -178.2(7) .
C9 S7 C5 C6 21.6(11) .
C9 S7 C5 S3 -156.9(7) .
S3 C5 C6 S4 -1.7(12) .
S7 C5 C6 S4 179.8(7) .
S3 C5 C6 S8 176.3(8) .
S7 C5 C6 S8 -2.2(16) .
C2 S4 C6 C5 -0.6(10) .
C2 S4 C6 S8 -178.9(7) .
C10 S8 C6 C5 7.9(12) .
C10 S8 C6 S4 -174.0(7) .
C3 S5 C7 C8 46.8(10) .
S5 C7 C8 S6 -70.4(11) .
C4 S6 C8 C7 48.0(9) .
C5 S7 C9 C10 -54.7(9) .
S7 C9 C10 S8 70.1(10) .
C6 S8 C10 C9 -41.0(10) .
C13 S11 C11 C12 171.3(7) .
C13 S11 C11 S12 -8.2(6) .
C14 S12 C11 C12 -171.0(8) .
C14 S12 C11 S11 8.5(5) .
S11 C11 C12 S13 -1.8(11) .
S12 C11 C12 S13 177.7(5) .
S11 C11 C12 S14 177.5(5) .
S12 C11 C12 S14 -3.1(11) .
C15 S13 C12 C11 -176.4(7) .
C15 S13 C12 S14 4.2(6) .
C16 S14 C12 C11 177.0(8) .
C16 S14 C12 S13 -3.7(6) .
C17 S15 C13 C14 13.4(9) .
C17 S15 C13 S11 -166.6(5) .
C11 S11 C13 C14 4.4(8) .
C11 S11 C13 S15 -175.5(5) .
S15 C13 C14 S16 0.9(13) .
S11 C13 C14 S16 -179.0(5) .
S15 C13 C14 S12 -179.2(5) .
S11 C13 C14 S12 0.8(9) .
C18 S16 C14 C13 12.6(9) .
C18 S16 C14 S12 -167.3(5) .
C11 S12 C14 C13 -5.6(7) .
C11 S12 C14 S16 174.3(5) .
C19 S17 C15 C16 -21.7(9) .
C19 S17 C15 S13 157.2(5) .
C12 S13 C15 C16 -3.2(7) .
C12 S13 C15 S17 177.7(5) .
S17 C15 C16 S18 2.7(13) .
S13 C15 C16 S18 -176.3(5) .
S17 C15 C16 S14 -179.9(5) .
S13 C15 C16 S14 1.2(9) .
C20 S18 C16 C15 -7.0(9) .
C20 S18 C16 S14 175.4(5) .
C12 S14 C16 C15 1.5(7) .
C12 S14 C16 S18 179.3(5) .
C13 S15 C17 C18 -49.0(8) .
S15 C17 C18 S16 71.9(9) .
C14 S16 C18 C17 -48.1(8) .
C15 S17 C19 C20 53.0(8) .
S17 C19 C20 S18 -68.1(9) .
C16 S18 C20 C19 39.7(8) .
C23 S22 C21 C21 -178.4(13) 2_656
C23 S22 C21 S21 5.3(7) .
C22 S21 C21 C21 177.7(13) 2_656
C22 S21 C21 S22 -6.0(7) .
C24 S23 C22 C23 26.5(12) .
C24 S23 C22 S21 -150.0(6) .
C21 S21 C22 C23 4.6(10) .
C21 S21 C22 S23 -178.5(6) .
S23 C22 C23 S24 -3.6(17) .
S21 C22 C23 S24 172.8(7) .
S23 C22 C23 S22 -178.1(6) .
S21 C22 C23 S22 -1.7(13) .
C25 S24 C23 C22 4.2(13) .
C25 S24 C23 S22 179.0(6) .
C21 S22 C23 C22 -2.2(10) .
C21 S22 C23 S24 -177.6(6) .
C22 S23 C24 C25 -58.1(9) .
S23 C24 C25 S24 68.6(11) .
C23 S24 C25 C24 -37.0(10) .
C32 S31 C31 C31 179.7(12) 2_556
C32 S31 C31 S32 -1.5(7) .
C33 S32 C31 C31 -179.2(12) 2_556
C33 S32 C31 S31 1.9(7) .
C31 S31 C32 C33 0.2(10) .
C31 S31 C32 S33 178.0(6) .
C34 S33 C32 C33 20.2(11) .
C34 S33 C32 S31 -157.3(6) .
S31 C32 C33 S32 1.1(12) .
S33 C32 C33 S32 -176.4(6) .
S31 C32 C33 S34 177.0(7) .
S33 C32 C33 S34 -0.6(17) .
C31 S32 C33 C32 -1.8(10) .
C31 S32 C33 S34 -178.3(6) .
C35 S34 C33 C32 7.6(12) .
C35 S34 C33 S32 -176.5(6) .
C32 S33 C34 C35 -55.8(9) .
S33 C34 C35 S34 72.0(10) .
C33 S34 C35 C34 -42.4(9) .
C43 S42 C41 C41 -178.3(13) 2_666
C43 S42 C41 S41 3.6(7) .
C42 S41 C41 C41 176.8(13) 2_666
C42 S41 C41 S42 -5.1(7) .
C41 S41 C42 C43 5.3(10) .
C41 S41 C42 S43 -175.9(6) .
C44 S43 C42 C43 15.6(12) .
C44 S43 C42 S41 -163.1(6) .
S41 C42 C43 S44 170.1(6) .
S43 C42 C43 S44 -8.5(16) .
S41 C42 C43 S42 -3.8(13) .
S43 C42 C43 S42 177.6(6) .
C45 S44 C43 C42 -28.3(11) .
C45 S44 C43 S42 145.6(6) .
C41 S42 C43 C42 0.0(10) .
C41 S42 C43 S44 -174.3(6) .
C42 S43 C44 C45 22.8(9) .
S43 C44 C45 S44 -66.3(9) .
C43 S44 C45 C44 66.0(8) .
C52 S51 C51 C51 -176.4(13) 2_566
C52 S51 C51 S52 0.9(7) .
C53 S52 C51 C51 176.7(12) 2_566
C53 S52 C51 S51 -0.6(7) .
C54 S53 C52 C53 3.9(12) .
C54 S53 C52 S51 -174.4(7) .
C51 S51 C52 C53 -0.9(10) .
C51 S51 C52 S53 177.6(6) .
S53 C52 C53 S52 -177.7(6) .
S51 C52 C53 S52 0.6(13) .
S53 C52 C53 S54 0.4(17) .
S51 C52 C53 S54 178.6(7) .
C51 S52 C53 C52 0.0(10) .
C51 S52 C53 S54 -178.3(6) .
C55 S54 C53 C52 22.4(12) .
C55 S54 C53 S52 -159.6(6) .
C52 S53 C54 C55 -39.6(10) .
S53 C54 C55 S54 70.9(11) .
C53 S54 C55 C54 -56.3(9) .
C64 Ag6 C61 F63 -163.1(17) .
C63 Ag6 C61 F63 -30(7) .
C62 Ag6 C61 F63 21.2(17) .
C64 Ag6 C61 F61 62.0(11) .
C63 Ag6 C61 F61 -165(6) .
C62 Ag6 C61 F61 -113.8(12) .
C64 Ag6 C61 F62 -38.2(8) .
C63 Ag6 C61 F62 95(7) .
C62 Ag6 C61 F62 146.0(8) .
C64 Ag6 C62 F66 58(6) .
C61 Ag6 C62 F66 145.4(12) .
C63 Ag6 C62 F66 -39.1(12) .
C64 Ag6 C62 F65 -160(6) .
C61 Ag6 C62 F65 -72.1(8) .
C63 Ag6 C62 F65 103.3(10) .
C64 Ag6 C62 F64 -55(6) .
C61 Ag6 C62 F64 32.2(10) .
C63 Ag6 C62 F64 -152.4(11) .
C64 Ag6 C63 F69 36.0(14) .
C61 Ag6 C63 F69 -97(6) .
C62 Ag6 C63 F69 -148.2(15) .
C64 Ag6 C63 F67 -109.5(10) .
C61 Ag6 C63 F67 118(6) .
C62 Ag6 C63 F67 66.3(10) .
C64 Ag6 C63 F68 143.0(12) .
C61 Ag6 C63 F68 10(7) .
C62 Ag6 C63 F68 -41.2(12) .
C61 Ag6 C64 F71 -178.5(12) .
C63 Ag6 C64 F71 5.8(13) .
C62 Ag6 C64 F71 -91(6) .
C61 Ag6 C64 F70 -49.0(10) .
C63 Ag6 C64 F70 135.3(11) .
C62 Ag6 C64 F70 39(6) .
C61 Ag6 C64 F72 76.1(11) .
C63 Ag6 C64 F72 -99.6(12) .
C62 Ag6 C64 F72 164(6) .
C73 Ag7 C71 F81 -164(4) .
C74 Ag7 C71 F81 104.1(9) .
C72 Ag7 C71 F81 -70.1(9) .
C73 Ag7 C71 F82 -43(5) .
C74 Ag7 C71 F82 -134.5(9) .
C72 Ag7 C71 F82 51.3(9) .
C73 Ag7 C71 F83 76(5) .
C74 Ag7 C71 F83 -16.3(7) .
C72 Ag7 C71 F83 169.5(7) .
C73 Ag7 C72 F84 -49.7(7) .
C74 Ag7 C72 F84 40(4) .
C71 Ag7 C72 F84 136.1(7) .
C73 Ag7 C72 F86 70.5(7) .
C74 Ag7 C72 F86 160(3) .
C71 Ag7 C72 F86 -103.7(7) .
C73 Ag7 C72 F85 -170.4(7) .
C74 Ag7 C72 F85 -80(4) .
C71 Ag7 C72 F85 15.5(7) .
C74 Ag7 C73 F89 41.4(6) .
C71 Ag7 C73 F89 -50(5) .
C72 Ag7 C73 F89 -144.4(6) .
C74 Ag7 C73 F87 -80.6(8) .
C71 Ag7 C73 F87 -172(4) .
C72 Ag7 C73 F87 93.6(8) .
C74 Ag7 C73 F88 160.9(8) .
C71 Ag7 C73 F88 69(5) .
C72 Ag7 C73 F88 -24.9(8) .
C73 Ag7 C74 F92 144.0(7) .
C71 Ag7 C74 F92 -41.8(7) .
C72 Ag7 C74 F92 54(4) .
C73 Ag7 C74 F90 24.1(6) .
C71 Ag7 C74 F90 -161.7(6) .
C72 Ag7 C74 F90 -66(4) .
C73 Ag7 C74 F91 -95.0(7) .
C71 Ag7 C74 F91 79.1(7) .
C72 Ag7 C74 F91 175(3) .
Cl82 C81 C82 Cl83 69.1(10) .
Cl81 C81 C82 Cl83 -171.3(6) .
Cl92 C91 C92 Cl93 -67.2(8) .
Cl91 C91 C92 Cl93 172.4(5) .
