#------------------------------------------------------------------------------
#$Date: 2019-09-23 11:16:47 +0300 (Mon, 23 Sep 2019) $
#$Revision: 218726 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/40/7234071.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_7234071
loop_
_publ_author_name
'Takaaki Hiramatsu'
'Yukihiro Yoshida'
'Gunzi Saito'
'Akihiro Otsuka'
'Hideki Yamochi'
'Mitsuhiko Maesato'
'Yasuhiro Shimizu'
'Hiroshi Ito'
'Hideo Kishida'
_publ_section_title
;
 Quantum spin liquid: design of a quantum spin liquid next to a
 superconducting state based on a dimer-type ET Mott insulator
;
_journal_name_full               'Journal of Materials Chemistry C'
_journal_page_first              1378
_journal_page_last               1388
_journal_paper_doi               10.1039/C4TC01701C
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         '2(C10 H8 S8), C2 Ag1 N2, H2 O1'
_chemical_formula_sum            'C22 H18 Ag N2 O S16'
_chemical_formula_weight         947.21
_chemical_name_common
;
bis(bis(Ethylenedithio)tetrathiafulvalene) dicyano-silver monohydrate
;
_chemical_name_systematic
;
bis(3,4;3',4'-bis(Ethylenedithio)-2,2',5,5'-tetrathiafulvalenium)
dicyano-silver(i) monohydrate
;
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 109.7470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   16.0164(11)
_cell_length_b                   8.5758(6)
_cell_length_c                   12.4828(9)
_cell_measurement_reflns_used    9850
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.21
_cell_measurement_theta_min      2.53
_cell_volume                     1613.7(2)
_computing_cell_refinement       'APEX2 (Bruker AXS, 2006)'
_computing_data_collection       'APEX2 '
_computing_data_reduction        'SAINT (Bruker AXS, 2004)'
_computing_publication_material
'Yadokari-XG 2009 (Wakita, Nemoto et al., 2009)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 8.333
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEXII CCD area detector'
_diffrn_measurement_method       'φ and 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  0.0099
_diffrn_reflns_av_sigmaI/netI    0.0109
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            17730
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         1.35
_exptl_absorpt_coefficient_mu    1.687
_exptl_absorpt_correction_T_max  0.8362
_exptl_absorpt_correction_T_min  0.6950
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
APEX2 Software
;
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.949
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular needle'
_exptl_crystal_F_000             950
_exptl_crystal_preparation       'Magnetic properties, electronic property'
_exptl_crystal_recrystallization_method electrocrystallization
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.766
_refine_diff_density_min         -1.060
_refine_diff_density_rms         0.057
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.036(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     379
_refine_ls_number_reflns         6969
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.0182
_refine_ls_R_factor_gt           0.0180
_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)+(0.0170P)²+1.4014P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0457
_refine_ls_wR_factor_ref         0.0459
_reflns_number_gt                6929
_reflns_number_total             6969
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            1000027.cif
_cod_data_source_block           PCOD1000027
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P2(1)   '
_cod_database_code               7234071
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
S1 S 0.62152(4) 0.58556(7) 0.41336(5) 0.01899(11) Uani 1 1 d . . .
S2 S 0.54182(4) 0.33491(8) 0.24916(5) 0.02306(12) Uani 1 1 d . . .
S3 S 0.43605(4) 0.58969(7) 0.47769(5) 0.01830(11) Uani 1 1 d . . .
S4 S 0.37270(4) 0.32584(7) 0.32039(5) 0.02138(12) Uani 1 1 d . . .
S5 S 0.79778(5) 0.56238(10) 0.38780(11) 0.0590(3) Uani 1 1 d . . .
S6 S 0.69777(5) 0.27414(8) 0.18620(6) 0.03103(15) Uani 1 1 d . . .
S7 S 0.27104(4) 0.61837(8) 0.53243(6) 0.02584(13) Uani 1 1 d . . .
S8 S 0.19965(4) 0.29643(7) 0.35006(6) 0.02445(13) Uani 1 1 d . . .
C1 C 0.53058(15) 0.4646(3) 0.35145(19) 0.0177(4) Uani 1 1 d . . .
C2 C 0.45564(15) 0.4633(3) 0.37966(19) 0.0180(4) Uani 1 1 d . . .
C3 C 0.68907(15) 0.4968(3) 0.3459(2) 0.0221(5) Uani 1 1 d . . .
C4 C 0.65159(15) 0.3844(3) 0.2691(2) 0.0203(5) Uani 1 1 d . . .
C5 C 0.32855(15) 0.5213(3) 0.45593(19) 0.0178(4) Uani 1 1 d . . .
C6 C 0.29980(14) 0.3991(3) 0.38568(19) 0.0179(4) Uani 1 1 d . . .
C7 C 0.85061(18) 0.4068(3) 0.3391(3) 0.0358(6) Uani 1 1 d . . .
H7 H 0.9131 0.4375 0.3495 0.043 Uiso 1 1 calc R . .
H7A H 0.8527 0.3122 0.3867 0.043 Uiso 1 1 calc R . .
C8 C 0.80305(19) 0.3663(4) 0.2146(3) 0.0381(7) Uani 1 1 d . . .
H8 H 0.8420 0.2957 0.1885 0.046 Uiso 1 1 calc R . .
H8A H 0.7944 0.4642 0.1686 0.046 Uiso 1 1 calc R . .
C9 C 0.19851(16) 0.4607(3) 0.5434(2) 0.0233(5) Uani 1 1 d . . .
H9 H 0.2356 0.3730 0.5874 0.028 Uiso 1 1 calc R . .
H9A H 0.1602 0.4985 0.5868 0.028 Uiso 1 1 calc R . .
C10 C 0.13994(15) 0.4003(3) 0.4289(2) 0.0219(5) Uani 1 1 d . . .
H10 H 0.1078 0.4903 0.3819 0.026 Uiso 1 1 calc R . .
H10A H 0.0945 0.3288 0.4406 0.026 Uiso 1 1 calc R . .
S9 S 0.62002(4) 0.87147(7) 0.18861(5) 0.01959(11) Uani 1 1 d . . .
S10 S 0.55355(4) 0.61875(7) 0.02248(5) 0.02017(11) Uani 1 1 d . . .
S11 S 0.44741(4) 0.86049(7) 0.25629(5) 0.02056(11) Uani 1 1 d . . .
S12 S 0.37017(4) 0.61538(7) 0.08741(5) 0.01904(11) Uani 1 1 d . . .
S13 S 0.79021(4) 0.90998(8) 0.15118(5) 0.02413(12) Uani 1 1 d . . .
S14 S 0.71151(4) 0.60248(8) -0.04600(6) 0.02771(13) Uani 1 1 d . . .
S15 S 0.28743(4) 0.91948(7) 0.31281(5) 0.02330(12) Uani 1 1 d . . .
S16 S 0.19001(4) 0.64040(7) 0.09860(5) 0.02284(12) Uani 1 1 d . . .
C11 C 0.53505(14) 0.7407(3) 0.12348(18) 0.0177(4) Uani 1 1 d . . .
C12 C 0.45947(14) 0.7377(3) 0.15103(18) 0.0177(4) Uani 1 1 d . . .
C13 C 0.68945(15) 0.8103(3) 0.1150(2) 0.0185(4) Uani 1 1 d . . .
C14 C 0.65901(14) 0.6932(3) 0.03882(19) 0.0198(5) Uani 1 1 d . . .
C15 C 0.33593(14) 0.8140(3) 0.2300(2) 0.0177(4) Uani 1 1 d . . .
C16 C 0.29978(13) 0.7039(3) 0.15039(18) 0.0164(4) Uani 1 1 d . . .
C17 C 0.85369(16) 0.7789(3) 0.0954(2) 0.0265(5) Uani 1 1 d . . .
H17 H 0.9106 0.8309 0.0995 0.032 Uiso 1 1 calc R . .
H17A H 0.8688 0.6836 0.1443 0.032 Uiso 1 1 calc R . .
C18 C 0.80504(16) 0.7303(4) -0.0268(2) 0.0272(5) Uani 1 1 d . . .
H18 H 0.8481 0.6768 -0.0569 0.033 Uiso 1 1 calc R . .
H18A H 0.7837 0.8263 -0.0735 0.033 Uiso 1 1 calc R . .
C19 C 0.17116(16) 0.8741(3) 0.2446(2) 0.0262(5) Uani 1 1 d . . .
H19 H 0.1385 0.9042 0.2970 0.031 Uiso 1 1 calc R . .
H19A H 0.1474 0.9391 0.1743 0.031 Uiso 1 1 calc R . .
C20 C 0.15216(14) 0.7043(3) 0.21225(19) 0.0237(5) Uani 1 1 d . . .
H20 H 0.0867 0.6865 0.1888 0.028 Uiso 1 1 calc R . .
H20A H 0.1812 0.6385 0.2809 0.028 Uiso 1 1 calc R . .
Ag1 Ag -0.005887(12) 0.21762(2) 0.148885(16) 0.02767(5) Uani 1 1 d . . .
C21 C -0.00799(16) 0.4150(3) 0.0491(2) 0.0246(5) Uani 1 1 d . . .
C22 C -0.00948(16) 0.0980(3) 0.2929(2) 0.0260(5) Uani 1 1 d . . .
N1 N -0.00943(16) 0.5149(3) -0.0101(2) 0.0320(5) Uani 1 1 d . . .
N2 N -0.01059(17) 0.0419(3) 0.3759(2) 0.0401(6) Uani 1 1 d . . .
O1 O 0.0030(2) 0.6896(4) 0.4007(3) 0.0720(8) 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'
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'
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
_geom_angle_site_symmetry_3
C1 S1 C3 95.03(11) . .
C4 S2 C1 95.10(11) . .
C2 S3 C5 94.80(11) . .
C2 S4 C6 95.29(11) . .
C3 S5 C7 101.38(13) . .
C4 S6 C8 101.77(14) . .
C5 S7 C9 98.94(11) . .
C6 S8 C10 102.73(11) . .
C2 C1 S1 124.67(18) . .
C2 C1 S2 120.09(18) . .
S1 C1 S2 115.22(12) . .
C1 C2 S3 124.13(18) . .
C1 C2 S4 120.56(18) . .
S3 C2 S4 115.28(12) . .
C4 C3 S5 127.33(18) . .
C4 C3 S1 116.93(18) . .
S5 C3 S1 115.72(15) . .
C3 C4 S6 129.38(18) . .
C3 C4 S2 117.41(17) . .
S6 C4 S2 113.20(14) . .
C6 C5 S7 126.94(18) . .
C6 C5 S3 117.69(17) . .
S7 C5 S3 115.35(13) . .
C5 C6 S8 129.83(18) . .
C5 C6 S4 116.62(17) . .
S8 C6 S4 113.53(13) . .
C8 C7 S5 112.7(2) . .
C8 C7 H7 109.1 . .
S5 C7 H7 109.1 . .
C8 C7 H7A 109.1 . .
S5 C7 H7A 109.1 . .
H7 C7 H7A 107.8 . .
C7 C8 S6 114.65(19) . .
C7 C8 H8 108.6 . .
S6 C8 H8 108.6 . .
C7 C8 H8A 108.6 . .
S6 C8 H8A 108.6 . .
H8 C8 H8A 107.6 . .
C10 C9 S7 113.05(17) . .
C10 C9 H9 109.0 . .
S7 C9 H9 109.0 . .
C10 C9 H9A 109.0 . .
S7 C9 H9A 109.0 . .
H9 C9 H9A 107.8 . .
C9 C10 S8 114.05(16) . .
C9 C10 H10 108.7 . .
S8 C10 H10 108.7 . .
C9 C10 H10A 108.7 . .
S8 C10 H10A 108.7 . .
H10 C10 H10A 107.6 . .
C11 S9 C13 95.57(11) . .
C11 S10 C14 95.16(11) . .
C12 S11 C15 94.97(11) . .
C12 S12 C16 95.09(11) . .
C13 S13 C17 100.79(11) . .
C14 S14 C18 101.39(12) . .
C15 S15 C19 101.74(11) . .
C16 S16 C20 100.26(11) . .
C12 C11 S10 123.63(17) . .
C12 C11 S9 120.98(17) . .
S10 C11 S9 115.39(12) . .
C11 C12 S12 124.06(18) . .
C11 C12 S11 120.74(17) . .
S12 C12 S11 115.19(12) . .
C14 C13 S9 116.74(17) . .
C14 C13 S13 128.78(18) . .
S9 C13 S13 114.48(13) . .
C13 C14 S14 128.63(18) . .
C13 C14 S10 117.12(17) . .
S14 C14 S10 114.25(13) . .
C16 C15 S15 129.29(17) . .
C16 C15 S11 117.03(17) . .
S15 C15 S11 113.68(13) . .
C15 C16 S16 128.26(17) . .
C15 C16 S12 116.89(16) . .
S16 C16 S12 114.83(13) . .
C18 C17 S13 113.20(18) . .
C18 C17 H17 108.9 . .
S13 C17 H17 108.9 . .
C18 C17 H17A 108.9 . .
S13 C17 H17A 108.9 . .
H17 C17 H17A 107.8 . .
C17 C18 S14 114.92(17) . .
C17 C18 H18 108.5 . .
S14 C18 H18 108.5 . .
C17 C18 H18A 108.5 . .
S14 C18 H18A 108.5 . .
H18 C18 H18A 107.5 . .
C20 C19 S15 114.48(17) . .
C20 C19 H19 108.6 . .
S15 C19 H19 108.6 . .
C20 C19 H19A 108.6 . .
S15 C19 H19A 108.6 . .
H19 C19 H19A 107.6 . .
C19 C20 S16 114.23(18) . .
C19 C20 H20 108.7 . .
S16 C20 H20 108.7 . .
C19 C20 H20A 108.7 . .
S16 C20 H20A 108.7 . .
H20 C20 H20A 107.6 . .
C22 Ag1 C21 155.44(10) . .
C22 Ag1 N1 106.85(9) . 2_545
C21 Ag1 N1 97.71(9) . 2_545
N1 C21 Ag1 175.6(2) . .
N2 C22 Ag1 175.3(2) . .
C21 N1 Ag1 171.4(2) . 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
S1 C1 1.742(2) .
S1 C3 1.754(2) .
S2 C4 1.743(2) .
S2 C1 1.748(2) .
S3 C2 1.741(2) .
S3 C5 1.751(2) .
S4 C2 1.743(2) .
S4 C6 1.751(2) .
S5 C3 1.734(2) .
S5 C7 1.793(3) .
S6 C4 1.740(2) .
S6 C8 1.786(3) .
S7 C5 1.746(2) .
S7 C9 1.818(3) .
S8 C6 1.750(2) .
S8 C10 1.820(2) .
C1 C2 1.360(3) .
C3 C4 1.349(3) .
C5 C6 1.344(3) .
C7 C8 1.522(4) .
C7 H7 1.0000 .
C7 H7A 1.0000 .
C8 H8 1.0000 .
C8 H8A 1.0000 .
C9 C10 1.513(3) .
C9 H9 1.0000 .
C9 H9A 1.0000 .
C10 H10 1.0000 .
C10 H10A 1.0000 .
S9 C11 1.739(2) .
S9 C13 1.745(2) .
S10 C11 1.739(2) .
S10 C14 1.752(2) .
S11 C12 1.745(2) .
S11 C15 1.749(2) .
S12 C12 1.735(2) .
S12 C16 1.751(2) .
S13 C13 1.746(2) .
S13 C17 1.806(3) .
S14 C14 1.742(2) .
S14 C18 1.805(3) .
S15 C15 1.742(2) .
S15 C19 1.809(3) .
S16 C16 1.743(2) .
S16 C20 1.806(2) .
C11 C12 1.366(3) .
C13 C14 1.355(3) .
C15 C16 1.351(3) .
C17 C18 1.518(4) .
C17 H17 1.0000 .
C17 H17A 1.0000 .
C18 H18 1.0000 .
C18 H18A 1.0000 .
C19 C20 1.515(4) .
C19 H19 1.0000 .
C19 H19A 1.0000 .
C20 H20 1.0000 .
C20 H20A 1.0000 .
Ag1 C22 2.088(3) .
Ag1 C21 2.095(3) .
Ag1 N1 2.524(3) 2_545
C21 N1 1.126(4) .
C22 N2 1.148(4) .
N1 Ag1 2.524(3) 2
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
C3 S1 C1 C2 172.6(2) . . . .
C3 S1 C1 S2 -5.61(16) . . . .
C4 S2 C1 C2 -173.6(2) . . . .
C4 S2 C1 S1 4.70(15) . . . .
S1 C1 C2 S3 3.4(3) . . . .
S2 C1 C2 S3 -178.49(13) . . . .
S1 C1 C2 S4 -174.59(13) . . . .
S2 C1 C2 S4 3.5(3) . . . .
C5 S3 C2 C1 176.2(2) . . . .
C5 S3 C2 S4 -5.70(15) . . . .
C6 S4 C2 C1 -176.9(2) . . . .
C6 S4 C2 S3 4.97(15) . . . .
C7 S5 C3 C4 -17.1(3) . . . .
C7 S5 C3 S1 161.75(17) . . . .
C1 S1 C3 C4 4.7(2) . . . .
C1 S1 C3 S5 -174.26(16) . . . .
S5 C3 C4 S6 -1.7(4) . . . .
S1 C3 C4 S6 179.41(15) . . . .
S5 C3 C4 S2 176.59(16) . . . .
S1 C3 C4 S2 -2.3(3) . . . .
C8 S6 C4 C3 -7.6(3) . . . .
C8 S6 C4 S2 174.05(15) . . . .
C1 S2 C4 C3 -1.5(2) . . . .
C1 S2 C4 S6 177.12(14) . . . .
C9 S7 C5 C6 25.8(2) . . . .
C9 S7 C5 S3 -152.38(14) . . . .
C2 S3 C5 C6 4.5(2) . . . .
C2 S3 C5 S7 -177.10(14) . . . .
S7 C5 C6 S8 -1.4(4) . . . .
S3 C5 C6 S8 176.76(15) . . . .
S7 C5 C6 S4 -179.99(14) . . . .
S3 C5 C6 S4 -1.9(3) . . . .
C10 S8 C6 C5 1.8(3) . . . .
C10 S8 C6 S4 -179.53(13) . . . .
C2 S4 C6 C5 -1.9(2) . . . .
C2 S4 C6 S8 179.28(13) . . . .
C3 S5 C7 C8 51.5(2) . . . .
S5 C7 C8 S6 -70.0(3) . . . .
C4 S6 C8 C7 43.1(2) . . . .
C5 S7 C9 C10 -58.99(19) . . . .
S7 C9 C10 S8 68.9(2) . . . .
C6 S8 C10 C9 -35.5(2) . . . .
C14 S10 C11 C12 -179.8(2) . . . .
C14 S10 C11 S9 0.69(15) . . . .
C13 S9 C11 C12 -180.0(2) . . . .
C13 S9 C11 S10 -0.47(15) . . . .
S10 C11 C12 S12 -1.5(3) . . . .
S9 C11 C12 S12 177.99(13) . . . .
S10 C11 C12 S11 178.23(13) . . . .
S9 C11 C12 S11 -2.3(3) . . . .
C16 S12 C12 C11 -171.1(2) . . . .
C16 S12 C12 S11 9.19(15) . . . .
C15 S11 C12 C11 172.1(2) . . . .
C15 S11 C12 S12 -8.13(15) . . . .
C11 S9 C13 C14 0.0(2) . . . .
C11 S9 C13 S13 -179.80(14) . . . .
C17 S13 C13 C14 -16.8(3) . . . .
C17 S13 C13 S9 162.91(14) . . . .
S9 C13 C14 S14 -178.60(14) . . . .
S13 C13 C14 S14 1.1(4) . . . .
S9 C13 C14 S10 0.5(3) . . . .
S13 C13 C14 S10 -179.74(14) . . . .
C18 S14 C14 C13 -11.1(3) . . . .
C18 S14 C14 S10 169.77(14) . . . .
C11 S10 C14 C13 -0.7(2) . . . .
C11 S10 C14 S14 178.53(13) . . . .
C19 S15 C15 C16 -11.5(3) . . . .
C19 S15 C15 S11 168.60(14) . . . .
C12 S11 C15 C16 3.3(2) . . . .
C12 S11 C15 S15 -176.72(13) . . . .
S15 C15 C16 S16 4.3(4) . . . .
S11 C15 C16 S16 -175.71(14) . . . .
S15 C15 C16 S12 -177.36(14) . . . .
S11 C15 C16 S12 2.6(3) . . . .
C20 S16 C16 C15 -20.0(3) . . . .
C20 S16 C16 S12 161.64(14) . . . .
C12 S12 C16 C15 -7.1(2) . . . .
C12 S12 C16 S16 171.45(14) . . . .
C13 S13 C17 C18 49.7(2) . . . .
S13 C17 C18 S14 -69.9(2) . . . .
C14 S14 C18 C17 45.1(2) . . . .
C15 S15 C19 C20 42.9(2) . . . .
S15 C19 C20 S16 -68.8(2) . . . .
C16 S16 C20 C19 51.4(2) . . . .
C22 Ag1 C21 N1 -171(3) . . . .
N1 Ag1 C21 N1 8(3) 2_545 . . .
C21 Ag1 C22 N2 -13(3) . . . .
N1 Ag1 C22 N2 167(3) 2_545 . . .
Ag1 C21 N1 Ag1 -51(4) . . . 2
