#------------------------------------------------------------------------------
#$Date: 2016-02-20 05:06:23 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176774 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/29/2202905.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_2202905
loop_
_publ_author_name
'Fainerman-Melnikova, Marina'
'Lindoy, Leonard F.'
'McMurtrie, John C.'
'Setzer, William N.'
_publ_section_title
;
 (1,4,7,11,14,17-Hexathia-9,9,19,19-tetrahydroxymethylcycloicosane)silver(I)
 nitrate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m880
_journal_page_last               m882
_journal_paper_doi               10.1107/S1600536803019561
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Ag (C18 H36 O4 S6)] N O3'
_chemical_formula_moiety         'C18 H36 Ag O4 S6, N O3'
_chemical_formula_sum            'C18 H36 Ag N O7 S6'
_chemical_formula_weight         678.71
_chemical_name_common            '(20S6-tetraMeOH)silver(I) nitrate'
_chemical_name_systematic
;
(1,4,7,11,14,17-hexathia-9,9,19,19-tetrahydroxymethylcycloicosane)silver(I)
nitrate
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 125.907(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.933(7)
_cell_length_b                   19.401(10)
_cell_length_c                   11.851(6)
_cell_measurement_reflns_used    943
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      28.129
_cell_measurement_theta_min      2.986
_cell_volume                     2595(2)
_computing_cell_refinement       'SAINT (Siemens, 1995)'
_computing_data_collection       'SMART (Siemens, 1995)'
_computing_data_reduction        'SAINT and XPREP (Siemens, 1995)'
_computing_molecular_graphics
;ORTEPIII (Farrugia, 1997)
WINGX-32 (Farrugia, 1999)
;
_computing_publication_material  'enCIFer (CCDC, 2003)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR97 (Altomare, et. al. 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.959
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0146
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            12618
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.09
_diffrn_standards_decay_%        0.28
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.299
_exptl_absorpt_correction_T_max  0.723
_exptl_absorpt_correction_T_min  0.585
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1999)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.737
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1400
_exptl_crystal_size_max          0.430
_exptl_crystal_size_mid          0.337
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.850
_refine_diff_density_min         -0.951
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.244
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         3180
_refine_ls_number_restraints     10
_refine_ls_restrained_S_all      1.249
_refine_ls_R_factor_all          0.0512
_refine_ls_R_factor_gt           0.0497
_refine_ls_shift/su_max          <0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0022P)²+34.9089P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1222
_refine_ls_wR_factor_ref         0.1227
_reflns_number_gt                3036
_reflns_number_total             3180
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            su6047.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/m'
_cod_database_code               2202905
_cod_database_fobs_code          2202905
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z'
loop_
_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
_atom_site_type_symbol
C1 0.2937(4) -0.0714(2) 0.0671(5) 0.0265(9) Uani d . 1 . . C
H1A 0.3355 -0.1112 0.1299 0.032 Uiso calc R 1 . . H
H1B 0.2290 -0.0583 0.0746 0.032 Uiso calc R 1 . . H
C2 0.2378(4) -0.0952(3) -0.0826(5) 0.0274(10) Uani d . 1 . . C
H2A 0.1899 -0.0569 -0.1467 0.033 Uiso calc R 1 . . H
H2B 0.1832 -0.1339 -0.1041 0.033 Uiso calc R 1 . . H
C3 0.4178(4) -0.1894(2) 0.0161(4) 0.0228(9) Uani d . 1 . . C
H3A 0.4648 -0.1674 0.1092 0.027 Uiso calc R 1 . . H
H3B 0.3580 -0.2195 0.0109 0.027 Uiso calc R 1 . . H
C4 0.5000 -0.2335(3) 0.0000 0.0200(11) Uani d S 1 . . C
C5 0.4269(4) -0.2791(2) -0.1312(5) 0.0251(9) Uani d D 1 . . C
H5A 0.3782 -0.2493 -0.2142 0.030 Uiso calc R 1 . . H
H5B 0.4815 -0.3058 -0.1422 0.030 Uiso calc R 1 . . H
C6 0.2151(4) -0.0710(2) 0.3944(5) 0.0298(10) Uani d . 1 . . C
H6A 0.1383 -0.0577 0.3755 0.036 Uiso calc R 1 . . H
H6B 0.2000 -0.1107 0.3336 0.036 Uiso calc R 1 . . H
C7 0.2971(5) -0.0946(3) 0.5451(6) 0.0329(11) Uani d . 1 . . C
H7A 0.2581 -0.1328 0.5593 0.039 Uiso calc R 1 . . H
H7B 0.3075 -0.0561 0.6061 0.039 Uiso calc R 1 . . H
C8 0.3959(4) -0.1920(2) 0.4718(5) 0.0265(9) Uani d . 1 . . C
H8A 0.3392 -0.2225 0.4722 0.032 Uiso calc R 1 . . H
H8B 0.3542 -0.1712 0.3779 0.032 Uiso calc R 1 . . H
C9 0.5000 -0.2354(3) 0.5000 0.0234(12) Uani d S 1 . . C
C10 0.4478(4) -0.2802(2) 0.3694(5) 0.0276(10) Uani d D 1 . . C
H10A 0.3795 -0.3065 0.3524 0.033 Uiso calc R 1 . . H
H10B 0.4183 -0.2499 0.2879 0.033 Uiso calc R 1 . . H
O1 0.3518(3) -0.32523(19) -0.1239(4) 0.0355(8) Uani d D 1 . . O
H1O 0.392(4) -0.3655(14) -0.087(7) 0.053 Uiso d D 1 . . H
O2 0.5318(3) -0.32682(19) 0.3822(4) 0.0359(8) Uani d D 1 . . O
H2O 0.525(5) -0.3675(13) 0.411(7) 0.054 Uiso d D 1 . . H
S1 0.39684(14) 0.0000 0.12978(16) 0.0224(3) Uani d S 1 . . S
S2 0.34177(10) -0.12242(6) -0.11692(12) 0.0246(2) Uani d . 1 . . S
S3 0.26683(14) 0.0000 0.34483(17) 0.0253(3) Uani d S 1 . . S
S4 0.44196(11) -0.12345(6) 0.59966(12) 0.0288(3) Uani d . 1 . . S
Ag1 0.5000 0.0000 0.0000 0.0376(2) Uani d S 1 . . Ag
Ag2 0.5000 0.0000 0.5000 0.0392(2) Uani d S 1 . . Ag
N1 0.0000 0.0000 0.0000 0.036(2) Uani d SD 1 . . N
O3 0.0299(11) 0.0000 -0.0881(14) 0.063(4) Uani d SPD 0.50 . . O
O4 0.0148(9) -0.0556(4) -0.0310(10) 0.053(3) Uani d PD 0.50 . . O
N2 0.0000 0.0000 -0.5000 0.0283(17) Uani d SD 1 . . N
O5 0.0000 0.0630(8) -0.5000 0.059(6) Uiso d SPD 0.30 . . O
O6 -0.0304(12) -0.0340(7) -0.6063(13) 0.043(3) Uiso d PD 0.30 . . O
O7 -0.1072(18) 0.0000 -0.592(4) 0.078(12) Uiso d SPD 0.20 . . O
O8 0.0567(18) 0.0552(9) -0.452(2) 0.040(4) Uiso d PD 0.20 . . O
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C2 C1 S1 . . 116.6(3) ?
C2 C1 H1A . . 108.2 ?
S1 C1 H1A . . 108.2 ?
C2 C1 H1B . . 108.2 ?
S1 C1 H1B . . 108.2 ?
H1A C1 H1B . . 107.3 ?
C1 C2 S2 . . 114.9(3) ?
C1 C2 H2A . . 108.5 ?
S2 C2 H2A . . 108.5 ?
C1 C2 H2B . . 108.5 ?
S2 C2 H2B . . 108.5 ?
H2A C2 H2B . . 107.5 ?
C4 C3 S2 . . 112.9(3) ?
C4 C3 H3A . . 109.0 ?
S2 C3 H3A . . 109.0 ?
C4 C3 H3B . . 109.0 ?
S2 C3 H3B . . 109.0 ?
H3A C3 H3B . . 107.8 ?
C3 C4 C3 . 2_655 111.8(5) ?
C3 C4 C5 . . 110.3(2) ?
C3 C4 C5 2_655 . 107.2(2) ?
C3 C4 C5 . 2_655 107.2(2) ?
C3 C4 C5 2_655 2_655 110.3(2) ?
C5 C4 C5 . 2_655 110.0(5) ?
O1 C5 C4 . . 112.0(4) ?
O1 C5 H5A . . 109.2 ?
C4 C5 H5A . . 109.2 ?
O1 C5 H5B . . 109.2 ?
C4 C5 H5B . . 109.2 ?
H5A C5 H5B . . 107.9 ?
C7 C6 S3 . . 116.4(3) ?
C7 C6 H6A . . 108.2 ?
S3 C6 H6A . . 108.2 ?
C7 C6 H6B . . 108.2 ?
S3 C6 H6B . . 108.2 ?
H6A C6 H6B . . 107.3 ?
C6 C7 S4 . . 115.2(3) ?
C6 C7 H7A . . 108.5 ?
S4 C7 H7A . . 108.5 ?
C6 C7 H7B . . 108.5 ?
S4 C7 H7B . . 108.5 ?
H7A C7 H7B . . 107.5 ?
C9 C8 S4 . . 113.0(3) ?
C9 C8 H8A . . 109.0 ?
S4 C8 H8A . . 109.0 ?
C9 C8 H8B . . 109.0 ?
S4 C8 H8B . . 109.0 ?
H8A C8 H8B . . 107.8 ?
C8 C9 C8 2_656 . 113.4(5) ?
C8 C9 C10 2_656 . 111.0(3) ?
C8 C9 C10 . . 105.2(2) ?
C8 C9 C10 2_656 2_656 105.2(2) ?
C8 C9 C10 . 2_656 111.0(3) ?
C10 C9 C10 . 2_656 111.1(5) ?
O2 C10 C9 . . 112.4(4) ?
O2 C10 H10A . . 109.1 ?
C9 C10 H10A . . 109.1 ?
O2 C10 H10B . . 109.1 ?
C9 C10 H10B . . 109.1 ?
H10A C10 H10B . . 107.9 ?
C5 O1 H1O . . 108(2) ?
C10 O2 H2O . . 110(2) ?
C1 S1 C1 . 6 99.7(3) ?
C1 S1 Ag1 . . 109.37(16) ?
C1 S1 Ag1 6 . 109.37(16) ?
C2 S2 C3 . . 98.7(2) ?
C2 S2 Ag1 . . 97.77(16) ?
C3 S2 Ag1 . . 105.64(16) ?
C6 S3 C6 . 6 99.5(3) ?
C6 S3 Ag2 . . 109.72(17) ?
C6 S3 Ag2 6 . 109.72(17) ?
C7 S4 C8 . . 98.8(2) ?
C7 S4 Ag2 . . 96.61(16) ?
C8 S4 Ag2 . . 107.51(17) ?
S1 Ag1 S1 . 5_655 180.00(4) yes
S1 Ag1 S2 . . 76.36(4) yes
S1 Ag1 S2 5_655 . 103.64(4) ?
S1 Ag1 S2 . 5_655 103.64(4) yes
S1 Ag1 S2 5_655 5_655 76.36(4) ?
S2 Ag1 S2 . 5_655 180.00(9) yes
S1 Ag1 S2 . 2_655 103.64(4) ?
S1 Ag1 S2 5_655 2_655 76.36(4) ?
S2 Ag1 S2 . 2_655 73.95(6) yes
S2 Ag1 S2 5_655 2_655 106.05(6) yes
S1 Ag1 S2 . 6 76.36(4) ?
S1 Ag1 S2 5_655 6 103.64(4) ?
S2 Ag1 S2 . 6 106.05(6) ?
S2 Ag1 S2 5_655 6 73.95(6) ?
S2 Ag1 S2 2_655 6 180.00(6) ?
S3 Ag2 S3 . 5_656 180.00(5) yes
S3 Ag2 S4 . 6 76.50(4) ?
S3 Ag2 S4 5_656 6 103.50(4) ?
S3 Ag2 S4 . . 76.50(4) yes
S3 Ag2 S4 5_656 . 103.50(4) ?
S4 Ag2 S4 6 . 106.75(6) yes
S3 Ag2 S4 . 2_656 103.50(4) ?
S3 Ag2 S4 5_656 2_656 76.50(4) ?
S4 Ag2 S4 6 2_656 180.0 ?
S4 Ag2 S4 . 2_656 73.25(6) yes
S3 Ag2 S4 . 5_656 103.50(4) yes
S3 Ag2 S4 5_656 5_656 76.50(4) ?
S4 Ag2 S4 6 5_656 73.25(6) ?
S4 Ag2 S4 . 5_656 180.0 yes
S4 Ag2 S4 2_656 5_656 106.75(6) ?
O4 N1 O4 . 6 128.9(9) ?
O4 N1 O4 5 2 128.9(9) ?
O4 N1 O3 . 5 115.5(5) ?
O4 N1 O3 6 5 115.5(5) ?
O4 N1 O3 5 . 115.5(5) ?
O4 N1 O3 2 . 115.5(5) ?
O7 N2 O8 . . 121.3(10) ?
O7 N2 O8 5_554 2_554 121.3(10) ?
O7 N2 O8 5_554 5_554 121.3(10) ?
O8 N2 O8 2_554 5_554 117(2) ?
O7 N2 O8 . 6 121.3(10) ?
O8 N2 O8 . 6 117(2) ?
O5 N2 O6 . . 121.7(6) ?
O5 N2 O6 5_554 6 121.7(6) ?
O5 N2 O6 5_554 5_554 121.7(6) ?
O6 N2 O6 6 5_554 116.5(13) ?
O5 N2 O6 . 2_554 121.7(6) ?
O6 N2 O6 . 2_554 116.5(13) ?
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
C1 C2 . 1.532(7) ?
C1 S1 . 1.812(5) ?
C1 H1A . 0.9900 ?
C1 H1B . 0.9900 ?
C2 S2 . 1.798(5) ?
C2 H2A . 0.9900 ?
C2 H2B . 0.9900 ?
C3 C4 . 1.529(5) ?
C3 S2 . 1.826(5) ?
C3 H3A . 0.9900 ?
C3 H3B . 0.9900 ?
C4 C3 2_655 1.529(5) ?
C4 C5 . 1.542(5) ?
C4 C5 2_655 1.542(5) ?
C5 O1 . 1.418(6) ?
C5 H5A . 0.9900 ?
C5 H5B . 0.9900 ?
C6 C7 . 1.520(7) ?
C6 S3 . 1.805(5) ?
C6 H6A . 0.9900 ?
C6 H6B . 0.9900 ?
C7 S4 . 1.809(5) ?
C7 H7A . 0.9900 ?
C7 H7B . 0.9900 ?
C8 C9 . 1.535(6) ?
C8 S4 . 1.826(5) ?
C8 H8A . 0.9900 ?
C8 H8B . 0.9900 ?
C9 C8 2_656 1.535(6) ?
C9 C10 . 1.536(6) ?
C9 C10 2_656 1.536(6) ?
C10 O2 . 1.415(6) ?
C10 H10A . 0.9900 ?
C10 H10B . 0.9900 ?
O1 H1O . 0.912(19) ?
O2 H2O . 0.889(19) ?
S1 C1 6 1.812(5) ?
S1 Ag1 . 2.6504(18) yes
S2 Ag1 . 2.9730(16) yes
S3 C6 6 1.805(5) ?
S3 Ag2 . 2.632(2) yes
S4 Ag2 . 2.9842(16) yes
Ag1 S1 5_655 2.6504(19) ?
Ag1 S2 5_655 2.9730(16) ?
Ag1 S2 2_655 2.9730(16) ?
Ag1 S2 6 2.9730(16) ?
Ag2 S3 5_656 2.632(2) ?
Ag2 S4 6 2.9842(16) ?
Ag2 S4 2_656 2.9842(16) ?
Ag2 S4 5_656 2.9842(16) ?
N1 O4 . 1.197(7) ?
N1 O4 6 1.197(7) ?
N1 O4 5 1.197(7) ?
N1 O4 2 1.197(7) ?
N1 O3 5 1.332(11) ?
N1 O3 . 1.332(11) ?
N2 O5 . 1.222(16) ?
N2 O5 5_554 1.222(16) ?
N2 O7 . 1.229(19) ?
N2 O7 5_554 1.229(19) ?
N2 O8 . 1.252(15) ?
N2 O8 2_554 1.252(15) ?
N2 O8 5_554 1.252(15) ?
N2 O8 6 1.252(15) ?
N2 O6 . 1.256(12) ?
N2 O6 6 1.256(11) ?
N2 O6 5_554 1.256(11) ?
N2 O6 2_554 1.256(11) ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
O1 H1O O4 7_545 0.912(19) 1.96(3) 2.857(9) 167(6) yes
O1 H1O O4 8_545 0.912(19) 2.09(3) 2.963(10) 160(4) yes
O2 H2O O5 3_546 0.889(19) 1.86(3) 2.728(13) 164(4) yes
O2 H2O O6 8_546 0.889(19) 2.02(4) 2.862(14) 157(6) yes
O2 H2O O8 3_546 0.889(19) 2.06(4) 2.905(19) 159(6) yes
O2 H2O O8 4_545 0.889(19) 2.10(3) 2.94(2) 157(3) yes
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_4
_geom_torsion
S1 C1 C2 S2 . . 58.7(4)
S2 C3 C4 C3 . 2_655 49.74(19)
S2 C3 C4 C5 . . -69.4(4)
S2 C3 C4 C5 . 2_655 170.7(3)
C3 C4 C5 O1 . . -61.3(5)
C3 C4 C5 O1 2_655 . 176.8(4)
C5 C4 C5 O1 2_655 . 56.8(3)
S3 C6 C7 S4 . . -59.5(5)
S4 C8 C9 C8 . 2_656 -48.2(2)
S4 C8 C9 C10 . . -169.7(3)
S4 C8 C9 C10 . 2_656 70.1(5)
C8 C9 C10 O2 2_656 . 60.5(5)
C8 C9 C10 O2 . . -176.4(4)
C10 C9 C10 O2 2_656 . -56.2(3)
C2 C1 S1 C1 . 6 86.0(4)
C2 C1 S1 Ag1 . . -28.7(4)
C1 C2 S2 C3 . . 56.7(4)
C1 C2 S2 Ag1 . . -50.5(3)
C4 C3 S2 C2 . . 169.6(3)
C4 C3 S2 Ag1 . . -89.8(3)
C7 C6 S3 C6 . 6 -86.3(4)
C7 C6 S3 Ag2 . . 28.7(4)
C6 C7 S4 C8 . . -57.8(4)
C6 C7 S4 Ag2 . . 51.1(4)
C9 C8 S4 C7 . . -172.3(3)
C9 C8 S4 Ag2 . . 87.9(3)
C1 S1 Ag1 S1 . 5_655 -125.9(2)
C1 S1 Ag1 S1 6 5_655 125.89(17)
C1 S1 Ag1 S2 . . -1.18(17)
C1 S1 Ag1 S2 6 . -109.41(18)
C1 S1 Ag1 S2 . 5_655 178.82(17)
C1 S1 Ag1 S2 6 5_655 70.59(18)
C1 S1 Ag1 S2 . 2_655 -70.59(18)
C1 S1 Ag1 S2 6 2_655 -178.82(17)
C1 S1 Ag1 S2 . 6 109.41(18)
C1 S1 Ag1 S2 6 6 1.18(17)
C2 S2 Ag1 S1 . . 23.63(16)
C3 S2 Ag1 S1 . . -77.68(15)
C2 S2 Ag1 S1 . 5_655 -156.37(16)
C3 S2 Ag1 S1 . 5_655 102.32(15)
C2 S2 Ag1 S2 . 5_655 -17E1(10)
C3 S2 Ag1 S2 . 5_655 8E1(10)
C2 S2 Ag1 S2 . 2_655 132.43(17)
C3 S2 Ag1 S2 . 2_655 31.12(14)
C2 S2 Ag1 S2 . 6 -47.57(17)
C3 S2 Ag1 S2 . 6 -148.88(14)
C6 S3 Ag2 S3 . 5_656 -54.1(2)
C6 S3 Ag2 S3 6 5_656 54.1(3)
C6 S3 Ag2 S4 . 6 -109.77(19)
C6 S3 Ag2 S4 6 6 -1.48(18)
C6 S3 Ag2 S4 . . 1.48(18)
C6 S3 Ag2 S4 6 . 109.77(19)
C6 S3 Ag2 S4 . 2_656 70.23(19)
C6 S3 Ag2 S4 6 2_656 178.52(18)
C6 S3 Ag2 S4 . 5_656 -178.52(18)
C6 S3 Ag2 S4 6 5_656 -70.23(19)
C7 S4 Ag2 S3 . . -23.77(18)
C8 S4 Ag2 S3 . . 77.62(16)
C7 S4 Ag2 S3 . 5_656 156.23(18)
C8 S4 Ag2 S3 . 5_656 -102.38(16)
C7 S4 Ag2 S4 . 6 47.39(18)
C8 S4 Ag2 S4 . 6 148.78(15)
C7 S4 Ag2 S4 . 2_656 -132.61(18)
C8 S4 Ag2 S4 . 2_656 -31.22(15)
C7 S4 Ag2 S4 . 5_656 -168(8)
C8 S4 Ag2 S4 . 5_656 -67(8)
