#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/24/4322493.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_4322493
loop_
_publ_author_name
'Gui Ling Ning'
'Megumu Munakata'
'Liang Ping Wu'
'Masahiko Maekawa'
'Yusaku Suenaga'
'Takayoshi Kuroda-Sowa'
'Kunihisa Sugimoto'
_publ_section_title
;
 Mobility of Silver(I) Ions around the Propeller Ligand, Hexaphenylbenzene
 (HPB), in Silver(I) π-Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5668
_journal_page_last               5673
_journal_paper_doi               10.1021/ic990143q
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C25.5 H19 Ag F3 O3 S'
_chemical_formula_weight         570.35
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Tue Feb  9 08:22:47 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 110.96(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   18.200(4)
_cell_length_b                   16.831(7)
_cell_length_c                   16.244(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      14.3
_cell_measurement_theta_min      10.7
_cell_volume                     4647(2)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR88
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_orient_matrix_UB_11      0.04998
_diffrn_orient_matrix_UB_12      0.03134
_diffrn_orient_matrix_UB_13      0.02105
_diffrn_orient_matrix_UB_21      -0.03098
_diffrn_orient_matrix_UB_22      0.05045
_diffrn_orient_matrix_UB_23      -0.01492
_diffrn_orient_matrix_UB_31      -0.00209
_diffrn_orient_matrix_UB_32      0.00153
_diffrn_orient_matrix_UB_33      0.06066
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.037
_diffrn_reflns_av_sigmaI/netI    0.086
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            4227
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.29
_diffrn_standards_decay_%        -3.82
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.005
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.630
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2288.00
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.250
_refine_diff_density_max         0.61
_refine_diff_density_min         -0.49
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   2.390
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     304
_refine_ls_number_reflns         1987
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0565
_refine_ls_R_factor_gt           0.0565
_refine_ls_shift/su_max          0.0010
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00022|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0673
_refine_ls_wR_factor_ref         0.0673
_reflns_number_gt                1987
_reflns_number_total             4093
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            ic990143q_2.cif
_cod_data_source_block           '[Ag2(HPB)(CF3SO3)2(toluene)]'
_cod_original_cell_volume        4646(2)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C25.50 H19 Ag F3 O3 S '
_cod_database_code               4322493
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,1/2-z
-x,-y,-z
x,-y,1/2+z
1/2+x,1/2+y,z
1/2-x,1/2+y,1/2-z
1/2-x,1/2-y,-z
1/2+x,1/2-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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag(1) Ag 0.80016(6) 0.22538(6) 0.66957(5) 0.0930(3) Uani 1.00 d . . .
S(1) S 0.6409(2) 0.3089(2) 0.4957(2) 0.090(1) Uani 1.00 d . . .
F(1) F 0.5953(6) 0.3719(8) 0.6096(7) 0.219(6) Uani 1.00 d . . .
F(2) F 0.6172(7) 0.4497(6) 0.5247(9) 0.239(6) Uani 1.00 d . . .
F(3) F 0.5143(5) 0.3886(6) 0.4796(7) 0.173(4) Uani 1.00 d . . .
O(1) O 0.5989(8) 0.2367(7) 0.4974(9) 0.228(6) Uani 1.00 d . . .
O(2) O 0.7151(5) 0.3081(6) 0.5558(6) 0.140(4) Uani 1.00 d . . .
O(3) O 0.8732(7) 0.1757(8) 0.5901(6) 0.216(6) Uani 1.00 d . . .
C(1) C 0.7073(6) 0.1394(6) 0.1797(6) 0.075(3) Uani 1.00 d . . .
C(2) C 0.6770(6) 0.1214(7) 0.2455(6) 0.086(4) Uani 1.00 d . . .
C(3) C 0.6109(6) 0.1569(6) 0.2471(6) 0.066(3) Uani 1.00 d . . .
C(4) C 0.5751(6) 0.2125(7) 0.1859(7) 0.082(4) Uani 1.00 d . . .
C(5) C 0.6062(6) 0.2316(6) 0.1207(6) 0.076(3) Uani 1.00 d . . .
C(6) C 0.6734(5) 0.1963(5) 0.1186(5) 0.043(3) Uani 1.00 d . . .
C(7) C 0.8106(6) 0.3254(7) 0.2352(7) 0.084(4) Uani 1.00 d . . .
C(8) C 0.8071(7) 0.3657(7) 0.3118(6) 0.089(4) Uani 1.00 d . . .
C(9) C 0.7516(8) 0.4190(7) 0.3029(7) 0.092(5) Uani 1.00 d . . .
C(10) C 0.6997(8) 0.4365(7) 0.2230(8) 0.096(5) Uani 1.00 d . . .
C(11) C 0.7026(6) 0.3989(6) 0.1471(6) 0.074(3) Uani 1.00 d . . .
C(12) C 0.7574(5) 0.3417(5) 0.1539(5) 0.045(3) Uani 1.00 d . . .
C(13) C 0.6902(6) 0.0305(6) -0.0264(5) 0.061(3) Uani 1.00 d . . .
C(14) C 0.6430(9) -0.0372(6) -0.0453(7) 0.083(4) Uani 1.00 d . . .
C(15) C 0.5632(9) -0.0316(8) -0.0777(8) 0.098(5) Uani 1.00 d . . .
C(16) C 0.5296(7) 0.0416(9) -0.091(1) 0.121(6) Uani 1.00 d . . .
C(17) C 0.5768(7) 0.1108(6) -0.0728(8) 0.085(4) Uani 1.00 d . . .
C(18) C 0.6571(5) 0.1055(5) -0.0411(5) 0.048(3) Uani 1.00 d . . .
C(19) C 0.7056(4) 0.1785(4) -0.0197(5) 0.040(2) Uani 1.00 d . . .
C(20) C 0.7107(4) 0.2239(5) 0.0546(4) 0.041(2) Uani 1.00 d . . .
C(21) C 0.7543(5) 0.2950(4) 0.0737(5) 0.041(2) Uani 1.00 d . . .
C(22) C 0.5824(10) 0.3805(9) 0.5250(10) 0.110(6) Uani 1.00 d . . .
C(23) C 1.0000 -0.046(3) 0.2500 0.29(3) Uani 1.00 d S . .
C(24) C 1.0000 0.029(1) 0.2500 0.16(1) Uani 1.00 d S . .
C(25) C 0.941(1) 0.076(2) 0.179(2) 0.20(1) Uani 1.00 d . . .
C(26) C 0.932(1) 0.150(2) 0.169(2) 0.21(1) Uani 1.00 d . . .
C(27) C 1.0000 0.183(3) 0.2500 0.21(2) Uani 1.00 d S . .
H(1) H 0.7516 0.1099 0.1753 0.0899 Uiso 1.00 calc . . .
H(2) H 0.7009 0.0822 0.2878 0.1020 Uiso 1.00 calc . . .
H(3) H 0.5874 0.1416 0.2876 0.0790 Uiso 1.00 calc . . .
H(4) H 0.5292 0.2380 0.1872 0.0963 Uiso 1.00 calc . . .
H(5) H 0.5805 0.2707 0.0775 0.0881 Uiso 1.00 calc . . .
H(6) H 0.8517 0.2886 0.2414 0.0981 Uiso 1.00 calc . . .
H(7) H 0.8431 0.3531 0.3681 0.1051 Uiso 1.00 calc . . .
H(8) H 0.7464 0.4439 0.3529 0.1085 Uiso 1.00 calc . . .
H(9) H 0.6611 0.4759 0.2179 0.1089 Uiso 1.00 calc . . .
H(10) H 0.6652 0.4129 0.0910 0.0887 Uiso 1.00 calc . . .
H(11) H 0.7463 0.0250 -0.0034 0.0750 Uiso 1.00 calc . . .
H(12) H 0.6684 -0.0892 -0.0347 0.0961 Uiso 1.00 calc . . .
H(13) H 0.5327 -0.0780 -0.0858 0.1234 Uiso 1.00 calc . . .
H(14) H 0.4727 0.0479 -0.1164 0.1424 Uiso 1.00 calc . . .
H(15) H 0.5502 0.1629 -0.0888 0.1032 Uiso 1.00 calc . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ag Ag -0.897 1.101
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S S 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
F F 0.017 0.010
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-1 1 4
2 0 2
2 2 1
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O(2) Ag(1) O(3) 97.0(3) 1_555 1_555 1_555 yes
O(1) S(1) O(2) 112.1(7) 1_555 1_555 1_555 yes
O(1) S(1) O(3) 106.0(9) 1_555 1_555 7_656 yes
O(1) S(1) C(22) 101.1(8) 1_555 1_555 1_555 yes
O(2) S(1) O(3) 121.3(7) 1_555 1_555 7_656 yes
O(2) S(1) C(22) 110.6(7) 1_555 1_555 1_555 yes
O(3) S(1) C(22) 103.6(7) 7_656 1_555 1_555 yes
Ag(1) O(2) S(1) 140.1(7) 1_555 1_555 1_555 yes
Ag(1) O(3) S(1) 124.9(6) 1_555 1_555 7_656 yes
C(2) C(1) C(6) 120.7(8) 1_555 1_555 1_555 yes
C(2) C(1) H(1) 120.6(9) 1_555 1_555 1_555 no
C(6) C(1) H(1) 118.7(8) 1_555 1_555 1_555 no
C(1) C(2) C(3) 120.9(9) 1_555 1_555 1_555 yes
C(1) C(2) H(2) 120(1) 1_555 1_555 1_555 no
C(3) C(2) H(2) 118.6(9) 1_555 1_555 1_555 no
C(2) C(3) C(4) 119.5(8) 1_555 1_555 1_555 yes
C(2) C(3) H(3) 121(1) 1_555 1_555 1_555 no
C(4) C(3) H(3) 118(1) 1_555 1_555 1_555 no
C(3) C(4) C(5) 119.6(9) 1_555 1_555 1_555 yes
C(3) C(4) H(4) 119.7(9) 1_555 1_555 1_555 no
C(5) C(4) H(4) 120(1) 1_555 1_555 1_555 no
C(4) C(5) C(6) 121.5(8) 1_555 1_555 1_555 yes
C(4) C(5) H(5) 119.3(10) 1_555 1_555 1_555 no
C(6) C(5) H(5) 119.2(8) 1_555 1_555 1_555 no
C(1) C(6) C(5) 117.7(7) 1_555 1_555 1_555 yes
C(1) C(6) C(20) 121.5(7) 1_555 1_555 1_555 yes
C(5) C(6) C(20) 120.7(7) 1_555 1_555 1_555 yes
C(8) C(7) C(12) 120.6(10) 1_555 1_555 1_555 yes
C(8) C(7) H(6) 119(1) 1_555 1_555 1_555 no
C(12) C(7) H(6) 119.7(10) 1_555 1_555 1_555 no
C(7) C(8) C(9) 119(1) 1_555 1_555 1_555 yes
C(7) C(8) H(7) 120(1) 1_555 1_555 1_555 no
C(9) C(8) H(7) 119(1) 1_555 1_555 1_555 no
C(8) C(9) C(10) 120(1) 1_555 1_555 1_555 yes
C(8) C(9) H(8) 120(1) 1_555 1_555 1_555 no
C(10) C(9) H(8) 118(1) 1_555 1_555 1_555 no
C(9) C(10) C(11) 121(1) 1_555 1_555 1_555 yes
C(9) C(10) H(9) 118(1) 1_555 1_555 1_555 no
C(11) C(10) H(9) 119(1) 1_555 1_555 1_555 no
C(10) C(11) C(12) 120.3(9) 1_555 1_555 1_555 yes
C(10) C(11) H(10) 119(1) 1_555 1_555 1_555 no
C(12) C(11) H(10) 120.2(8) 1_555 1_555 1_555 no
C(7) C(12) C(11) 117.9(8) 1_555 1_555 1_555 yes
C(7) C(12) C(21) 121.9(8) 1_555 1_555 1_555 yes
C(11) C(12) C(21) 120.0(7) 1_555 1_555 1_555 yes
C(14) C(13) C(18) 120.8(9) 1_555 1_555 1_555 yes
C(14) C(13) H(11) 119(1) 1_555 1_555 1_555 no
C(18) C(13) H(11) 119.5(9) 1_555 1_555 1_555 no
C(13) C(14) C(15) 121(1) 1_555 1_555 1_555 yes
C(13) C(14) H(12) 118(1) 1_555 1_555 1_555 no
C(15) C(14) H(12) 120(1) 1_555 1_555 1_555 no
C(14) C(15) C(16) 118(1) 1_555 1_555 1_555 yes
C(14) C(15) H(13) 119(1) 1_555 1_555 1_555 no
C(16) C(15) H(13) 121(1) 1_555 1_555 1_555 no
C(15) C(16) C(17) 120(1) 1_555 1_555 1_555 yes
C(15) C(16) H(14) 121(1) 1_555 1_555 1_555 no
C(17) C(16) H(14) 118(1) 1_555 1_555 1_555 no
C(16) C(17) C(18) 120(1) 1_555 1_555 1_555 yes
C(16) C(17) H(15) 118(1) 1_555 1_555 1_555 no
C(18) C(17) H(15) 120.9(10) 1_555 1_555 1_555 no
C(13) C(18) C(17) 117.7(9) 1_555 1_555 1_555 yes
C(13) C(18) C(19) 122.0(8) 1_555 1_555 1_555 yes
C(17) C(18) C(19) 120.2(8) 1_555 1_555 1_555 yes
C(18) C(19) C(20) 120.3(6) 1_555 1_555 1_555 yes
C(18) C(19) C(21) 121.2(7) 1_555 1_555 7_655 yes
C(20) C(19) C(21) 118.5(7) 1_555 1_555 7_655 yes
C(6) C(20) C(19) 121.3(7) 1_555 1_555 1_555 yes
C(6) C(20) C(21) 118.0(6) 1_555 1_555 1_555 yes
C(19) C(20) C(21) 120.7(6) 1_555 1_555 1_555 yes
C(12) C(21) C(19) 120.7(7) 1_555 1_555 7_655 yes
C(12) C(21) C(20) 118.5(6) 1_555 1_555 1_555 yes
C(19) C(21) C(20) 120.8(6) 7_655 1_555 1_555 yes
S(1) C(22) F(1) 107(1) 1_555 1_555 1_555 yes
S(1) C(22) F(2) 105(1) 1_555 1_555 1_555 yes
S(1) C(22) F(3) 119(1) 1_555 1_555 1_555 yes
F(1) C(22) F(2) 101(1) 1_555 1_555 1_555 yes
F(1) C(22) F(3) 114(1) 1_555 1_555 1_555 yes
F(2) C(22) F(3) 106(1) 1_555 1_555 1_555 yes
C(23) C(24) C(25) 122(1) 1_555 1_555 1_555 yes
C(23) C(24) C(25) 122(1) 1_555 1_555 2_755 yes
C(25) C(24) C(25) 115(2) 1_555 1_555 2_755 yes
C(24) C(25) C(26) 130(3) 1_555 1_555 1_555 yes
C(25) C(26) C(27) 102(2) 1_555 1_555 1_555 yes
C(26) C(27) C(26) 138(4) 1_555 1_555 2_755 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag(1) O(2) 2.388(9) 1_555 1_555 yes
Ag(1) O(3) 2.315(8) 1_555 1_555 yes
S(1) O(1) 1.44(1) 1_555 1_555 yes
S(1) O(2) 1.354(8) 1_555 1_555 yes
S(1) O(3) 1.348(8) 1_555 7_656 yes
S(1) C(22) 1.78(1) 1_555 1_555 yes
F(1) C(22) 1.32(1) 1_555 1_555 yes
F(2) C(22) 1.33(2) 1_555 1_555 yes
F(3) C(22) 1.20(2) 1_555 1_555 yes
C(1) C(2) 1.40(1) 1_555 1_555 yes
C(1) C(6) 1.36(1) 1_555 1_555 yes
C(2) C(3) 1.35(1) 1_555 1_555 yes
C(3) C(4) 1.35(1) 1_555 1_555 yes
C(4) C(5) 1.41(1) 1_555 1_555 yes
C(5) C(6) 1.37(1) 1_555 1_555 yes
C(6) C(20) 1.504(9) 1_555 1_555 yes
C(7) C(8) 1.44(1) 1_555 1_555 yes
C(7) C(12) 1.36(1) 1_555 1_555 yes
C(8) C(9) 1.32(1) 1_555 1_555 yes
C(9) C(10) 1.34(1) 1_555 1_555 yes
C(10) C(11) 1.40(1) 1_555 1_555 yes
C(11) C(12) 1.36(1) 1_555 1_555 yes
C(12) C(21) 1.505(10) 1_555 1_555 yes
C(13) C(14) 1.39(1) 1_555 1_555 yes
C(13) C(18) 1.38(1) 1_555 1_555 yes
C(14) C(15) 1.36(2) 1_555 1_555 yes
C(15) C(16) 1.36(2) 1_555 1_555 yes
C(16) C(17) 1.41(2) 1_555 1_555 yes
C(17) C(18) 1.37(1) 1_555 1_555 yes
C(18) C(19) 1.48(1) 1_555 1_555 yes
C(19) C(20) 1.404(10) 1_555 1_555 yes
C(19) C(21) 1.398(10) 1_555 7_655 yes
C(20) C(21) 1.41(1) 1_555 1_555 yes
C(23) C(24) 1.28(5) 1_555 1_555 yes
C(24) C(25) 1.49(2) 1_555 1_555 yes
C(24) C(25) 1.49(2) 1_555 2_755 yes
C(25) C(26) 1.26(3) 1_555 1_555 yes
C(26) C(27) 1.54(4) 1_555 1_555 yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Ag(1) C(8) 2.58(1) 1_555 7_656 ?
Ag(1) C(3) 2.609(10) 1_555 7_656 ?
Ag(1) C(9) 2.70(1) 1_555 7_656 ?
Ag(1) C(4) 2.82(1) 1_555 7_656 ?
Ag(1) C(2) 2.88(1) 1_555 7_656 ?
Ag(1) C(7) 3.07(1) 1_555 7_656 ?
Ag(1) C(10) 3.24(1) 1_555 7_656 ?
Ag(1) C(5) 3.30(1) 1_555 7_656 ?
Ag(1) C(1) 3.381(10) 1_555 7_656 ?
Ag(1) C(6) 3.553(7) 1_555 7_656 ?
Ag(1) C(12) 3.570(7) 1_555 7_656 ?
F(1) C(27) 3.45(2) 1_555 7_656 ?
F(1) C(26) 3.46(2) 1_555 8_455 ?
F(1) C(25) 3.49(2) 1_555 8_455 ?
F(2) C(11) 3.26(1) 1_555 4_565 ?
F(2) C(10) 3.58(2) 1_555 4_565 ?
F(3) C(5) 3.45(1) 1_555 2_655 ?
O(1) C(8) 3.42(2) 1_555 7_656 ?
O(1) C(4) 3.51(2) 1_555 2_655 ?
O(1) C(5) 3.53(2) 1_555 2_655 ?
O(1) C(14) 3.58(2) 1_555 4_555 ?
O(2) C(2) 3.34(1) 1_555 7_656 ?
O(3) C(23) 3.54(3) 1_555 3_756 ?
Ag(1) C(8) 2.58(1) 1_555 7_656 ?
Ag(1) C(3) 2.609(10) 1_555 7_656 ?
Ag(1) C(9) 2.70(1) 1_555 7_656 ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Ag(1) O(2) S(1) O(1) -2(1) 1_555 1_555 1_555 1_555 yes
Ag(1) O(2) S(1) O(3) -128.9(10) 1_555 1_555 1_555 7_656 yes
Ag(1) O(2) S(1) C(22) 109.6(10) 1_555 1_555 1_555 1_555 yes
Ag(1) O(3) S(1) O(1) 87(1) 1_555 1_555 7_656 7_656 yes
Ag(1) O(3) S(1) O(2) -41(1) 1_555 1_555 7_656 7_656 yes
Ag(1) O(3) S(1) C(22) -166.7(9) 1_555 1_555 7_656 7_656 yes
S(1) O(2) Ag(1) O(3) 102.0(10) 1_555 1_555 1_555 1_555 yes
S(1) O(3) Ag(1) O(2) 4(1) 1_555 7_656 7_656 7_656 yes
F(1) C(22) S(1) O(1) 73(1) 1_555 1_555 1_555 1_555 yes
F(1) C(22) S(1) O(2) -45(1) 1_555 1_555 1_555 1_555 yes
F(1) C(22) S(1) O(3) -177(1) 1_555 1_555 1_555 7_656 yes
F(2) C(22) S(1) O(1) -179(1) 1_555 1_555 1_555 1_555 yes
F(2) C(22) S(1) O(2) 61(1) 1_555 1_555 1_555 1_555 yes
F(2) C(22) S(1) O(3) -70(1) 1_555 1_555 1_555 7_656 yes
F(3) C(22) S(1) O(1) -60(1) 1_555 1_555 1_555 1_555 yes
F(3) C(22) S(1) O(2) -178(1) 1_555 1_555 1_555 1_555 yes
F(3) C(22) S(1) O(3) 49(1) 1_555 1_555 1_555 7_656 yes
C(1) C(2) C(3) C(4) -2(1) 1_555 1_555 1_555 1_555 yes
C(1) C(6) C(5) C(4) 2(1) 1_555 1_555 1_555 1_555 yes
C(1) C(6) C(20) C(19) 77(1) 1_555 1_555 1_555 1_555 yes
C(1) C(6) C(20) C(21) -99.1(10) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(6) C(5) -3(1) 1_555 1_555 1_555 1_555 yes
C(2) C(1) C(6) C(20) 172.1(9) 1_555 1_555 1_555 1_555 yes
C(2) C(3) C(4) C(5) 1(1) 1_555 1_555 1_555 1_555 yes
C(3) C(2) C(1) C(6) 3(1) 1_555 1_555 1_555 1_555 yes
C(3) C(4) C(5) C(6) -1(1) 1_555 1_555 1_555 1_555 yes
C(4) C(5) C(6) C(20) -173.2(9) 1_555 1_555 1_555 1_555 yes
C(5) C(6) C(20) C(19) -106.5(10) 1_555 1_555 1_555 1_555 yes
C(5) C(6) C(20) C(21) 76(1) 1_555 1_555 1_555 1_555 yes
C(6) C(20) C(19) C(18) 5(1) 1_555 1_555 1_555 1_555 yes
C(6) C(20) C(19) C(21) -176.1(7) 1_555 1_555 1_555 7_655 yes
C(6) C(20) C(21) C(12) -3(1) 1_555 1_555 1_555 1_555 yes
C(6) C(20) C(21) C(19) 176.2(7) 1_555 1_555 1_555 7_655 yes
C(7) C(8) C(9) C(10) -1(1) 1_555 1_555 1_555 1_555 yes
C(7) C(12) C(11) C(10) -2(1) 1_555 1_555 1_555 1_555 yes
C(7) C(12) C(21) C(19) -94(1) 1_555 1_555 1_555 7_655 yes
C(7) C(12) C(21) C(20) 85(1) 1_555 1_555 1_555 1_555 yes
C(8) C(7) C(12) C(11) 1(1) 1_555 1_555 1_555 1_555 yes
C(8) C(7) C(12) C(21) -173.7(9) 1_555 1_555 1_555 1_555 yes
C(8) C(9) C(10) C(11) 0(1) 1_555 1_555 1_555 1_555 yes
C(9) C(8) C(7) C(12) 0(1) 1_555 1_555 1_555 1_555 yes
C(9) C(10) C(11) C(12) 1(1) 1_555 1_555 1_555 1_555 yes
C(10) C(11) C(12) C(21) 172.9(9) 1_555 1_555 1_555 1_555 yes
C(11) C(12) C(21) C(19) 90(1) 1_555 1_555 1_555 7_655 yes
C(11) C(12) C(21) C(20) -90.3(10) 1_555 1_555 1_555 1_555 yes
C(12) C(21) C(19) C(18) 2(1) 1_555 1_555 7_655 7_655 yes
C(12) C(21) C(19) C(20) -179.7(7) 1_555 1_555 7_655 7_655 yes
C(12) C(21) C(20) C(19) 179.6(7) 1_555 1_555 1_555 1_555 yes
C(13) C(14) C(15) C(16) 0(1) 1_555 1_555 1_555 1_555 yes
C(13) C(18) C(17) C(16) -1(1) 1_555 1_555 1_555 1_555 yes
C(13) C(18) C(19) C(20) -105.0(9) 1_555 1_555 1_555 1_555 yes
C(13) C(18) C(19) C(21) 76(1) 1_555 1_555 1_555 7_655 yes
C(14) C(13) C(18) C(17) 1(1) 1_555 1_555 1_555 1_555 yes
C(14) C(13) C(18) C(19) 178.4(7) 1_555 1_555 1_555 1_555 yes
C(14) C(15) C(16) C(17) 0(2) 1_555 1_555 1_555 1_555 yes
C(15) C(14) C(13) C(18) 0(1) 1_555 1_555 1_555 1_555 yes
C(15) C(16) C(17) C(18) 0(2) 1_555 1_555 1_555 1_555 yes
C(16) C(17) C(18) C(19) -178(1) 1_555 1_555 1_555 1_555 yes
C(17) C(18) C(19) C(20) 71(1) 1_555 1_555 1_555 1_555 yes
C(17) C(18) C(19) C(21) -106.5(10) 1_555 1_555 1_555 7_655 yes
C(18) C(19) C(20) C(21) -177.6(7) 1_555 1_555 1_555 1_555 yes
C(18) C(19) C(21) C(20) 177.5(7) 1_555 1_555 7_655 7_655 yes
C(23) C(24) C(25) C(26) 179(1) 1_555 1_555 1_555 1_555 yes
C(23) C(24) C(25) C(26) 179(1) 1_555 1_555 2_755 2_755 yes
C(24) C(25) C(26) C(27) 1(2) 1_555 1_555 1_555 1_555 yes
C(24) C(25) C(26) C(27) 1(2) 1_555 2_755 2_755 1_555 yes
C(25) C(24) C(25) C(26) 0(1) 1_555 1_555 2_755 2_755 yes
C(25) C(26) C(27) C(26) 0(1) 1_555 1_555 1_555 2_755 yes
