#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:29:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179181 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/29/4312921.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_4312921
loop_
_publ_author_name
'Yu-Bin Dong'
'Jian-Ping Ma'
'Ru-Qi Huang'
'Mark D. Smith'
'Hans-Conrad zur Loye'
_publ_section_title
;
 Synthesis and Characterization of New Coordination Polymers Generated
 from Oxadiazole-Containing Organic Ligands and Inorganic Silver(I) Salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              294
_journal_page_last               300
_journal_paper_doi               10.1021/ic0204225
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C13 H8 Ag F3 N4 O4 S'
_chemical_formula_weight         481.16
_chemical_name_systematic
;
  ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_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           SHELXL-97
_cell_angle_alpha                116.7300(10)
_cell_angle_beta                 94.6890(10)
_cell_angle_gamma                108.7540(10)
_cell_formula_units_Z            4
_cell_length_a                   10.1231(7)
_cell_length_b                   13.8340(10)
_cell_length_c                   13.9284(10)
_cell_measurement_reflns_used    5680
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.360
_cell_measurement_theta_min      2.216
_cell_volume                     1589.4(2)
_computing_cell_refinement       'SAINT+ NT V6.02a (Bruker, 1998)'
_computing_data_collection       'SMART NT V5.624 (Bruker, 2000)'
_computing_data_reduction        'SAINT+ NT V6.02a'
_computing_molecular_graphics    'SHELXTL V5.1 (Sheldrick, 1997)'
_computing_publication_material  'SHELXTL V5.1'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'omega 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  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0395
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14738
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        none
_exptl_absorpt_coefficient_mu    1.462
_exptl_absorpt_correction_T_max  0.7728
_exptl_absorpt_correction_T_min  0.5455
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS, Bruker, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.011
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             944
_exptl_crystal_size_max          0.48
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.705
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.070
_refine_ls_extinction_coef       0.0083(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     543
_refine_ls_number_reflns         6498
_refine_ls_number_restraints     57
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0351
_refine_ls_R_factor_gt           0.0286
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
; calc
  [0.00000+1.00000exp(1.80(sinθ/λ)²)]/
    [σ²(Fo²)+0.0000+0.0000*P+(0.0333P)²+0.0000sinθ/λ]
  where P = 0.33333Fo² + 0.66667Fc²
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0642
_refine_ls_wR_factor_ref         0.0660
_reflns_number_gt                5022
_reflns_number_total             6498
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0204225_1.cif
_cod_data_source_block           compound1
_cod_database_code               4312921
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag -0.58107(2) 0.81166(2) 0.422038(18) 0.04968(9) Uani 1 1 d . . .
Ag2 Ag 0.32857(2) 0.75130(2) 0.717587(17) 0.04922(9) Uani 1 1 d . . .
C1 C -0.3524(3) 0.7358(3) 0.4868(2) 0.0432(6) Uani 1 1 d . . .
H1 H -0.3958 0.6751 0.4131 0.052 Uiso 1 1 calc R . .
C2 C -0.2375(3) 0.7354(2) 0.5459(2) 0.0418(6) Uani 1 1 d . . .
H2 H -0.2043 0.6758 0.5129 0.050 Uiso 1 1 calc R . .
C3 C -0.1717(3) 0.8255(2) 0.6558(2) 0.0335(5) Uani 1 1 d . . .
C4 C -0.2231(3) 0.9135(3) 0.7002(2) 0.0419(6) Uani 1 1 d . . .
H4 H -0.1801 0.9761 0.7731 0.050 Uiso 1 1 calc R . .
C5 C -0.3391(3) 0.9067(3) 0.6345(2) 0.0444(7) Uani 1 1 d . . .
H5 H -0.3730 0.9661 0.6648 0.053 Uiso 1 1 calc R . .
C6 C -0.0510(3) 0.8245(2) 0.7195(2) 0.0333(5) Uani 1 1 d . . .
C7 C 0.1227(3) 0.8823(2) 0.8544(2) 0.0332(5) Uani 1 1 d . . .
C8 C 0.4236(3) 0.9988(2) 1.1006(2) 0.0381(6) Uani 1 1 d . . .
H8 H 0.4762 0.9700 1.1305 0.046 Uiso 1 1 calc R . .
C9 C 0.3106(3) 0.9187(2) 1.0057(2) 0.0362(6) Uani 1 1 d . . .
H9 H 0.2878 0.8380 0.9722 0.043 Uiso 1 1 calc R . .
C10 C 0.2316(3) 0.9622(2) 0.9615(2) 0.0331(5) Uani 1 1 d . . .
C11 C 0.2654(3) 1.0817(2) 1.0163(2) 0.0420(6) Uani 1 1 d . . .
H11 H 0.2118 1.1126 0.9902 0.050 Uiso 1 1 calc R . .
C12 C 0.3804(3) 1.1549(2) 1.1107(2) 0.0432(6) Uani 1 1 d . . .
H12 H 0.4027 1.2356 1.1476 0.052 Uiso 1 1 calc R . .
C13 C 0.1347(3) 0.6108(3) 0.4695(2) 0.0444(7) Uani 1 1 d . . .
H13 H 0.0797 0.6522 0.5030 0.053 Uiso 1 1 calc R . .
C14 C 0.0954(3) 0.5427(2) 0.3550(2) 0.0407(6) Uani 1 1 d . . .
H14 H 0.0159 0.5385 0.3123 0.049 Uiso 1 1 calc R . .
C15 C 0.1764(3) 0.4808(2) 0.3047(2) 0.0325(5) Uani 1 1 d . . .
C16 C 0.2939(3) 0.4893(2) 0.3712(2) 0.0391(6) Uani 1 1 d . . .
H16 H 0.3505 0.4486 0.3398 0.047 Uiso 1 1 calc R . .
C17 C 0.3246(3) 0.5595(2) 0.4852(2) 0.0394(6) Uani 1 1 d . . .
H17 H 0.4031 0.5647 0.5298 0.047 Uiso 1 1 calc R . .
C18 C 0.1380(3) 0.4031(2) 0.1842(2) 0.0355(6) Uani 1 1 d . . .
C19 C 0.0341(3) 0.3271(2) 0.0140(2) 0.0398(6) Uani 1 1 d . . .
C20 C -0.2743(3) 0.3033(3) -0.1720(2) 0.0524(8) Uani 1 1 d . . .
H20 H -0.3565 0.3197 -0.1665 0.063 Uiso 1 1 calc R . .
C21 C -0.1830(3) 0.3319(3) -0.0759(2) 0.0488(7) Uani 1 1 d . . .
H21 H -0.2023 0.3675 -0.0072 0.059 Uiso 1 1 calc R . .
C22 C -0.0617(3) 0.3063(2) -0.0841(2) 0.0395(6) Uani 1 1 d . . .
C23 C -0.0353(3) 0.2578(3) -0.1868(2) 0.0537(8) Uani 1 1 d . . .
H23 H 0.0468 0.2416 -0.1943 0.064 Uiso 1 1 calc R . .
C24 C -0.1311(3) 0.2334(3) -0.2782(2) 0.0554(8) Uani 1 1 d . . .
H24 H -0.1111 0.2016 -0.3472 0.066 Uiso 1 1 calc R . .
N1 N -0.4052(2) 0.8186(2) 0.52921(18) 0.0389(5) Uani 1 1 d . . .
N2 N -0.0002(2) 0.74459(19) 0.68635(17) 0.0360(5) Uani 1 1 d . . .
N3 N 0.1149(2) 0.78310(19) 0.77567(18) 0.0377(5) Uani 1 1 d . . .
N4 N 0.4615(2) 1.1156(2) 1.15194(17) 0.0389(5) Uani 1 1 d . . .
N5 N 0.2479(2) 0.62048(19) 0.53493(17) 0.0391(5) Uani 1 1 d . . .
N6 N 0.1791(3) 0.3205(2) 0.12999(19) 0.0535(7) Uani 1 1 d . . .
N7 N 0.1108(3) 0.2700(2) 0.01643(19) 0.0573(7) Uani 1 1 d . . .
N8 N -0.2515(3) 0.2533(2) -0.27298(19) 0.0457(6) Uani 1 1 d . . .
O1 O 0.02005(18) 0.91484(15) 0.82541(14) 0.0363(4) Uani 1 1 d . . .
O2 O 0.04396(19) 0.41257(16) 0.11705(14) 0.0375(4) Uani 1 1 d . . .
S3 S 0.68270(8) 0.47140(6) 0.23060(6) 0.04146(17) Uani 1 1 d D . .
O11 O 0.8003(2) 0.5844(2) 0.2963(2) 0.0665(6) Uani 1 1 d D . .
O12 O 0.5786(2) 0.4437(2) 0.28776(17) 0.0570(5) Uani 1 1 d D . .
O13 O 0.7214(3) 0.3757(2) 0.16459(18) 0.0596(6) Uani 1 1 d D . .
C31 C 0.5826(4) 0.4854(3) 0.1267(3) 0.0581(8) Uani 1 1 d D . .
F11 F 0.4794(3) 0.3843(2) 0.05135(18) 0.0944(8) Uani 1 1 d D . .
F12 F 0.5232(3) 0.5616(2) 0.1733(2) 0.0971(8) Uani 1 1 d D . .
F13 F 0.6678(3) 0.5228(2) 0.0728(2) 0.0956(8) Uani 1 1 d D . .
S4A S 0.6746(8) 0.9971(7) 0.3515(8) 0.0496(16) Uani 0.360(7) 1 d PD A 1
O21 O 0.5461(10) 0.9070(10) 0.2893(14) 0.163(7) Uani 0.360(7) 1 d PD A 1
O22 O 0.681(2) 1.0407(16) 0.4626(8) 0.158(9) Uani 0.360(7) 1 d PD . 1
O23 O 0.7218(16) 1.0802(13) 0.3160(15) 0.120(7) Uani 0.360(7) 1 d PD A 1
C41A C 0.8058(17) 0.9350(14) 0.3318(16) 0.131(13) Uani 0.360(7) 1 d PD A 1
F21 F 0.9271(15) 1.0129(18) 0.400(2) 0.297(16) Uani 0.360(7) 1 d PD A 1
F22 F 0.807(2) 0.8881(18) 0.2237(11) 0.181(10) Uani 0.360(7) 1 d PD A 1
F23 F 0.7553(13) 0.8414(9) 0.3420(11) 0.089(4) Uani 0.360(7) 1 d PD A 1
S4B S 0.7123(5) 1.0271(4) 0.3670(5) 0.0518(10) Uani 0.640(7) 1 d PD A 2
O31 O 0.8368(9) 1.1284(5) 0.4504(4) 0.149(4) Uani 0.640(7) 1 d PD A 2
O32 O 0.6879(11) 1.0338(9) 0.2732(7) 0.122(4) Uani 0.640(7) 1 d PD A 2
O33 O 0.5961(8) 0.9956(7) 0.4110(9) 0.121(4) Uani 0.640(7) 1 d PD A 2
C41B C 0.7738(13) 0.9115(10) 0.3328(11) 0.106(5) Uani 0.640(7) 1 d PD A 2
F31 F 0.6718(12) 0.8123(6) 0.2617(12) 0.260(7) Uani 0.640(7) 1 d PD A 2
F32 F 0.8312(9) 0.9192(11) 0.4288(10) 0.203(5) Uani 0.640(7) 1 d PD A 2
F33 F 0.8967(11) 0.9467(8) 0.3032(11) 0.151(5) Uani 0.640(7) 1 d PD A 2
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'
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
_geom_angle_publ_flag
N1 Ag1 N8 159.12(9) . 2_465 ?
N1 Ag1 O22 110.2(3) . 2_576 ?
N8 Ag1 O22 90.2(3) 2_465 2_576 ?
N5 Ag2 N4 139.62(8) . 2_677 ?
N5 Ag2 N3 105.40(8) . . ?
N4 Ag2 N3 113.18(7) 2_677 . ?
N1 C1 C2 123.6(2) . . ?
C1 C2 C3 118.7(3) . . ?
C4 C3 C2 118.4(2) . . ?
C4 C3 C6 122.7(2) . . ?
C2 C3 C6 119.0(2) . . ?
C5 C4 C3 118.9(2) . . ?
N1 C5 C4 123.1(3) . . ?
N2 C6 O1 113.1(2) . . ?
N2 C6 C3 126.7(2) . . ?
O1 C6 C3 120.1(2) . . ?
N3 C7 O1 112.4(2) . . ?
N3 C7 C10 127.7(2) . . ?
O1 C7 C10 119.7(2) . . ?
N4 C8 C9 123.5(2) . . ?
C8 C9 C10 118.1(2) . . ?
C11 C10 C9 119.0(2) . . ?
C11 C10 C7 121.0(2) . . ?
C9 C10 C7 119.8(2) . . ?
C10 C11 C12 118.6(2) . . ?
N4 C12 C11 123.4(3) . . ?
N5 C13 C14 123.4(3) . . ?
C13 C14 C15 118.6(2) . . ?
C14 C15 C16 118.9(2) . . ?
C14 C15 C18 121.7(2) . . ?
C16 C15 C18 119.3(2) . . ?
C17 C16 C15 118.3(2) . . ?
N5 C17 C16 123.5(2) . . ?
N6 C18 O2 112.7(2) . . ?
N6 C18 C15 127.8(2) . . ?
O2 C18 C15 119.5(2) . . ?
N7 C19 O2 112.9(2) . . ?
N7 C19 C22 127.4(2) . . ?
O2 C19 C22 119.7(2) . . ?
N8 C20 C21 123.6(3) . . ?
C20 C21 C22 118.3(3) . . ?
C23 C22 C21 118.6(2) . . ?
C23 C22 C19 120.6(2) . . ?
C21 C22 C19 120.8(2) . . ?
C24 C23 C22 119.4(3) . . ?
N8 C24 C23 123.1(3) . . ?
C1 N1 C5 117.3(2) . . ?
C1 N1 Ag1 119.12(17) . . ?
C5 N1 Ag1 123.37(18) . . ?
C6 N2 N3 105.6(2) . . ?
C7 N3 N2 106.6(2) . . ?
C7 N3 Ag2 123.13(17) . . ?
N2 N3 Ag2 113.36(15) . . ?
C12 N4 C8 117.3(2) . . ?
C12 N4 Ag2 118.20(18) . 2_677 ?
C8 N4 Ag2 123.63(17) . 2_677 ?
C17 N5 C13 117.3(2) . . ?
C17 N5 Ag2 119.60(17) . . ?
C13 N5 Ag2 122.52(18) . . ?
C18 N6 N7 106.4(2) . . ?
C19 N7 N6 105.7(2) . . ?
C24 N8 C20 117.0(2) . . ?
C24 N8 Ag1 122.30(19) . 2_465 ?
C20 N8 Ag1 120.25(19) . 2_465 ?
C7 O1 C6 102.22(19) . . ?
C19 O2 C18 102.31(19) . . ?
O11 S3 O12 114.61(15) . . ?
O11 S3 O13 115.64(15) . . ?
O12 S3 O13 113.82(14) . . ?
O11 S3 C31 104.24(16) . . ?
O12 S3 C31 103.28(15) . . ?
O13 S3 C31 103.12(14) . . ?
F11 C31 F13 106.6(3) . . ?
F11 C31 F12 107.9(3) . . ?
F13 C31 F12 107.7(3) . . ?
F11 C31 S3 111.9(2) . . ?
F13 C31 S3 111.3(2) . . ?
F12 C31 S3 111.2(2) . . ?
O21 S4A O22 110.1(12) . . ?
O21 S4A O23 115.1(11) . . ?
O22 S4A O23 117.0(12) . . ?
O21 S4A C41A 106.3(10) . . ?
O22 S4A C41A 103.8(9) . . ?
O23 S4A C41A 103.0(9) . . ?
S4A O22 Ag1 126.3(8) . 2_576 ?
F21 C41A F23 114.4(15) . . ?
F21 C41A F22 114.7(16) . . ?
F23 C41A F22 102.4(14) . . ?
F21 C41A S4A 109.3(12) . . ?
F23 C41A S4A 106.9(10) . . ?
F22 C41A S4A 108.6(12) . . ?
O32 S4B O33 119.6(7) . . ?
O32 S4B O31 110.8(6) . . ?
O33 S4B O31 112.8(6) . . ?
O32 S4B C41B 106.6(7) . . ?
O33 S4B C41B 103.2(6) . . ?
O31 S4B C41B 101.6(6) . . ?
F31 C41B F33 117.8(11) . . ?
F31 C41B F32 115.6(13) . . ?
F33 C41B F32 99.4(10) . . ?
F31 C41B S4B 109.8(9) . . ?
F33 C41B S4B 104.7(8) . . ?
F32 C41B S4B 108.6(8) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ag1 N1 2.176(2) . ?
Ag1 N8 2.181(2) 2_465 ?
Ag1 O22 2.537(11) 2_576 ?
Ag2 N5 2.232(2) . ?
Ag2 N4 2.247(2) 2_677 ?
Ag2 N3 2.470(2) . ?
C1 N1 1.335(4) . ?
C1 C2 1.372(4) . ?
C2 C3 1.387(3) . ?
C3 C4 1.385(4) . ?
C3 C6 1.458(3) . ?
C4 C5 1.379(4) . ?
C5 N1 1.339(3) . ?
C6 N2 1.283(3) . ?
C6 O1 1.359(3) . ?
C7 N3 1.287(3) . ?
C7 O1 1.356(3) . ?
C7 C10 1.459(3) . ?
C8 N4 1.337(3) . ?
C8 C9 1.380(3) . ?
C9 C10 1.393(3) . ?
C10 C11 1.376(4) . ?
C11 C12 1.380(4) . ?
C12 N4 1.337(3) . ?
C13 N5 1.334(3) . ?
C13 C14 1.376(4) . ?
C14 C15 1.379(4) . ?
C15 C16 1.384(3) . ?
C15 C18 1.457(3) . ?
C16 C17 1.378(4) . ?
C17 N5 1.334(3) . ?
C18 N6 1.277(3) . ?
C18 O2 1.358(3) . ?
C19 N7 1.282(4) . ?
C19 O2 1.357(3) . ?
C19 C22 1.463(3) . ?
C20 N8 1.338(4) . ?
C20 C21 1.374(4) . ?
C21 C22 1.382(4) . ?
C22 C23 1.372(4) . ?
C23 C24 1.370(4) . ?
C24 N8 1.334(4) . ?
N2 N3 1.399(3) . ?
N4 Ag2 2.247(2) 2_677 ?
N6 N7 1.409(3) . ?
N8 Ag1 2.181(2) 2_465 ?
S3 O11 1.427(2) . ?
S3 O12 1.430(2) . ?
S3 O13 1.431(2) . ?
S3 C31 1.816(3) . ?
C31 F11 1.308(4) . ?
C31 F13 1.320(4) . ?
C31 F12 1.322(4) . ?
S4A O21 1.340(10) . ?
S4A O22 1.371(12) . ?
S4A O23 1.412(12) . ?
S4A C41A 1.778(12) . ?
O22 Ag1 2.537(11) 2_576 ?
C41A F21 1.270(17) . ?
C41A F23 1.307(14) . ?
C41A F22 1.348(17) . ?
S4B O32 1.359(8) . ?
S4B O33 1.407(6) . ?
S4B O31 1.436(8) . ?
S4B C41B 1.782(9) . ?
C41B F31 1.277(13) . ?
C41B F33 1.352(12) . ?
C41B F32 1.357(13) . ?
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
N1 C1 C2 C3 0.0(4) . . . . ?
C1 C2 C3 C4 -1.4(4) . . . . ?
C1 C2 C3 C6 179.1(3) . . . . ?
C2 C3 C4 C5 1.4(4) . . . . ?
C6 C3 C4 C5 -179.2(3) . . . . ?
C3 C4 C5 N1 0.1(5) . . . . ?
C4 C3 C6 N2 177.3(3) . . . . ?
C2 C3 C6 N2 -3.3(4) . . . . ?
C4 C3 C6 O1 -2.8(4) . . . . ?
C2 C3 C6 O1 176.6(2) . . . . ?
N4 C8 C9 C10 -0.3(4) . . . . ?
C8 C9 C10 C11 -2.6(4) . . . . ?
C8 C9 C10 C7 172.8(2) . . . . ?
N3 C7 C10 C11 152.1(3) . . . . ?
O1 C7 C10 C11 -22.6(4) . . . . ?
N3 C7 C10 C9 -23.2(4) . . . . ?
O1 C7 C10 C9 162.1(2) . . . . ?
C9 C10 C11 C12 2.6(4) . . . . ?
C7 C10 C11 C12 -172.7(3) . . . . ?
C10 C11 C12 N4 0.2(5) . . . . ?
N5 C13 C14 C15 0.2(5) . . . . ?
C13 C14 C15 C16 0.1(4) . . . . ?
C13 C14 C15 C18 177.5(3) . . . . ?
C14 C15 C16 C17 0.0(4) . . . . ?
C18 C15 C16 C17 -177.4(2) . . . . ?
C15 C16 C17 N5 -0.5(4) . . . . ?
C14 C15 C18 N6 -161.2(3) . . . . ?
C16 C15 C18 N6 16.2(4) . . . . ?
C14 C15 C18 O2 16.4(4) . . . . ?
C16 C15 C18 O2 -166.2(2) . . . . ?
N8 C20 C21 C22 -0.8(5) . . . . ?
C20 C21 C22 C23 2.4(5) . . . . ?
C20 C21 C22 C19 -175.7(3) . . . . ?
N7 C19 C22 C23 -28.1(5) . . . . ?
O2 C19 C22 C23 154.4(3) . . . . ?
N7 C19 C22 C21 150.1(3) . . . . ?
O2 C19 C22 C21 -27.5(4) . . . . ?
C21 C22 C23 C24 -1.7(5) . . . . ?
C19 C22 C23 C24 176.5(3) . . . . ?
C22 C23 C24 N8 -0.9(5) . . . . ?
C2 C1 N1 C5 1.5(4) . . . . ?
C2 C1 N1 Ag1 176.9(2) . . . . ?
C4 C5 N1 C1 -1.6(4) . . . . ?
C4 C5 N1 Ag1 -176.8(2) . . . . ?
N8 Ag1 N1 C1 3.0(4) 2_465 . . . ?
O22 Ag1 N1 C1 170.3(5) 2_576 . . . ?
N8 Ag1 N1 C5 178.1(2) 2_465 . . . ?
O22 Ag1 N1 C5 -14.6(6) 2_576 . . . ?
O1 C6 N2 N3 -0.4(3) . . . . ?
C3 C6 N2 N3 179.5(2) . . . . ?
O1 C7 N3 N2 0.2(3) . . . . ?
C10 C7 N3 N2 -174.9(2) . . . . ?
O1 C7 N3 Ag2 133.76(18) . . . . ?
C10 C7 N3 Ag2 -41.3(4) . . . . ?
C6 N2 N3 C7 0.1(3) . . . . ?
C6 N2 N3 Ag2 -138.49(18) . . . . ?
N5 Ag2 N3 C7 -147.8(2) . . . . ?
N4 Ag2 N3 C7 20.0(2) 2_677 . . . ?
N5 Ag2 N3 N2 -16.89(18) . . . . ?
N4 Ag2 N3 N2 150.91(15) 2_677 . . . ?
C11 C12 N4 C8 -3.0(4) . . . . ?
C11 C12 N4 Ag2 166.9(2) . . . 2_677 ?
C9 C8 N4 C12 3.0(4) . . . . ?
C9 C8 N4 Ag2 -166.2(2) . . . 2_677 ?
C16 C17 N5 C13 0.7(4) . . . . ?
C16 C17 N5 Ag2 -170.9(2) . . . . ?
C14 C13 N5 C17 -0.6(4) . . . . ?
C14 C13 N5 Ag2 170.8(2) . . . . ?
N4 Ag2 N5 C17 36.8(3) 2_677 . . . ?
N3 Ag2 N5 C17 -160.7(2) . . . . ?
N4 Ag2 N5 C13 -134.4(2) 2_677 . . . ?
N3 Ag2 N5 C13 28.2(2) . . . . ?
O2 C18 N6 N7 1.1(3) . . . . ?
C15 C18 N6 N7 178.9(3) . . . . ?
O2 C19 N7 N6 -0.2(4) . . . . ?
C22 C19 N7 N6 -177.9(3) . . . . ?
C18 N6 N7 C19 -0.6(4) . . . . ?
C23 C24 N8 C20 2.5(5) . . . . ?
C23 C24 N8 Ag1 -170.0(3) . . . 2_465 ?
C21 C20 N8 C24 -1.7(5) . . . . ?
C21 C20 N8 Ag1 171.0(3) . . . 2_465 ?
N3 C7 O1 C6 -0.4(3) . . . . ?
C10 C7 O1 C6 175.1(2) . . . . ?
N2 C6 O1 C7 0.5(3) . . . . ?
C3 C6 O1 C7 -179.4(2) . . . . ?
N7 C19 O2 C18 0.8(3) . . . . ?
C22 C19 O2 C18 178.7(2) . . . . ?
N6 C18 O2 C19 -1.2(3) . . . . ?
C15 C18 O2 C19 -179.1(2) . . . . ?
O11 S3 C31 F11 172.8(3) . . . . ?
O12 S3 C31 F11 -67.1(3) . . . . ?
O13 S3 C31 F11 51.7(3) . . . . ?
O11 S3 C31 F13 53.7(3) . . . . ?
O12 S3 C31 F13 173.8(2) . . . . ?
O13 S3 C31 F13 -67.5(3) . . . . ?
O11 S3 C31 F12 -66.4(3) . . . . ?
O12 S3 C31 F12 53.7(3) . . . . ?
O13 S3 C31 F12 172.4(3) . . . . ?
O21 S4A O22 Ag1 -82.9(17) . . . 2_576 ?
O23 S4A O22 Ag1 51.0(18) . . . 2_576 ?
C41A S4A O22 Ag1 163.6(12) . . . 2_576 ?
O21 S4A C41A F21 -170.9(16) . . . . ?
O22 S4A C41A F21 -54.8(18) . . . . ?
O23 S4A C41A F21 67.7(18) . . . . ?
O21 S4A C41A F23 -46.6(17) . . . . ?
O22 S4A C41A F23 69.6(16) . . . . ?
O23 S4A C41A F23 -167.9(14) . . . . ?
O21 S4A C41A F22 63.3(17) . . . . ?
O22 S4A C41A F22 179.4(16) . . . . ?
O23 S4A C41A F22 -58.1(17) . . . . ?
O32 S4B C41B F31 -66.8(13) . . . . ?
O33 S4B C41B F31 60.1(12) . . . . ?
O31 S4B C41B F31 177.2(11) . . . . ?
O32 S4B C41B F33 60.5(12) . . . . ?
O33 S4B C41B F33 -172.6(10) . . . . ?
O31 S4B C41B F33 -55.5(11) . . . . ?
O32 S4B C41B F32 166.0(9) . . . . ?
O33 S4B C41B F32 -67.2(10) . . . . ?
O31 S4B C41B F32 50.0(10) . . . . ?
