#------------------------------------------------------------------------------
#$Date: 2016-03-26 22:05:20 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180489 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/58/7215840.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_7215840
loop_
_publ_author_name
'Beeching, Lianna J.'
'Hawes, Chris S.'
'Turner, David R.'
'Batten, Stuart R.'
_publ_section_title
;
 The influence of anion, ligand geometry and stoichiometry on the
 structure and dimensionality of a series of
 AgI-bis(cyanobenzyl)piperazine coordination polymers
;
_journal_issue                   28
_journal_name_full               CrystEngComm
_journal_page_first              6459
_journal_paper_doi               10.1039/c4ce00816b
_journal_volume                  16
_journal_year                    2014
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C20 H20 Ag N4, C F3 O3 S'
_chemical_formula_sum            'C21 H20 Ag F3 N4 O3 S'
_chemical_formula_weight         573.34
_chemical_name_systematic
;
 ? 
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
_audit_creation_date             2013-09-30
_audit_creation_method
;
Olex2 1.2
(compiled 2013.09.17 svn.r2790 for OlexSys, GUI svn.r4601)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 115.623(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.6310(8)
_cell_length_b                   16.7804(8)
_cell_length_c                   10.9261(6)
_cell_measurement_reflns_used    4098
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      30.238
_cell_measurement_theta_min      2.428
_cell_volume                     2253.4(2)
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELX, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
'L.J. Bourhis, O.V. Dolomanov, R.J. Gildea, J.A.K. Howard, H. Puschmann, in preparation (2013)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0312
_diffrn_reflns_av_unetI/netI     0.0591
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            15087
_diffrn_reflns_theta_full        33.24
_diffrn_reflns_theta_max         33.24
_diffrn_reflns_theta_min         2.43
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.043
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.6743
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2008/1 (Bruker,2008) was used for absorption correction.
wR2(int) was 0.0594 before and 0.0462 after correction.
The Ratio of minimum to maximum transmission is 0.9033.
The λ/2 correction factor is 0.0015.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1152
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.353
_refine_diff_density_min         -0.809
_refine_diff_density_rms         0.107
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.23(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         8532
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0468
_refine_ls_R_factor_gt           0.0396
_refine_ls_shift/su_max          0.008
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0397P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0833
_refine_ls_wR_factor_ref         0.0875
_reflns_number_gt                7553
_reflns_number_total             8532
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4ce00816b2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7215836--7215842.cif.'
_cod_database_code               7215840
#BEGIN Tags that were not found in dictionaries:
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C18) \\sim Ueq: with sigma of 0.01 and sigma for terminal atoms of 0.2
3.a Secondary CH2 refined with riding coordinates:
 C12(H12A,H12B), C15(H15A,H15B), C13(H13A,H13B), C17(H17A,H17B), C16(H16A,
 H16B), C10(H10A,H10B)
3.b Aromatic/amide H refined with riding coordinates:
 C6(H6), C20(H20), C9(H9), C23(H23), C7(H7), C5(H5), C19(H19), C21(H21)
;
#END Tags that were not found in dictionaries
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 'x, -y, z+1/2'
3 'x+1/2, y+1/2, z'
4 'x+1/2, -y+1/2, z+1/2'
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
Ag1 Ag 0.55286(4) 0.557416(10) 0.83075(4) 0.01357(5) Uani 1 1 d .
C12 C 0.6384(5) 0.5538(2) 0.6086(6) 0.0142(11) Uani 1 1 d .
H12A H 0.6755 0.5295 0.5575 0.017 Uiso 1 1 calc R
H12B H 0.6777 0.6033 0.6516 0.017 Uiso 1 1 calc R
C15 C 0.4652(4) 0.44459(19) 0.5528(6) 0.0113(10) Uani 1 1 d .
H15A H 0.4259 0.3951 0.5095 0.014 Uiso 1 1 calc R
H15B H 0.4277 0.4691 0.6033 0.014 Uiso 1 1 calc R
N11 N 0.6412(3) 0.49775(17) 0.7152(3) 0.0123(7) Uani 1 1 d .
N14 N 0.4633(3) 0.50017(17) 0.4474(3) 0.0106(7) Uani 1 1 d .
C8 C 0.8272(5) 0.4391(2) 0.7695(6) 0.0153(11) Uani 1 1 d .
C18 C 0.2808(4) 0.5616(2) 0.4023(6) 0.0124(10) Uani 1 1 d U
C6 C 0.9499(5) 0.4415(2) 0.6563(7) 0.0216(12) Uani 1 1 d .
H6 H 0.9867 0.4708 0.6145 0.026 Uiso 1 1 calc R
C22 C 0.2095(4) 0.6866(2) 0.4355(5) 0.0146(8) Uani 1 1 d .
C20 C 0.1646(5) 0.5663(3) 0.5140(7) 0.0257(12) Uani 1 1 d .
H20 H 0.1280 0.5390 0.5583 0.031 Uiso 1 1 calc R
C13 C 0.5228(4) 0.5735(2) 0.5128(5) 0.0124(8) Uani 1 1 d .
H13A H 0.4864 0.5997 0.5633 0.015 Uiso 1 1 calc R
H13B H 0.5221 0.6111 0.4425 0.015 Uiso 1 1 calc R
C17 C 0.3506(3) 0.5176(3) 0.3454(4) 0.0149(8) Uani 1 1 d .
H17A H 0.3143 0.4667 0.3049 0.018 Uiso 1 1 calc R
H17B H 0.3541 0.5502 0.2719 0.018 Uiso 1 1 calc R
C16 C 0.5815(4) 0.4245(2) 0.6504(5) 0.0121(8) Uani 1 1 d .
H16A H 0.5815 0.3874 0.7209 0.015 Uiso 1 1 calc R
H16B H 0.6181 0.3978 0.6007 0.015 Uiso 1 1 calc R
C4 C 0.9061(4) 0.3182(3) 0.7296(5) 0.0190(9) Uani 1 1 d .
C10 C 0.7549(4) 0.4817(2) 0.8184(4) 0.0153(8) Uani 1 1 d .
H10A H 0.7893 0.5334 0.8575 0.018 Uiso 1 1 calc R
H10B H 0.7513 0.4501 0.8927 0.018 Uiso 1 1 calc R
C9 C 0.8391(3) 0.3576(2) 0.7791(4) 0.0148(8) Uani 1 1 d .
H9 H 0.8017 0.3276 0.8195 0.018 Uiso 1 1 calc R
C23 C 0.2708(3) 0.6451(2) 0.3842(4) 0.0153(8) Uani 1 1 d .
H23 H 0.3057 0.6722 0.3376 0.018 Uiso 1 1 calc R
C7 C 0.8836(3) 0.4814(3) 0.7061(4) 0.0198(9) Uani 1 1 d .
H7 H 0.8763 0.5377 0.6972 0.024 Uiso 1 1 calc R
C3 C 0.9176(4) 0.2342(3) 0.7437(4) 0.0202(8) Uani 1 1 d .
C5 C 0.9612(4) 0.3606(3) 0.6682(5) 0.0214(9) Uani 1 1 d .
H5 H 1.0059 0.3335 0.6351 0.026 Uiso 1 1 calc R
C19 C 0.2249(4) 0.5229(3) 0.4624(5) 0.0184(9) Uani 1 1 d .
H19 H 0.2273 0.4664 0.4688 0.022 Uiso 1 1 calc R
C24 C 0.1995(4) 0.7727(3) 0.4205(5) 0.0199(8) Uani 1 1 d .
S26 S 0.68266(8) 0.23293(5) 1.00726(10) 0.02674(18) Uani 1 1 d .
N25 N 0.1908(4) 0.8397(2) 0.4131(5) 0.0246(8) Uani 1 1 d .
N2 N 0.9282(4) 0.1657(2) 0.7567(5) 0.0284(10) Uani 1 1 d .
O27 O 0.6395(2) 0.24845(16) 1.1050(3) 0.0319(6) Uani 1 1 d .
O29 O 0.7019(3) 0.30436(17) 0.9479(3) 0.0442(8) Uani 1 1 d .
O28 O 0.7648(3) 0.17250(18) 1.0472(4) 0.0502(9) Uani 1 1 d .
F31 F 0.5339(3) 0.12266(19) 0.9075(4) 0.0666(10) Uani 1 1 d .
F33 F 0.5903(4) 0.1652(3) 0.7675(4) 0.0963(16) Uani 1 1 d .
C21 C 0.1566(4) 0.6479(3) 0.5027(5) 0.0211(9) Uani 1 1 d .
H21 H 0.1160 0.6771 0.5397 0.025 Uiso 1 1 calc R
F32 F 0.4825(3) 0.2375(2) 0.8189(4) 0.0917(14) Uani 1 1 d .
C30 C 0.5674(4) 0.1895(3) 0.8671(4) 0.0431(11) 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'
Ag Ag -0.8971 1.1015 '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'
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'
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
N11 Ag1 N14 129.79(6) . 2_565
N11 Ag1 N25 90.43(13) . 4_565
N11 Ag1 N2 127.49(13) . 3_455
N14 Ag1 N25 126.92(13) 2_565 4_565
N14 Ag1 N2 92.09(13) 2_565 3_455
N2 Ag1 N25 84.70(11) 3_455 4_565
H12A C12 H12B 108.1 . .
N11 C12 H12A 109.6 . .
N11 C12 H12B 109.6 . .
N11 C12 C13 110.5(4) . .
C13 C12 H12A 109.6 . .
C13 C12 H12B 109.6 . .
H15A C15 H15B 108.1 . .
N14 C15 H15A 109.6 . .
N14 C15 H15B 109.6 . .
N14 C15 C16 110.5(4) . .
C16 C15 H15A 109.6 . .
C16 C15 H15B 109.6 . .
C12 N11 Ag1 108.1(3) . .
C12 N11 C10 111.8(4) . .
C16 N11 Ag1 108.2(2) . .
C16 N11 C12 109.3(3) . .
C16 N11 C10 112.9(3) . .
C10 N11 Ag1 106.3(2) . .
C15 N14 Ag1 109.3(2) . 2_564
C15 N14 C13 109.2(3) . .
C15 N14 C17 112.0(4) . .
C13 N14 Ag1 107.6(2) . 2_564
C13 N14 C17 111.8(3) . .
C17 N14 Ag1 106.8(2) . 2_564
C9 C8 C10 121.6(4) . .
C9 C8 C7 117.5(5) . .
C7 C8 C10 120.8(3) . .
C23 C18 C17 117.5(4) . .
C19 C18 C17 122.6(3) . .
C19 C18 C23 119.9(4) . .
C7 C6 H6 120.0 . .
C5 C6 H6 120.0 . .
C5 C6 C7 120.1(5) . .
C23 C22 C24 120.0(4) . .
C23 C22 C21 121.5(4) . .
C21 C22 C24 118.5(4) . .
C19 C20 H20 119.2 . .
C21 C20 H20 119.2 . .
C21 C20 C19 121.7(5) . .
C12 C13 H13A 109.6 . .
C12 C13 H13B 109.6 . .
N14 C13 C12 110.2(3) . .
N14 C13 H13A 109.6 . .
N14 C13 H13B 109.6 . .
H13A C13 H13B 108.1 . .
N14 C17 C18 114.4(4) . .
N14 C17 H17A 108.7 . .
N14 C17 H17B 108.7 . .
C18 C17 H17A 108.7 . .
C18 C17 H17B 108.7 . .
H17A C17 H17B 107.6 . .
C15 C16 H16A 109.6 . .
C15 C16 H16B 109.6 . .
N11 C16 C15 110.1(3) . .
N11 C16 H16A 109.6 . .
N11 C16 H16B 109.6 . .
H16A C16 H16B 108.1 . .
C9 C4 C3 118.9(4) . .
C5 C4 C9 121.1(4) . .
C5 C4 C3 120.0(4) . .
N11 C10 H10A 108.2 . .
N11 C10 H10B 108.2 . .
C8 C10 N11 116.5(4) . .
C8 C10 H10A 108.2 . .
C8 C10 H10B 108.2 . .
H10A C10 H10B 107.3 . .
C8 C9 C4 120.7(4) . .
C8 C9 H9 119.6 . .
C4 C9 H9 119.6 . .
C18 C23 H23 120.6 . .
C22 C23 C18 118.9(4) . .
C22 C23 H23 120.6 . .
C8 C7 H7 119.3 . .
C6 C7 C8 121.3(4) . .
C6 C7 H7 119.3 . .
N2 C3 C4 179.1(6) . .
C6 C5 C4 119.3(5) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
C18 C19 C20 119.8(4) . .
C18 C19 H19 120.1 . .
C20 C19 H19 120.1 . .
N25 C24 C22 177.3(5) . .
O27 S26 C30 102.5(2) . .
O29 S26 O27 113.15(17) . .
O29 S26 C30 102.4(2) . .
O28 S26 O27 114.6(2) . .
O28 S26 O29 117.2(2) . .
O28 S26 C30 104.6(2) . .
C24 N25 Ag1 141.0(4) . 4_464
C3 N2 Ag1 146.3(4) . 3_545
C22 C21 H21 120.9 . .
C20 C21 C22 118.2(4) . .
C20 C21 H21 120.9 . .
F31 C30 S26 110.5(3) . .
F33 C30 S26 113.2(4) . .
F33 C30 F31 104.2(4) . .
F32 C30 S26 112.6(3) . .
F32 C30 F31 105.9(5) . .
F32 C30 F33 109.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ag1 N11 2.315(3) .
Ag1 N14 2.323(3) 2_565
Ag1 N25 2.421(4) 4_565
Ag1 N2 2.378(4) 3_455
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C12 N11 1.485(6) .
C12 C13 1.503(7) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C15 N14 1.473(6) .
C15 C16 1.517(7) .
N11 C16 1.475(5) .
N11 C10 1.494(6) .
N14 Ag1 2.323(3) 2_564
N14 C13 1.478(5) .
N14 C17 1.485(5) .
C8 C10 1.491(7) .
C8 C9 1.374(5) .
C8 C7 1.427(7) .
C18 C17 1.532(7) .
C18 C23 1.413(5) .
C18 C19 1.367(7) .
C6 H6 0.9500 .
C6 C7 1.409(8) .
C6 C5 1.365(6) .
C22 C23 1.379(6) .
C22 C24 1.454(6) .
C22 C21 1.392(6) .
C20 H20 0.9500 .
C20 C19 1.388(7) .
C20 C21 1.374(6) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C16 H16A 0.9900 .
C16 H16B 0.9900 .
C4 C9 1.412(6) .
C4 C3 1.419(6) .
C4 C5 1.398(7) .
C10 H10A 0.9900 .
C10 H10B 0.9900 .
C9 H9 0.9500 .
C23 H23 0.9500 .
C7 H7 0.9500 .
C3 N2 1.160(5) .
C5 H5 0.9500 .
C19 H19 0.9500 .
C24 N25 1.131(5) .
S26 O27 1.448(3) .
S26 O29 1.440(3) .
S26 O28 1.431(3) .
S26 C30 1.806(5) .
N25 Ag1 2.421(4) 4_464
N2 Ag1 2.378(4) 3_545
F31 C30 1.355(6) .
F33 C30 1.320(6) .
C21 H21 0.9500 .
F32 C30 1.319(6) .
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_4
Ag1 N11 C16 C15 59.5(4) . .
Ag1 N11 C10 C8 176.8(3) . .
Ag1 N14 C13 C12 -59.5(4) 2_564 .
Ag1 N14 C17 C18 -175.8(3) 2_564 .
C12 N11 C16 C15 -57.9(4) . .
C12 N11 C10 C8 -65.4(5) . .
C15 N14 C13 C12 59.0(4) . .
C15 N14 C17 C18 64.6(4) . .
N11 C12 C13 N14 -59.5(5) . .
N14 Ag1 N11 C12 153.6(3) 2_565 .
N14 Ag1 N11 C16 35.3(4) 2_565 .
N14 Ag1 N11 C10 -86.2(3) 2_565 .
N14 C15 C16 N11 59.0(5) . .
C22 C24 N25 Ag1 -79(12) . 4_464
C13 C12 N11 Ag1 -59.0(4) . .
C13 C12 N11 C16 58.6(4) . .
C13 C12 N11 C10 -175.7(3) . .
C13 N14 C17 C18 -58.3(4) . .
C17 N14 C13 C12 -176.5(4) . .
C17 C18 C23 C22 -179.3(4) . .
C17 C18 C19 C20 178.9(5) . .
C16 C15 N14 Ag1 58.7(4) . 2_564
C16 C15 N14 C13 -58.8(4) . .
C16 C15 N14 C17 176.8(3) . .
C16 N11 C10 C8 58.3(4) . .
C4 C3 N2 Ag1 -38(37) . 3_545
C10 N11 C16 C15 176.9(4) . .
C10 C8 C9 C4 178.7(5) . .
C10 C8 C7 C6 -178.3(5) . .
C9 C8 C10 N11 -93.9(6) . .
C9 C8 C7 C6 -0.6(8) . .
C9 C4 C3 N2 -93(36) . .
C9 C4 C5 C6 0.1(8) . .
C23 C18 C17 N14 98.3(5) . .
C23 C18 C19 C20 -4.6(8) . .
C23 C22 C24 N25 -157(11) . .
C23 C22 C21 C20 -1.6(8) . .
C7 C8 C10 N11 83.7(6) . .
C7 C8 C9 C4 0.9(8) . .
C7 C6 C5 C4 0.2(9) . .
C3 C4 C9 C8 178.9(5) . .
C3 C4 C5 C6 -179.5(5) . .
C5 C6 C7 C8 0.0(9) . .
C5 C4 C9 C8 -0.7(8) . .
C5 C4 C3 N2 87(36) . .
C19 C18 C17 N14 -85.1(6) . .
C19 C18 C23 C22 3.9(8) . .
C19 C20 C21 C22 1.0(9) . .
C24 C22 C23 C18 178.9(5) . .
C24 C22 C21 C20 178.7(5) . .
N25 Ag1 N11 C12 -64.4(3) 4_565 .
N25 Ag1 N11 C16 177.3(3) 4_565 .
N25 Ag1 N11 C10 55.8(2) 4_565 .
N2 Ag1 N11 C12 19.2(4) 3_455 .
N2 Ag1 N11 C16 -99.0(3) 3_455 .
N2 Ag1 N11 C10 139.4(2) 3_455 .
O27 S26 C30 F31 -59.2(4) . .
O27 S26 C30 F33 -175.7(4) . .
O27 S26 C30 F32 59.0(4) . .
O29 S26 C30 F31 -176.7(3) . .
O29 S26 C30 F33 66.9(4) . .
O29 S26 C30 F32 -58.5(5) . .
O28 S26 C30 F31 60.6(4) . .
O28 S26 C30 F33 -55.8(4) . .
O28 S26 C30 F32 178.8(4) . .
C21 C22 C23 C18 -0.8(7) . .
C21 C22 C24 N25 23(12) . .
C21 C20 C19 C18 2.1(9) . .
