#------------------------------------------------------------------------------
#$Date: 2016-03-23 02:02:00 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179167 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/28/4312825.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_4312825
loop_
_publ_author_name
'Nate Schultheiss'
'Douglas R. Powell'
'Eric Bosch'
_publ_contact_author
; 
   Prof. Eric Bosch 
   Department of Chemistry 
   Southwest Missouri State University 
   901 South National Avenue 
   Springfield, MO  65804  USA 
;
_publ_contact_author_email       erb625f@smsu.edu
_publ_contact_author_fax         1(417)8365507
_publ_contact_author_phone       1(417)8364277
_publ_section_title
;
 Anion Control of the Self-Assembly of 2,3-Diarylpyrazines with Silver(I)
 Salts
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8886
_journal_page_last               8890
_journal_paper_doi               10.1021/ic034994g
_journal_volume                  42
_journal_year                    2003
_chemical_formula_moiety
'Ag 1+, (C20 H20 N2), (C F3 O3 S) 1-, (C3 H6 O)'
_chemical_formula_sum            'C24 H26 Ag F3 N2 O4 S'
_chemical_formula_weight         603.40
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.491(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   18.031(3)
_cell_length_b                   18.672(3)
_cell_length_c                   14.466(2)
_cell_measurement_reflns_used    9920
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.26
_cell_volume                     4870.2(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       '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  0.0220
_diffrn_reflns_av_sigmaI/netI    0.0208
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            16823
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.10
_diffrn_standards_decay_%        0.15
_diffrn_standards_number         263
_exptl_absorpt_coefficient_mu    0.970
_exptl_absorpt_correction_T_max  0.8371
_exptl_absorpt_correction_T_min  0.7401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sheldrick, 2000'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2448
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.901
_refine_diff_density_min         -0.555
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.103
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         4716
_refine_ls_number_restraints     574
_refine_ls_restrained_S_all      1.128
_refine_ls_R_factor_all          0.0460
_refine_ls_R_factor_gt           0.0423
_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 w=1/[σ²(Fo²)+(0.0830P)²+9.2000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1326
_reflns_number_gt                4163
_reflns_number_total             4716
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic034994gsi20030821_093238_3.cif
_cod_data_source_block           03112
_cod_database_code               4312825
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.144820(16) 0.484905(14) 0.008366(15) 0.03975(14) Uani 1 1 d . . .
N1 N 0.15351(17) 0.49871(16) 0.1619(2) 0.0350(6) Uani 1 1 d . B .
C2 C 0.19861(19) 0.45634(17) 0.2126(2) 0.0329(7) Uani 1 1 d . . .
C3 C 0.20038(19) 0.46158(18) 0.3096(2) 0.0330(7) Uani 1 1 d . B .
N4 N 0.15395(17) 0.50719(15) 0.35309(19) 0.0326(6) Uani 1 1 d . . .
C5 C 0.10852(19) 0.54762(17) 0.3017(2) 0.0351(7) Uani 1 1 d . B .
H5 H 0.0748 0.5790 0.3314 0.042 Uiso 1 1 calc R . .
C6 C 0.1094(2) 0.54495(18) 0.2065(2) 0.0370(7) Uani 1 1 d . . .
H6 H 0.0783 0.5763 0.1719 0.044 Uiso 1 1 calc R B .
C7 C 0.2437(2) 0.40431(19) 0.1599(2) 0.0415(8) Uani 1 1 d . B .
C8 C 0.2889(2) 0.4293(2) 0.0889(3) 0.0550(11) Uani 1 1 d . . .
H8 H 0.2917 0.4791 0.0759 0.066 Uiso 1 1 calc R B .
C9 C 0.3297(4) 0.3808(3) 0.0375(3) 0.085(2) Uani 1 1 d . B .
C10 C 0.3275(4) 0.3093(3) 0.0596(3) 0.108(3) Uani 1 1 d . . .
H10 H 0.3576 0.2767 0.0262 0.130 Uiso 1 1 calc R B .
C11 C 0.2826(4) 0.2834(3) 0.1291(3) 0.0825(19) Uani 1 1 d . B .
C12 C 0.2414(3) 0.3321(2) 0.1794(2) 0.0530(10) Uani 1 1 d . . .
H12 H 0.2110 0.3154 0.2282 0.064 Uiso 1 1 calc R B .
C13 C 0.3782(5) 0.4092(4) -0.0406(5) 0.134(4) Uani 1 1 d . . .
H13A H 0.4100 0.3706 -0.0634 0.160 Uiso 1 1 d R B .
H13B H 0.4091 0.4486 -0.0174 0.160 Uiso 1 1 d R . .
H13C H 0.3465 0.4267 -0.0912 0.160 Uiso 1 1 d R . .
C14 C 0.2803(6) 0.2044(3) 0.1516(4) 0.127(4) Uani 1 1 d . . .
H14A H 0.2983 0.1769 0.0985 0.152 Uiso 1 1 d R B .
H14B H 0.2292 0.1902 0.1651 0.152 Uiso 1 1 d R . .
H14C H 0.3120 0.1948 0.2055 0.152 Uiso 1 1 d R . .
C15 C 0.2531(2) 0.42103(19) 0.3693(2) 0.0409(8) Uani 1 1 d . . .
C16 C 0.3281(2) 0.4193(3) 0.3487(3) 0.0651(12) Uani 1 1 d . B .
H16 H 0.3456 0.4431 0.2952 0.078 Uiso 1 1 calc R . .
C17 C 0.3776(3) 0.3832(5) 0.4054(5) 0.106(3) Uani 1 1 d . . .
C18 C 0.3514(3) 0.3522(5) 0.4851(4) 0.105(3) Uani 1 1 d . B .
H18 H 0.3856 0.3291 0.5256 0.126 Uiso 1 1 calc R . .
C19 C 0.2779(3) 0.3534(3) 0.5083(3) 0.0703(14) Uani 1 1 d . . .
C20 C 0.2273(2) 0.3873(2) 0.4478(2) 0.0465(9) Uani 1 1 d . B .
H20 H 0.1758 0.3869 0.4609 0.056 Uiso 1 1 calc R . .
C21 C 0.4604(4) 0.3819(9) 0.3799(7) 0.212(7) Uani 1 1 d . B .
H21A H 0.4831 0.3378 0.4033 0.254 Uiso 1 1 d R . .
H21B H 0.4854 0.4234 0.4076 0.254 Uiso 1 1 d R . .
H21C H 0.4653 0.3838 0.3125 0.254 Uiso 1 1 d R . .
C22 C 0.2491(4) 0.3195(3) 0.5963(3) 0.090(2) Uani 1 1 d . B .
H22A H 0.2771 0.2757 0.6096 0.108 Uiso 1 1 d R . .
H22B H 0.1964 0.3077 0.5882 0.108 Uiso 1 1 d R . .
H22C H 0.2550 0.3532 0.6477 0.108 Uiso 1 1 d R . .
S1A S -0.0032(2) 0.3670(2) 0.0055(3) 0.0422(5) Uani 0.360(3) 1 d PDU A 1
O1A O -0.0264(5) 0.4394(3) 0.0233(7) 0.072(2) Uani 0.360(3) 1 d PDU . 1
O2A O 0.0734(3) 0.3611(6) -0.0207(7) 0.044(3) Uani 0.360(3) 1 d PDU A 1
O3A O -0.0533(5) 0.3268(5) -0.0524(5) 0.073(2) Uani 0.360(3) 1 d PDU A 1
C1A C -0.0069(4) 0.3245(4) 0.1164(5) 0.069(2) Uani 0.360(3) 1 d PDU A 1
F1A F -0.0745(5) 0.3292(7) 0.1540(8) 0.086(4) Uani 0.360(3) 1 d PDU A 1
F2A F 0.0112(6) 0.2549(4) 0.1096(8) 0.099(3) Uani 0.360(3) 1 d PDU A 1
F3A F 0.0405(5) 0.3539(7) 0.1779(5) 0.082(3) Uani 0.360(3) 1 d PDU A 1
S1A' S 0.00697(19) 0.38512(19) 0.0388(2) 0.0422(5) Uani 0.295(3) 1 d PDU B 2
O1A' O 0.0790(4) 0.3778(7) -0.0027(8) 0.039(2) Uani 0.295(3) 1 d PDU B 2
O2A' O -0.0563(5) 0.3815(7) -0.0231(7) 0.063(3) Uani 0.295(3) 1 d PDU B 2
O3A' O 0.0016(5) 0.4316(4) 0.1182(5) 0.059(3) Uani 0.295(3) 1 d PDU B 2
C1A' C -0.0013(5) 0.2994(4) 0.0934(5) 0.062(2) Uani 0.295(3) 1 d PDU B 2
F1A' F 0.0024(5) 0.2463(4) 0.0313(8) 0.067(2) Uani 0.295(3) 1 d PDU B 2
F2A' F -0.0654(7) 0.2913(6) 0.1385(10) 0.058(3) Uani 0.295(3) 1 d PDU B 2
F3A' F 0.0534(9) 0.2889(8) 0.1553(9) 0.090(4) Uani 0.295(3) 1 d PDU B 2
S1A" S 0.0117(2) 0.34312(19) 0.0041(3) 0.0422(5) Uani 0.345(3) 1 d PDU B 3
O1A" O 0.0889(4) 0.3622(6) -0.0050(9) 0.040(2) Uani 0.345(3) 1 d PDU B 3
O2A" O -0.0069(6) 0.2745(4) -0.0351(8) 0.089(3) Uani 0.345(3) 1 d PDU B 3
O3A" O -0.0384(6) 0.4004(5) -0.0204(8) 0.067(3) Uani 0.345(3) 1 d PDU B 3
C1A" C 0.0001(5) 0.3315(4) 0.1259(5) 0.071(2) Uani 0.345(3) 1 d PDU B 3
F1A" F 0.0165(6) 0.3931(6) 0.1689(7) 0.085(3) Uani 0.345(3) 1 d PDU B 3
F2A" F -0.0699(7) 0.3113(8) 0.1426(10) 0.083(4) Uani 0.345(3) 1 d PDU B 3
F3A" F 0.0467(8) 0.2795(7) 0.1539(8) 0.081(3) Uani 0.345(3) 1 d PDU B 3
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 N4 166.78(12) . 6_565 ?
N1 Ag1 O1A' 101.4(3) . . ?
N4 Ag1 O1A' 91.7(3) 6_565 . ?
N1 Ag1 O1A" 101.9(3) . . ?
N4 Ag1 O1A" 90.9(3) 6_565 . ?
O1A' Ag1 O1A" 7.0(3) . . ?
N1 Ag1 O1A 99.3(2) . 5_565 ?
N4 Ag1 O1A 81.7(2) 6_565 5_565 ?
O1A' Ag1 O1A 92.1(3) . 5_565 ?
O1A" Ag1 O1A 98.9(3) . 5_565 ?
C6 N1 C2 118.2(3) . . ?
C6 N1 Ag1 120.9(2) . . ?
C2 N1 Ag1 120.6(2) . . ?
N1 C2 C3 120.7(3) . . ?
N1 C2 C7 115.8(3) . . ?
C3 C2 C7 123.4(3) . . ?
N4 C3 C2 119.9(3) . . ?
N4 C3 C15 116.5(3) . . ?
C2 C3 C15 123.6(3) . . ?
C5 N4 C3 118.4(3) . . ?
C5 N4 Ag1 117.9(2) . 6_566 ?
C3 N4 Ag1 123.6(2) . 6_566 ?
N4 C5 C6 121.6(3) . . ?
N4 C5 H5 119.2 . . ?
C6 C5 H5 119.2 . . ?
N1 C6 C5 121.0(3) . . ?
N1 C6 H6 119.5 . . ?
C5 C6 H6 119.5 . . ?
C12 C7 C8 119.7(3) . . ?
C12 C7 C2 121.2(3) . . ?
C8 C7 C2 119.1(3) . . ?
C9 C8 C7 119.5(4) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C10 C9 C8 119.5(4) . . ?
C10 C9 C13 121.8(5) . . ?
C8 C9 C13 118.6(5) . . ?
C9 C10 C11 121.8(4) . . ?
C9 C10 H10 119.1 . . ?
C11 C10 H10 119.1 . . ?
C12 C11 C10 118.2(4) . . ?
C12 C11 C14 120.8(5) . . ?
C10 C11 C14 121.0(5) . . ?
C7 C12 C11 121.2(4) . . ?
C7 C12 H12 119.4 . . ?
C11 C12 H12 119.4 . . ?
C9 C13 H13A 109.5 . . ?
C9 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C9 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C11 C14 H14A 109.5 . . ?
C11 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C11 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C20 C15 C16 120.0(3) . . ?
C20 C15 C3 119.5(3) . . ?
C16 C15 C3 120.4(3) . . ?
C17 C16 C15 120.6(5) . . ?
C17 C16 H16 119.7 . . ?
C15 C16 H16 119.7 . . ?
C18 C17 C16 118.5(5) . . ?
C18 C17 C21 122.3(5) . . ?
C16 C17 C21 119.2(6) . . ?
C19 C18 C17 122.5(5) . . ?
C19 C18 H18 118.7 . . ?
C17 C18 H18 118.7 . . ?
C18 C19 C20 118.6(4) . . ?
C18 C19 C22 122.6(5) . . ?
C20 C19 C22 118.9(5) . . ?
C15 C20 C19 119.6(4) . . ?
C15 C20 H20 120.2 . . ?
C19 C20 H20 120.2 . . ?
C17 C21 H21A 109.5 . . ?
C17 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C17 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C19 C22 H22A 109.5 . . ?
C19 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C19 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O3A S1A O1A 114.3(5) . . ?
O3A S1A O2A 113.9(5) . . ?
O1A S1A O2A 113.5(5) . . ?
O3A S1A C1A 105.3(4) . . ?
O1A S1A C1A 104.1(4) . . ?
O2A S1A C1A 104.2(5) . . ?
S1A O1A Ag1 136.0(6) . 5_565 ?
F1A C1A F2A 108.4(6) . . ?
F1A C1A F3A 106.2(6) . . ?
F2A C1A F3A 106.8(6) . . ?
F1A C1A S1A 112.1(6) . . ?
F2A C1A S1A 110.6(5) . . ?
F3A C1A S1A 112.5(5) . . ?
O1A' S1A' O3A' 117.0(5) . . ?
O1A' S1A' O2A' 116.5(5) . . ?
O3A' S1A' O2A' 117.6(5) . . ?
O1A' S1A' C1A' 100.3(5) . . ?
O3A' S1A' C1A' 100.4(4) . . ?
O2A' S1A' C1A' 99.4(5) . . ?
S1A' O1A' Ag1 110.5(6) . . ?
F2A' C1A' F1A' 106.9(6) . . ?
F2A' C1A' F3A' 106.9(7) . . ?
F1A' C1A' F3A' 107.3(7) . . ?
F2A' C1A' S1A' 113.0(6) . . ?
F1A' C1A' S1A' 111.2(6) . . ?
F3A' C1A' S1A' 111.2(7) . . ?
O2A" S1A" O3A" 114.8(5) . . ?
O2A" S1A" O1A" 113.9(5) . . ?
O3A" S1A" O1A" 113.4(5) . . ?
O2A" S1A" C1A" 104.6(5) . . ?
O3A" S1A" C1A" 104.7(5) . . ?
O1A" S1A" C1A" 103.9(5) . . ?
S1A" O1A" Ag1 127.2(6) . . ?
F1A" C1A" F2A" 111.2(7) . . ?
F1A" C1A" F3A" 110.2(7) . . ?
F2A" C1A" F3A" 109.2(7) . . ?
F1A" C1A" S1A" 109.0(6) . . ?
F2A" C1A" S1A" 109.3(7) . . ?
F3A" C1A" S1A" 107.8(6) . . ?
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 2.240(3) . ?
Ag1 N4 2.259(3) 6_565 ?
Ag1 O1A' 2.330(11) . ?
Ag1 O1A" 2.510(10) . ?
Ag1 O1A 2.599(7) 5_565 ?
N1 C6 1.343(4) . ?
N1 C2 1.348(4) . ?
C2 C3 1.406(4) . ?
C2 C7 1.482(5) . ?
C3 N4 1.353(4) . ?
C3 C15 1.485(4) . ?
N4 C5 1.335(4) . ?
N4 Ag1 2.259(3) 6_566 ?
C5 C6 1.379(4) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.379(5) . ?
C7 C8 1.397(5) . ?
C8 C9 1.386(6) . ?
C8 H8 0.9500 . ?
C9 C10 1.373(9) . ?
C9 C13 1.529(8) . ?
C10 C11 1.384(8) . ?
C10 H10 0.9500 . ?
C11 C12 1.384(6) . ?
C11 C14 1.511(7) . ?
C12 H12 0.9500 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C20 1.382(5) . ?
C15 C16 1.388(6) . ?
C16 C17 1.382(7) . ?
C16 H16 0.9500 . ?
C17 C18 1.378(9) . ?
C17 C21 1.541(9) . ?
C18 C19 1.369(8) . ?
C18 H18 0.9500 . ?
C19 C20 1.409(6) . ?
C19 C22 1.518(7) . ?
C20 H20 0.9500 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
S1A O3A 1.437(4) . ?
S1A O1A 1.438(4) . ?
S1A O2A 1.441(4) . ?
S1A C1A 1.791(6) . ?
O1A Ag1 2.599(7) 5_565 ?
C1A F1A 1.342(5) . ?
C1A F2A 1.343(5) . ?
C1A F3A 1.345(5) . ?
S1A' O1A' 1.442(4) . ?
S1A' O3A' 1.444(4) . ?
S1A' O2A' 1.445(4) . ?
S1A' C1A' 1.791(7) . ?
C1A' F2A' 1.340(5) . ?
C1A' F1A' 1.341(5) . ?
C1A' F3A' 1.342(5) . ?
S1A" O2A" 1.440(4) . ?
S1A" O3A" 1.443(4) . ?
S1A" O1A" 1.444(4) . ?
S1A" C1A" 1.789(6) . ?
C1A" F1A" 1.339(5) . ?
C1A" F2A" 1.341(5) . ?
C1A" F3A" 1.345(5) . ?
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
N4 Ag1 N1 C6 85.4(5) 6_565 . . . ?
O1A' Ag1 N1 C6 -102.3(4) . . . . ?
O1A" Ag1 N1 C6 -109.4(3) . . . . ?
O1A Ag1 N1 C6 -8.2(3) 5_565 . . . ?
N4 Ag1 N1 C2 -100.4(5) 6_565 . . . ?
O1A' Ag1 N1 C2 71.9(4) . . . . ?
O1A" Ag1 N1 C2 64.8(3) . . . . ?
O1A Ag1 N1 C2 166.0(3) 5_565 . . . ?
C6 N1 C2 C3 -1.3(5) . . . . ?
Ag1 N1 C2 C3 -175.6(2) . . . . ?
C6 N1 C2 C7 177.5(3) . . . . ?
Ag1 N1 C2 C7 3.2(4) . . . . ?
N1 C2 C3 N4 3.1(5) . . . . ?
C7 C2 C3 N4 -175.6(3) . . . . ?
N1 C2 C3 C15 -174.7(3) . . . . ?
C7 C2 C3 C15 6.6(6) . . . . ?
C2 C3 N4 C5 -1.6(5) . . . . ?
C15 C3 N4 C5 176.3(3) . . . . ?
C2 C3 N4 Ag1 175.3(2) . . . 6_566 ?
C15 C3 N4 Ag1 -6.8(4) . . . 6_566 ?
C3 N4 C5 C6 -1.6(5) . . . . ?
Ag1 N4 C5 C6 -178.6(3) 6_566 . . . ?
C2 N1 C6 C5 -1.9(5) . . . . ?
Ag1 N1 C6 C5 172.4(3) . . . . ?
N4 C5 C6 N1 3.4(6) . . . . ?
N1 C2 C7 C12 -124.9(4) . . . . ?
C3 C2 C7 C12 53.8(5) . . . . ?
N1 C2 C7 C8 54.7(5) . . . . ?
C3 C2 C7 C8 -126.6(4) . . . . ?
C12 C7 C8 C9 1.4(7) . . . . ?
C2 C7 C8 C9 -178.2(5) . . . . ?
C7 C8 C9 C10 -2.7(9) . . . . ?
C7 C8 C9 C13 179.4(6) . . . . ?
C8 C9 C10 C11 3.3(12) . . . . ?
C13 C9 C10 C11 -178.8(8) . . . . ?
C9 C10 C11 C12 -2.5(11) . . . . ?
C9 C10 C11 C14 179.3(8) . . . . ?
C8 C7 C12 C11 -0.6(7) . . . . ?
C2 C7 C12 C11 178.9(4) . . . . ?
C10 C11 C12 C7 1.2(9) . . . . ?
C14 C11 C12 C7 179.4(6) . . . . ?
N4 C3 C15 C20 47.4(5) . . . . ?
C2 C3 C15 C20 -134.7(4) . . . . ?
N4 C3 C15 C16 -130.1(4) . . . . ?
C2 C3 C15 C16 47.8(5) . . . . ?
C20 C15 C16 C17 0.9(8) . . . . ?
C3 C15 C16 C17 178.3(6) . . . . ?
C15 C16 C17 C18 -3.3(12) . . . . ?
C15 C16 C17 C21 179.5(9) . . . . ?
C16 C17 C18 C19 2.7(14) . . . . ?
C21 C17 C18 C19 179.8(10) . . . . ?
C17 C18 C19 C20 0.4(12) . . . . ?
C17 C18 C19 C22 -179.8(8) . . . . ?
C16 C15 C20 C19 2.3(6) . . . . ?
C3 C15 C20 C19 -175.2(4) . . . . ?
C18 C19 C20 C15 -2.8(8) . . . . ?
C22 C19 C20 C15 177.3(5) . . . . ?
O3A S1A O1A Ag1 8.2(11) . . . 5_565 ?
O2A S1A O1A Ag1 141.3(7) . . . 5_565 ?
C1A S1A O1A Ag1 -106.1(8) . . . 5_565 ?
O3A S1A C1A F1A -63.7(7) . . . . ?
O1A S1A C1A F1A 56.9(7) . . . . ?
O2A S1A C1A F1A 176.1(7) . . . . ?
O3A S1A C1A F2A 57.4(7) . . . . ?
O1A S1A C1A F2A 178.0(6) . . . . ?
O2A S1A C1A F2A -62.8(7) . . . . ?
O3A S1A C1A F3A 176.7(7) . . . . ?
O1A S1A C1A F3A -62.7(7) . . . . ?
O2A S1A C1A F3A 56.5(7) . . . . ?
O3A' S1A' O1A' Ag1 -33.9(10) . . . . ?
O2A' S1A' O1A' Ag1 112.8(7) . . . . ?
C1A' S1A' O1A' Ag1 -141.2(6) . . . . ?
N1 Ag1 O1A' S1A' 61.5(7) . . . . ?
N4 Ag1 O1A' S1A' -120.2(7) 6_565 . . . ?
O1A" Ag1 O1A' S1A' 156(5) . . . . ?
O1A Ag1 O1A' S1A' -38.4(8) 5_565 . . . ?
O1A' S1A' C1A' F2A' -179.9(8) . . . . ?
O3A' S1A' C1A' F2A' 60.0(7) . . . . ?
O2A' S1A' C1A' F2A' -60.5(8) . . . . ?
O1A' S1A' C1A' F1A' -59.6(7) . . . . ?
O3A' S1A' C1A' F1A' -179.8(6) . . . . ?
O2A' S1A' C1A' F1A' 59.7(7) . . . . ?
O1A' S1A' C1A' F3A' 59.9(8) . . . . ?
O3A' S1A' C1A' F3A' -60.3(7) . . . . ?
O2A' S1A' C1A' F3A' 179.2(8) . . . . ?
O2A" S1A" O1A" Ag1 161.3(7) . . . . ?
O3A" S1A" O1A" Ag1 27.6(13) . . . . ?
C1A" S1A" O1A" Ag1 -85.5(8) . . . . ?
N1 Ag1 O1A" S1A" 80.6(9) . . . . ?
N4 Ag1 O1A" S1A" -102.7(9) 6_565 . . . ?
O1A' Ag1 O1A" S1A" -6(4) . . . . ?
O1A Ag1 O1A" S1A" -21.0(10) 5_565 . . . ?
O2A" S1A" C1A" F1A" 179.8(7) . . . . ?
O3A" S1A" C1A" F1A" -59.1(8) . . . . ?
O1A" S1A" C1A" F1A" 60.1(7) . . . . ?
O2A" S1A" C1A" F2A" -58.4(8) . . . . ?
O3A" S1A" C1A" F2A" 62.7(8) . . . . ?
O1A" S1A" C1A" F2A" -178.1(8) . . . . ?
O2A" S1A" C1A" F3A" 60.2(7) . . . . ?
O3A" S1A" C1A" F3A" -178.7(8) . . . . ?
O1A" S1A" C1A" F3A" -59.5(8) . . . . ?
