#------------------------------------------------------------------------------
#$Date: 2025-08-19 13:52:15 +0200 (Tue 19 de Aug de 2025) $
#$Revision: 301804 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/40/2214080.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_2214080
loop_
_publ_author_name
'Wang, Ying-Li'
'Yang, Guang'
'Ng, Seik Weng'
_publ_section_title
;Bis(acetonitrile-κN)hexakis(μ₂-4-amino-3,5-dimethyl-1,2,4-triazole-κ²N¹:N²)tetrasilver(I)
 tetrakis(trifluoromethanesulfonate) acetonitrile disolvate
;
_journal_coeditor_code           BT2378
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1801
_journal_page_last               m1801
_journal_paper_doi               10.1107/S1600536807026360
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac
'[Ag4 (C4 H8 N4)6 (C2 H3 N)2] (C F3 O3 S)4 , 2C2 H3 N'
_chemical_formula_moiety         'C28 H54 Ag4 N26 4+ , 4C F3 S O3 - , 2C2 H3 N'
_chemical_formula_sum            'C36 H60 Ag4 F12 N28 O12 S4'
_chemical_formula_weight         1864.84
_chemical_name_systematic
;
Bis(acetonitrile-κN)hexakis(μ₂-4-amino-3,5-dimethyl-1,2,4-\
triazole-κ²N¹:N²)tetrasilver(I)
tetrakis(trifluoromethanesulfonate) acetonitrile disolvate
;
_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           SHELXL97
_cell_angle_alpha                108.59(2)
_cell_angle_beta                 92.84(2)
_cell_angle_gamma                108.68(2)
_cell_formula_units_Z            1
_cell_length_a                   12.110(3)
_cell_length_b                   12.695(3)
_cell_length_c                   13.001(3)
_cell_measurement_reflns_used    12901
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     1768.9(8)
_computing_cell_refinement       RAPID-AUTO
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  'publCIF (Westrip, 2007)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID IP'
_diffrn_measurement_method       ω
_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  0.046
_diffrn_reflns_av_sigmaI/netI    0.062
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17453
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_reflns_theta_min         3.2
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.310
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.294
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.751
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             928
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.27
_refine_diff_density_min         -1.07
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     440
_refine_ls_number_reflns         8026
_refine_ls_number_restraints     150
_refine_ls_restrained_S_all      1.10
_refine_ls_R_factor_all          0.097
_refine_ls_R_factor_gt           0.074
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.1356P)²+1.8203P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.217
_refine_ls_wR_factor_ref         0.239
_reflns_number_gt                5532
_reflns_number_total             8026
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            bt2378.cif
_cod_data_source_block           I
_cod_original_cell_volume        1768.9(7)
_cod_database_code               2214080
_cod_database_fobs_code          2214080
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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
Ag Ag1 0.88000(5) 0.37448(5) 0.53930(4) 0.0621(2) Uani d . 1
Ag Ag2 0.88609(5) 0.34115(5) 0.27393(5) 0.0638(2) Uani d . 1
S S1 0.7324(2) -0.2778(2) 0.18838(19) 0.0805(6) Uani d D 1
S S2 0.35409(18) 0.13112(19) 0.22789(16) 0.0712(5) Uani d D 1
F F1 0.9445(7) -0.1622(9) 0.2985(8) 0.170(4) Uani d DU 1
F F2 0.8266(7) -0.0761(8) 0.3487(7) 0.160(3) Uani d DU 1
F F3 0.8888(11) -0.0812(11) 0.2008(9) 0.217(5) Uani d DU 1
F F4 0.1809(7) -0.0452(7) 0.2334(7) 0.158(3) Uani d DU 1
F F5 0.1678(7) -0.0141(7) 0.0858(6) 0.160(3) Uani d DU 1
F F6 0.2856(7) -0.0934(6) 0.1161(7) 0.149(3) Uani d DU 1
O O1 0.6474(7) -0.2360(8) 0.1530(7) 0.132(3) Uani d DU 1
O O2 0.7789(8) -0.3403(8) 0.0991(6) 0.131(3) Uani d DU 1
O O3 0.7050(9) -0.3320(9) 0.2672(7) 0.159(4) Uani d DU 1
O O4 0.4239(6) 0.1125(7) 0.3072(6) 0.110(2) Uani d DU 1
O O5 0.4112(6) 0.1538(7) 0.1402(5) 0.111(2) Uani d DU 1
O O6 0.2899(6) 0.2062(6) 0.2726(5) 0.0957(19) Uani d DU 1
N N1 0.7678(5) 0.1969(5) 0.4177(4) 0.0578(13) Uani d . 1
N N2 0.7624(5) 0.1844(5) 0.3087(5) 0.0579(13) Uani d . 1
N N3 0.6319(5) 0.0297(5) 0.3212(5) 0.0582(13) Uani d . 1
N N4 0.5376(6) -0.0794(6) 0.2984(6) 0.0746(18) Uani d . 1
H H41 0.5009 -0.1217 0.2303 0.090 Uiso calc R 1
H H42 0.5155 -0.1049 0.3523 0.090 Uiso calc R 1
N N5 0.8361(5) 0.5079(5) 0.6744(4) 0.0562(13) Uani d . 1
N N6 0.7571(5) 0.5996(5) 0.8023(5) 0.0561(13) Uani d . 1
N N7 0.9223(5) 0.6100(5) 0.7420(5) 0.0561(13) Uani d . 1
N N8 0.6722(5) 0.6246(6) 0.8662(6) 0.0739(18) Uani d . 1
H H81 0.5984 0.5749 0.8477 0.089 Uiso calc R 1
H H82 0.6928 0.6899 0.9246 0.089 Uiso calc R 1
N N9 0.8379(5) 0.4932(5) 0.4025(5) 0.0561(13) Uani d . 1
N N10 0.9244(4) 0.6030(5) 0.4585(5) 0.0541(13) Uani d . 1
N N11 0.7536(4) 0.6201(5) 0.4680(4) 0.0517(12) Uani d . 1
N N12 0.6623(5) 0.6652(6) 0.4855(5) 0.0665(16) Uani d . 1
H H121 0.5886 0.6184 0.4565 0.080 Uiso calc R 1
H H112 0.6784 0.7404 0.5254 0.080 Uiso calc R 1
N N13 0.7755(9) 0.3396(10) 0.1152(8) 0.114(3) Uani d . 1
N N14 0.250(3) -0.308(3) 0.189(2) 0.264(11) Uani d U 1
C C1 0.6685(9) 0.0784(10) 0.5277(8) 0.097(3) Uani d . 1
H H1A 0.7029 0.0213 0.5322 0.145 Uiso calc R 1
H H1B 0.5851 0.0474 0.5278 0.145 Uiso calc R 1
H H1C 0.7045 0.1508 0.5897 0.145 Uiso calc R 1
C C2 0.6887(6) 0.1028(7) 0.4236(6) 0.0623(17) Uani d . 1
C C3 0.6779(6) 0.0828(6) 0.2511(6) 0.0569(15) Uani d . 1
C C4 0.6397(8) 0.0329(8) 0.1312(6) 0.075(2) Uani d . 1
H H4A 0.6872 0.0858 0.0985 0.113 Uiso calc R 1
H H4B 0.5582 0.0233 0.1144 0.113 Uiso calc R 1
H H4C 0.6487 -0.0429 0.1022 0.113 Uiso calc R 1
C C5 0.6178(7) 0.4084(9) 0.6657(9) 0.084(3) Uani d . 1
H H5A 0.6170 0.3615 0.5911 0.126 Uiso calc R 1
H H5B 0.5589 0.4444 0.6671 0.126 Uiso calc R 1
H H5C 0.6010 0.3585 0.7092 0.126 Uiso calc R 1
C C6 0.7363(6) 0.5028(7) 0.7115(6) 0.0579(16) Uani d . 1
C C7 0.8760(6) 0.6652(7) 0.8194(6) 0.0579(16) Uani d . 1
C C8 0.9362(8) 0.7778(9) 0.9108(8) 0.091(3) Uani d . 1
H H8A 1.0201 0.8008 0.9125 0.136 Uiso calc R 1
H H8B 0.9178 0.7680 0.9789 0.136 Uiso calc R 1
H H8C 0.9100 0.8382 0.9008 0.136 Uiso calc R 1
C C9 0.9304(7) 0.8075(7) 0.5646(8) 0.077(2) Uani d . 1
H H9A 0.9333 0.8188 0.6415 0.116 Uiso calc R 1
H H9B 0.8855 0.8506 0.5454 0.116 Uiso calc R 1
H H9C 1.0093 0.8363 0.5499 0.116 Uiso calc R 1
C C10 0.8730(5) 0.6783(6) 0.4979(5) 0.0538(15) Uani d . 1
C C11 0.7364(6) 0.5056(6) 0.4077(5) 0.0559(15) Uani d . 1
C C12 0.6179(6) 0.4146(7) 0.3571(7) 0.069(2) Uani d . 1
H H12C 0.6038 0.4019 0.2800 0.104 Uiso calc R 1
H H12D 0.5589 0.4413 0.3922 0.104 Uiso calc R 1
H H12E 0.6141 0.3414 0.3662 0.104 Uiso calc R 1
C C13 0.6966(9) 0.3471(10) 0.0752(8) 0.089(3) Uani d . 1
C C14 0.5926(9) 0.3532(13) 0.0198(10) 0.115(4) Uani d . 1
H H14A 0.5555 0.2814 -0.0426 0.172 Uiso calc R 1
H H14B 0.6158 0.4199 -0.0045 0.172 Uiso calc R 1
H H14C 0.5379 0.3625 0.0699 0.172 Uiso calc R 1
C C15 0.8526(9) -0.1444(10) 0.2621(8) 0.116(4) Uani d D 1
C C16 0.2423(8) -0.0117(9) 0.1627(7) 0.104(3) Uani d D 1
C C17 0.148(2) -0.3490(19) 0.1723(19) 0.167(7) Uani d U 1
C C18 0.021(3) -0.403(3) 0.146(3) 0.265(13) Uani d U 1
H H18A -0.0037 -0.4790 0.1551 0.398 Uiso calc R 1
H H18B -0.0053 -0.4133 0.0717 0.398 Uiso calc R 1
H H18C -0.0137 -0.3526 0.1952 0.398 Uiso calc R 1
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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
N1 Ag1 N5 . . 131.8(2) yes
N1 Ag1 N10 . 2_766 109.7(2) yes
N5 Ag1 N10 . 2_766 117.2(2) yes
N1 Ag1 Ag2 . . 64.14(15) ?
N5 Ag1 Ag2 . . 131.10(16) ?
N10 Ag1 Ag2 2_766 . 82.56(14) ?
N2 Ag2 N9 . . 97.9(2) yes
N2 Ag2 N7 . 2_766 130.8(2) yes
N2 Ag2 N13 . . 102.6(3) yes
N7 Ag2 N9 2_766 . 114.7(2) yes
N7 Ag2 N13 2_766 . 109.4(3) yes
N9 Ag2 N13 . . 95.6(3) yes
N7 Ag2 Ag1 2_766 . 105.28(15) ?
N2 Ag2 Ag1 . . 63.63(14) ?
N9 Ag2 Ag1 . . 55.38(15) ?
N13 Ag2 Ag1 . . 142.1(3) ?
O3 S1 O1 . . 116.7(5) ?
O3 S1 O2 . . 114.5(5) ?
O1 S1 O2 . . 112.9(4) ?
O3 S1 C15 . . 103.2(6) ?
O1 S1 C15 . . 102.8(5) ?
O2 S1 C15 . . 104.7(5) ?
O6 S2 O4 . . 115.0(4) ?
O6 S2 O5 . . 114.5(4) ?
O4 S2 O5 . . 114.9(4) ?
O6 S2 C16 . . 103.9(4) ?
O4 S2 C16 . . 102.9(4) ?
O5 S2 C16 . . 103.6(4) ?
C2 N1 N2 . . 107.5(5) ?
C2 N1 Ag1 . . 134.9(5) ?
N2 N1 Ag1 . . 116.6(4) ?
C3 N2 N1 . . 108.0(6) ?
C3 N2 Ag2 . . 136.6(5) ?
N1 N2 Ag2 . . 115.2(4) ?
C3 N3 C2 . . 107.4(6) ?
C3 N3 N4 . . 128.8(6) ?
C2 N3 N4 . . 123.8(6) ?
N3 N4 H41 . . 120.0 ?
N3 N4 H42 . . 120.0 ?
H41 N4 H42 . . 120.0 ?
C6 N5 N7 . . 107.9(5) ?
C6 N5 Ag1 . . 130.7(5) ?
N7 N5 Ag1 . . 121.0(4) ?
C6 N6 C7 . . 106.5(5) ?
C6 N6 N8 . . 125.4(6) ?
C7 N6 N8 . . 128.1(6) ?
C7 N7 N5 . . 108.8(5) ?
C7 N7 Ag2 . 2_766 127.3(5) ?
N5 N7 Ag2 . 2_766 123.7(4) ?
N6 N8 H81 . . 120.0 ?
N6 N8 H82 . . 120.0 ?
H81 N8 H82 . . 120.0 ?
C11 N9 N10 . . 107.9(6) ?
C11 N9 Ag2 . . 128.4(4) ?
N10 N9 Ag2 . . 120.3(4) ?
C10 N10 N9 . . 108.2(5) ?
C10 N10 Ag1 . 2_766 131.8(4) ?
N9 N10 Ag1 . 2_766 119.9(4) ?
C11 N11 C10 . . 106.7(5) ?
C11 N11 N12 . . 123.7(5) ?
C10 N11 N12 . . 129.4(6) ?
N11 N12 H121 . . 120.0 ?
N11 N12 H112 . . 120.0 ?
H121 N12 H112 . . 120.0 ?
C13 N13 Ag2 . . 150.4(10) ?
C2 C1 H1A . . 109.5 ?
C2 C1 H1B . . 109.5 ?
H1A C1 H1B . . 109.5 ?
C2 C1 H1C . . 109.5 ?
H1A C1 H1C . . 109.5 ?
H1B C1 H1C . . 109.5 ?
N1 C2 N3 . . 109.1(6) ?
N1 C2 C1 . . 124.8(7) ?
N3 C2 C1 . . 126.1(7) ?
N2 C3 N3 . . 108.0(6) ?
N2 C3 C4 . . 127.2(7) ?
N3 C3 C4 . . 124.8(6) ?
C3 C4 H4A . . 109.5 ?
C3 C4 H4B . . 109.5 ?
H4A C4 H4B . . 109.5 ?
C3 C4 H4C . . 109.5 ?
H4A C4 H4C . . 109.5 ?
H4B C4 H4C . . 109.5 ?
C6 C5 H5A . . 109.5 ?
C6 C5 H5B . . 109.5 ?
H5A C5 H5B . . 109.5 ?
C6 C5 H5C . . 109.5 ?
H5A C5 H5C . . 109.5 ?
H5B C5 H5C . . 109.5 ?
N5 C6 N6 . . 108.7(6) ?
N5 C6 C5 . . 128.0(7) ?
N6 C6 C5 . . 123.3(7) ?
N7 C7 N6 . . 108.2(6) ?
N7 C7 C8 . . 127.5(7) ?
N6 C7 C8 . . 124.3(6) ?
C7 C8 H8A . . 109.5 ?
C7 C8 H8B . . 109.5 ?
H8A C8 H8B . . 109.5 ?
C7 C8 H8C . . 109.5 ?
H8A C8 H8C . . 109.5 ?
H8B C8 H8C . . 109.5 ?
C10 C9 H9A . . 109.5 ?
C10 C9 H9B . . 109.5 ?
H9A C9 H9B . . 109.5 ?
C10 C9 H9C . . 109.5 ?
H9A C9 H9C . . 109.5 ?
H9B C9 H9C . . 109.5 ?
N10 C10 N11 . . 108.3(6) ?
N10 C10 C9 . . 127.4(6) ?
N11 C10 C9 . . 124.2(6) ?
N9 C11 N11 . . 108.8(6) ?
N9 C11 C12 . . 128.1(7) ?
N11 C11 C12 . . 123.0(6) ?
C11 C12 H12C . . 109.5 ?
C11 C12 H12D . . 109.5 ?
H12C C12 H12D . . 109.5 ?
C11 C12 H12E . . 109.5 ?
H12C C12 H12E . . 109.5 ?
H12D C12 H12E . . 109.5 ?
N13 C13 C14 . . 178.1(13) ?
C13 C14 H14A . . 109.5 ?
C13 C14 H14B . . 109.5 ?
H14A C14 H14B . . 109.5 ?
C13 C14 H14C . . 109.5 ?
H14A C14 H14C . . 109.5 ?
H14B C14 H14C . . 109.5 ?
F3 C15 F1 . . 106.1(8) ?
F3 C15 F2 . . 106.6(8) ?
F1 C15 F2 . . 105.3(7) ?
F3 C15 S1 . . 111.5(8) ?
F1 C15 S1 . . 113.4(8) ?
F2 C15 S1 . . 113.3(8) ?
F5 C16 F4 . . 106.8(7) ?
F5 C16 F6 . . 106.1(7) ?
F4 C16 F6 . . 107.4(7) ?
F5 C16 S2 . . 112.8(7) ?
F4 C16 S2 . . 111.0(7) ?
F6 C16 S2 . . 112.5(7) ?
N14 C17 C18 . . 178(3) ?
C17 C18 H18A . . 109.5 ?
C17 C18 H18B . . 109.5 ?
H18A C18 H18B . . 109.5 ?
C17 C18 H18C . . 109.5 ?
H18A C18 H18C . . 109.5 ?
H18B C18 H18C . . 109.5 ?
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
Ag1 N1 . 2.232(5) yes
Ag1 N5 . 2.238(5) yes
Ag1 N10 2_766 2.290(5) yes
Ag1 Ag2 . 3.3469(11) ?
Ag2 N2 . 2.267(6) yes
Ag2 N7 2_766 2.241(5) yes
Ag2 N9 . 2.371(6) yes
Ag2 N13 . 2.395(9) yes
S1 O3 . 1.404(6) ?
S1 O1 . 1.419(6) ?
S1 O2 . 1.434(6) ?
S1 C15 . 1.776(12) ?
S2 O6 . 1.420(5) ?
S2 O4 . 1.425(5) ?
S2 O5 . 1.422(5) ?
S2 C16 . 1.781(11) ?
F1 C15 . 1.301(7) ?
F2 C15 . 1.306(8) ?
F3 C15 . 1.299(8) ?
F4 C16 . 1.301(7) ?
F5 C16 . 1.298(7) ?
F6 C16 . 1.302(7) ?
N1 C2 . 1.298(9) ?
N1 N2 . 1.370(8) ?
N2 C3 . 1.318(8) ?
N3 C3 . 1.341(9) ?
N3 C2 . 1.349(9) ?
N3 N4 . 1.415(8) ?
N4 H41 . 0.8800 ?
N4 H42 . 0.8800 ?
N5 C6 . 1.313(9) ?
N5 N7 . 1.363(8) ?
N6 C6 . 1.347(9) ?
N6 C7 . 1.379(9) ?
N6 N8 . 1.404(8) ?
N7 C7 . 1.294(9) ?
N7 Ag2 2_766 2.241(5) ?
N8 H81 . 0.8800 ?
N8 H82 . 0.8800 ?
N9 C11 . 1.291(9) ?
N9 N10 . 1.383(7) ?
N10 C10 . 1.291(9) ?
N10 Ag1 2_766 2.290(5) ?
N11 C11 . 1.354(9) ?
N11 C10 . 1.366(8) ?
N11 N12 . 1.396(7) ?
N12 H121 . 0.8800 ?
N12 H112 . 0.8800 ?
N13 C13 . 1.110(13) ?
N14 C17 . 1.15(3) ?
C1 C2 . 1.496(11) ?
C1 H1A . 0.9600 ?
C1 H1B . 0.9600 ?
C1 H1C . 0.9600 ?
C3 C4 . 1.469(9) ?
C4 H4A . 0.9600 ?
C4 H4B . 0.9600 ?
C4 H4C . 0.9600 ?
C5 C6 . 1.486(10) ?
C5 H5A . 0.9600 ?
C5 H5B . 0.9600 ?
C5 H5C . 0.9600 ?
C7 C8 . 1.466(11) ?
C8 H8A . 0.9600 ?
C8 H8B . 0.9600 ?
C8 H8C . 0.9600 ?
C9 C10 . 1.493(10) ?
C9 H9A . 0.9600 ?
C9 H9B . 0.9600 ?
C9 H9C . 0.9600 ?
C11 C12 . 1.479(9) ?
C12 H12C . 0.9600 ?
C12 H12D . 0.9600 ?
C12 H12E . 0.9600 ?
C13 C14 . 1.456(14) ?
C14 H14A . 0.9600 ?
C14 H14B . 0.9600 ?
C14 H14C . 0.9600 ?
C17 C18 . 1.44(3) ?
C18 H18A . 0.9600 ?
C18 H18B . 0.9600 ?
C18 H18C . 0.9600 ?
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
N1 Ag1 Ag2 N7 . 2_766 -125.5(2)
N5 Ag1 Ag2 N7 . 2_766 110.5(2)
N10 Ag1 Ag2 N7 2_766 2_766 -9.4(2)
N1 Ag1 Ag2 N2 . . 2.8(2)
N5 Ag1 Ag2 N2 . . -121.2(3)
N10 Ag1 Ag2 N2 2_766 . 119.0(2)
N1 Ag1 Ag2 N9 . . 124.7(2)
N5 Ag1 Ag2 N9 . . 0.7(2)
N10 Ag1 Ag2 N9 2_766 . -119.1(2)
N1 Ag1 Ag2 N13 . . 78.8(5)
N5 Ag1 Ag2 N13 . . -45.2(5)
N10 Ag1 Ag2 N13 2_766 . -165.0(4)
N5 Ag1 N1 C2 . . -48.6(8)
N10 Ag1 N1 C2 2_766 . 117.3(7)
Ag2 Ag1 N1 C2 . . -171.7(8)
N5 Ag1 N1 N2 . . 118.5(5)
N10 Ag1 N1 N2 2_766 . -75.6(5)
Ag2 Ag1 N1 N2 . . -4.6(4)
C2 N1 N2 C3 . . 1.0(8)
Ag1 N1 N2 C3 . . -169.4(5)
C2 N1 N2 Ag2 . . 177.3(5)
Ag1 N1 N2 Ag2 . . 6.8(6)
N7 Ag2 N2 C3 2_766 . -101.9(7)
N9 Ag2 N2 C3 . . 125.4(7)
N13 Ag2 N2 C3 . . 27.9(8)
Ag1 Ag2 N2 C3 . . 170.3(8)
N7 Ag2 N2 N1 2_766 . 83.2(5)
N9 Ag2 N2 N1 . . -49.4(5)
N13 Ag2 N2 N1 . . -146.9(5)
Ag1 Ag2 N2 N1 . . -4.5(4)
N1 Ag1 N5 C6 . . 4.8(8)
N10 Ag1 N5 C6 2_766 . -160.3(6)
Ag2 Ag1 N5 C6 . . 94.9(6)
N1 Ag1 N5 N7 . . 177.3(4)
N10 Ag1 N5 N7 2_766 . 12.2(6)
Ag2 Ag1 N5 N7 . . -92.6(5)
C6 N5 N7 C7 . . 0.6(8)
Ag1 N5 N7 C7 . . -173.4(5)
C6 N5 N7 Ag2 . 2_766 175.2(5)
Ag1 N5 N7 Ag2 . 2_766 1.2(7)
N7 Ag2 N9 C11 2_766 . 158.4(6)
N2 Ag2 N9 C11 . . -59.5(6)
N13 Ag2 N9 C11 . . 44.1(7)
Ag1 Ag2 N9 C11 . . -109.6(6)
N7 Ag2 N9 N10 2_766 . 1.8(6)
N2 Ag2 N9 N10 . . 144.0(5)
N13 Ag2 N9 N10 . . -112.5(5)
Ag1 Ag2 N9 N10 . . 93.8(5)
C11 N9 N10 C10 . . 1.2(8)
Ag2 N9 N10 C10 . . 162.1(5)
C11 N9 N10 Ag1 . 2_766 -175.9(4)
Ag2 N9 N10 Ag1 . 2_766 -15.0(6)
N7 Ag2 N13 C13 2_766 . -156(2)
N2 Ag2 N13 C13 . . 62(2)
N9 Ag2 N13 C13 . . -37(2)
Ag1 Ag2 N13 C13 . . 0(2)
N2 N1 C2 N3 . . -0.2(8)
Ag1 N1 C2 N3 . . 167.7(5)
N2 N1 C2 C1 . . 177.5(8)
Ag1 N1 C2 C1 . . -14.6(13)
C3 N3 C2 N1 . . -0.7(8)
N4 N3 C2 N1 . . -177.8(7)
C3 N3 C2 C1 . . -178.3(9)
N4 N3 C2 C1 . . 4.5(13)
N1 N2 C3 N3 . . -1.5(8)
Ag2 N2 C3 N3 . . -176.5(5)
N1 N2 C3 C4 . . 179.3(8)
Ag2 N2 C3 C4 . . 4.3(13)
C2 N3 C3 N2 . . 1.4(8)
N4 N3 C3 N2 . . 178.3(7)
C2 N3 C3 C4 . . -179.4(8)
N4 N3 C3 C4 . . -2.5(13)
N7 N5 C6 N6 . . -0.4(8)
Ag1 N5 C6 N6 . . 172.8(5)
N7 N5 C6 C5 . . -179.8(8)
Ag1 N5 C6 C5 . . -6.6(12)
C7 N6 C6 N5 . . 0.1(8)
N8 N6 C6 N5 . . -179.0(6)
C7 N6 C6 C5 . . 179.5(8)
N8 N6 C6 C5 . . 0.5(12)
N5 N7 C7 N6 . . -0.6(8)
Ag2 N7 C7 N6 2_766 . -174.9(4)
N5 N7 C7 C8 . . 179.2(9)
Ag2 N7 C7 C8 2_766 . 4.9(12)
C6 N6 C7 N7 . . 0.3(8)
N8 N6 C7 N7 . . 179.3(7)
C6 N6 C7 C8 . . -179.5(9)
N8 N6 C7 C8 . . -0.5(12)
N9 N10 C10 N11 . . -0.5(7)
Ag1 N10 C10 N11 2_766 . 176.2(4)
N9 N10 C10 C9 . . 179.7(8)
Ag1 N10 C10 C9 2_766 . -3.5(12)
C11 N11 C10 N10 . . -0.4(7)
N12 N11 C10 N10 . . -175.7(6)
C11 N11 C10 C9 . . 179.4(8)
N12 N11 C10 C9 . . 4.1(11)
N10 N9 C11 N11 . . -1.5(8)
Ag2 N9 C11 N11 . . -160.3(5)
N10 N9 C11 C12 . . 177.7(7)
Ag2 N9 C11 C12 . . 18.8(11)
C10 N11 C11 N9 . . 1.2(7)
N12 N11 C11 N9 . . 176.9(6)
C10 N11 C11 C12 . . -178.0(7)
N12 N11 C11 C12 . . -2.4(11)
O3 S1 C15 F3 . . -179.1(8)
O1 S1 C15 F3 . . -57.3(8)
O2 S1 C15 F3 . . 60.8(8)
O3 S1 C15 F1 . . 61.2(8)
O1 S1 C15 F1 . . -177.0(7)
O2 S1 C15 F1 . . -58.9(8)
O3 S1 C15 F2 . . -58.8(8)
O1 S1 C15 F2 . . 63.0(8)
O2 S1 C15 F2 . . -178.9(7)
O6 S2 C16 F5 . . 60.0(7)
O4 S2 C16 F5 . . -179.9(6)
O5 S2 C16 F5 . . -59.9(7)
O6 S2 C16 F4 . . -59.8(7)
O4 S2 C16 F4 . . 60.4(7)
O5 S2 C16 F4 . . -179.7(6)
O6 S2 C16 F6 . . 179.9(6)
O4 S2 C16 F6 . . -60.0(7)
O5 S2 C16 F6 . . 60.0(7)
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168309215
