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#$Date: 2025-07-06 17:55:56 +0300 (Sun, 06 Jul 2025) $
#$Revision: 300682 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/25/04/7250477.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_7250477
loop_
_publ_author_name
'Bahrani-Pour, Maryam'
'Beheshti, Azizolla'
'Sedaghat, Tahereh'
'Samiee, Sepideh'
'Soleymani-babadi, Susan'
'Shakeri, Fatemeh'
'Janczak, Jan'
'Parisi, Emmanuele'
_publ_section_title
;
 Effect of anion variation on the iodine adsorption capacity of new
 silver(i)-dithione coordination polymers
;
_journal_issue                   24
_journal_name_full               CrystEngComm
_journal_page_first              4102
_journal_page_last               4115
_journal_paper_doi               10.1039/D5CE00275C
_journal_volume                  27
_journal_year                    2025
_chemical_formula_moiety         'C16 H18 Ag N4 S2, F6 P, C2 H3 N'
_chemical_formula_sum            'C18 H21 Ag F6 N5 P S2'
_chemical_formula_weight         624.36
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-04-26 deposited with the CCDC.	2025-05-13 downloaded from the CCDC.
;
_cell_angle_alpha                99.962(9)
_cell_angle_beta                 105.877(9)
_cell_angle_gamma                92.806(7)
_cell_formula_units_Z            2
_cell_length_a                   8.9221(7)
_cell_length_b                   9.1495(9)
_cell_length_c                   15.5032(19)
_cell_measurement_reflns_used    1565
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      24.6330
_cell_measurement_theta_min      3.0730
_cell_volume                     1192.7(2)
_computing_cell_refinement
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
;
_computing_data_collection
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
;
_computing_data_reduction
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
;
_computing_molecular_graphics
;
Brandenburg & Putz (2006). Diamond 3.0. Crystal and Molecular
Structure Visualisation, University of Bonn, Germany
;
_computing_publication_material  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.6249
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas'
_diffrn_measurement_method       ω-scan
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0739
_diffrn_reflns_av_unetI/netI     0.0891
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            18660
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        26.500
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         2.423
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    1.150
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.42.93a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.738
_exptl_crystal_description       needle
_exptl_crystal_F_000             624
_exptl_crystal_size_max          0.356
_exptl_crystal_size_mid          0.024
_exptl_crystal_size_min          0.021
_refine_diff_density_max         0.478
_refine_diff_density_min         -0.479
_refine_diff_density_rms         0.090
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         5295
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.3091
_refine_ls_R_factor_gt           0.0888
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0135P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1023
_refine_ls_wR_factor_ref         0.1292
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1541
_reflns_number_total             5295
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d5ce00275c2.cif
_cod_data_source_block           MB114_RT
_cod_depositor_comments
'Adding full bibliography for 7250475--7250481.cif.'
_cod_database_code               7250477
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.685
_shelx_estimated_absorpt_t_max   0.976
_exptl_absorpt_special_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ag1 Ag 0.25104(13) 1.00350(12) 0.49762(6) 0.0845(3) Uani 1 1 d . . . . .
S1 S 0.3855(3) 0.9599(3) 0.38378(15) 0.0680(8) Uani 1 1 d . . . . .
C1 C 0.2601(10) 0.8187(10) 0.3031(6) 0.042(2) Uani 1 1 d . . . . .
N1 N 0.1397(9) 0.8422(8) 0.2334(5) 0.0406(19) Uani 1 1 d . . . . .
C2 C 0.0680(12) 0.7098(12) 0.1847(6) 0.064(3) Uani 1 1 d . . . . .
H2 H -0.020706 0.694670 0.134528 0.076 Uiso 1 1 calc R U . . .
C3 C 0.1469(11) 0.6009(11) 0.2210(5) 0.058(3) Uani 1 1 d . . . . .
H3 H 0.123790 0.498495 0.200373 0.070 Uiso 1 1 calc R U . . .
N2 N 0.2708(7) 0.6746(9) 0.2964(4) 0.040(2) Uani 1 1 d . . . . .
C4 C 0.0941(10) 0.9823(10) 0.2154(5) 0.067(3) Uani 1 1 d . . . . .
H4A H 0.019019 1.013100 0.247134 0.100 Uiso 1 1 calc R U . . .
H4B H 0.048056 0.974335 0.150869 0.100 Uiso 1 1 calc R U . . .
H15C H 0.184339 1.054594 0.235955 0.100 Uiso 1 1 calc R U . . .
C5 C 0.3839(9) 0.5993(10) 0.3574(5) 0.056(3) Uani 1 1 d . . . . .
H5A H 0.477381 0.667385 0.388332 0.067 Uiso 1 1 calc R U . . .
H5B H 0.413773 0.514169 0.321353 0.067 Uiso 1 1 calc R U . . .
C6 C 0.3153(10) 0.5461(11) 0.4292(6) 0.045(3) Uani 1 1 d . . . . .
C7 C 0.2290(10) 0.4105(11) 0.4103(6) 0.055(3) Uani 1 1 d . . . . .
H7 H 0.212609 0.349380 0.353269 0.066 Uiso 1 1 calc R U . . .
C8 C 0.1648(10) 0.3613(10) 0.4743(6) 0.051(3) Uani 1 1 d . . . . .
H8 H 0.109332 0.267388 0.460504 0.062 Uiso 1 1 calc R U . . .
C9 C 0.1837(10) 0.4510(13) 0.5565(6) 0.055(3) Uani 1 1 d . . . . .
C10 C 0.2754(11) 0.5916(12) 0.5771(6) 0.060(3) Uani 1 1 d . . . . .
H10 H 0.297156 0.652250 0.634690 0.072 Uiso 1 1 calc R U . . .
C11 C 0.3317(10) 0.6364(9) 0.5092(5) 0.043(2) Uani 1 1 d . . . . .
H11 H 0.382187 0.731957 0.520129 0.052 Uiso 1 1 calc R U . . .
C12 C 0.1165(9) 0.4037(10) 0.6263(5) 0.051(3) Uani 1 1 d . . . . .
H12A H 0.079500 0.489459 0.657530 0.061 Uiso 1 1 calc R U . . .
H12B H 0.026789 0.330853 0.595583 0.061 Uiso 1 1 calc R U . . .
N3 N 0.2270(8) 0.3392(10) 0.6941(4) 0.050(2) Uani 1 1 d . . . . .
C13 C 0.2316(10) 0.1897(12) 0.6902(6) 0.047(3) Uani 1 1 d . . . . .
S2 S 0.1164(3) 0.0466(3) 0.61209(15) 0.0662(8) Uani 1 1 d . . . . .
N4 N 0.3489(9) 0.1792(10) 0.7668(5) 0.052(2) Uani 1 1 d . . . . .
C14 C 0.4136(10) 0.3159(14) 0.8155(6) 0.056(3) Uani 1 1 d . . . . .
H14 H 0.493894 0.337196 0.870088 0.067 Uiso 1 1 calc R U . . .
C15 C 0.3384(11) 0.4144(12) 0.7692(6) 0.061(3) Uani 1 1 d . . . . .
H15 H 0.359295 0.517590 0.785902 0.073 Uiso 1 1 calc R U . . .
C16 C 0.4004(10) 0.0368(9) 0.7940(6) 0.068(3) Uani 1 1 d . . . . .
H16A H 0.310121 -0.031949 0.784898 0.102 Uiso 1 1 calc R U . . .
H16B H 0.459767 0.056425 0.857350 0.102 Uiso 1 1 calc R U . . .
H16C H 0.464348 -0.005577 0.757394 0.102 Uiso 1 1 calc R U . . .
N5 N 0.8914(11) 1.2851(11) 1.2099(5) 0.095(3) Uani 1 1 d . . . . .
C17 C 0.8406(12) 1.2704(13) 1.1298(10) 0.089(4) Uani 1 1 d . . . . .
C18 C 0.7931(14) 1.2578(13) 1.0370(7) 0.108(4) Uani 1 1 d . . . . .
H18A H 0.856330 1.192812 1.010153 0.162 Uiso 1 1 calc R U . . .
H18B H 0.804141 1.354437 1.021999 0.162 Uiso 1 1 calc R U . . .
H18C H 0.685273 1.217196 1.013741 0.162 Uiso 1 1 calc R U . . .
P1 P 0.6947(3) 0.7470(3) 0.9391(2) 0.0654(8) Uani 1 1 d . . . . .
F1 F 0.7410(8) 0.7967(9) 1.0468(4) 0.155(3) Uani 1 1 d . . . . .
F2 F 0.6450(11) 0.7006(11) 0.8348(5) 0.197(4) Uani 1 1 d . . . . .
F3 F 0.8256(15) 0.6324(16) 0.9643(8) 0.113(4) Uiso 0.5 1 d . . P A -1
F4 F 0.5817(18) 0.8679(19) 0.9363(9) 0.128(5) Uiso 0.5 1 d . . P A -1
F5 F 0.8362(18) 0.8766(19) 0.9500(10) 0.143(5) Uiso 0.5 1 d . . P A -1
F6 F 0.5757(17) 0.6184(17) 0.9517(8) 0.119(4) Uiso 0.5 1 d . . P A -1
F33 F 0.6986(16) 0.9174(14) 0.9226(7) 0.100(4) Uiso 0.5 1 d . . P A -2
F34 F 0.682(2) 0.576(2) 0.9293(12) 0.185(7) Uiso 0.5 1 d . . P A -2
F35 F 0.8594(16) 0.746(2) 0.9307(9) 0.136(5) Uiso 0.5 1 d . . P A -2
F36 F 0.5188(18) 0.745(2) 0.9339(10) 0.148(5) Uiso 0.5 1 d . . P 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'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
S1 Ag1 S2 179.82(12) . 1_565 ?
C1 S1 Ag1 101.5(3) . . ?
N2 C1 N1 109.3(8) . . ?
N2 C1 S1 126.3(8) . . ?
N1 C1 S1 124.3(7) . . ?
C2 N1 C1 108.5(7) . . ?
C2 N1 C4 125.2(8) . . ?
C1 N1 C4 126.3(8) . . ?
N1 C2 C3 108.3(8) . . ?
N1 C2 H2 125.8 . . ?
C3 C2 H2 125.8 . . ?
C2 C3 N2 106.3(9) . . ?
C2 C3 H3 126.9 . . ?
N2 C3 H3 126.9 . . ?
C1 N2 C3 107.5(7) . . ?
C1 N2 C5 127.7(9) . . ?
C3 N2 C5 124.7(9) . . ?
N1 C4 H4A 109.5 . . ?
N1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
N1 C4 H15C 109.5 . . ?
H4A C4 H15C 109.5 . . ?
H4B C4 H15C 109.5 . . ?
N2 C5 C6 111.7(6) . . ?
N2 C5 H5A 109.3 . . ?
C6 C5 H5A 109.3 . . ?
N2 C5 H5B 109.3 . . ?
C6 C5 H5B 109.3 . . ?
H5A C5 H5B 107.9 . . ?
C11 C6 C7 118.8(9) . . ?
C11 C6 C5 119.9(10) . . ?
C7 C6 C5 121.1(8) . . ?
C6 C7 C8 121.8(9) . . ?
C6 C7 H7 119.1 . . ?
C8 C7 H7 119.1 . . ?
C9 C8 C7 119.7(10) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C8 C9 C10 118.7(9) . . ?
C8 C9 C12 121.5(11) . . ?
C10 C9 C12 119.8(10) . . ?
C11 C10 C9 118.7(9) . . ?
C11 C10 H10 120.6 . . ?
C9 C10 H10 120.6 . . ?
C6 C11 C10 121.9(10) . . ?
C6 C11 H11 119.0 . . ?
C10 C11 H11 119.0 . . ?
N3 C12 C9 113.8(6) . . ?
N3 C12 H12A 108.8 . . ?
C9 C12 H12A 108.8 . . ?
N3 C12 H12B 108.8 . . ?
C9 C12 H12B 108.8 . . ?
H12A C12 H12B 107.7 . . ?
C15 N3 C13 109.6(8) . . ?
C15 N3 C12 126.8(9) . . ?
C13 N3 C12 123.6(8) . . ?
N3 C13 N4 104.2(8) . . ?
N3 C13 S2 129.0(8) . . ?
N4 C13 S2 126.8(9) . . ?
C13 S2 Ag1 102.9(3) . 1_545 ?
C14 N4 C13 111.1(8) . . ?
C14 N4 C16 123.6(8) . . ?
C13 N4 C16 125.2(10) . . ?
C15 C14 N4 106.1(8) . . ?
C15 C14 H14 126.9 . . ?
N4 C14 H14 126.9 . . ?
C14 C15 N3 108.9(10) . . ?
C14 C15 H15 125.5 . . ?
N3 C15 H15 125.5 . . ?
N4 C16 H16A 109.5 . . ?
N4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
N5 C17 C18 175.5(14) . . ?
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 . . ?
F35 P1 F2 84.7(6) . . ?
F2 P1 F4 92.3(6) . . ?
F35 P1 F34 90.0(10) . . ?
F2 P1 F34 80.1(8) . . ?
F35 P1 F36 172.6(8) . . ?
F2 P1 F36 87.9(7) . . ?
F34 P1 F36 89.6(9) . . ?
F35 P1 F1 97.0(6) . . ?
F2 P1 F1 178.3(5) . . ?
F4 P1 F1 86.1(6) . . ?
F34 P1 F1 100.4(7) . . ?
F36 P1 F1 90.4(6) . . ?
F2 P1 F6 93.6(6) . . ?
F4 P1 F6 95.7(8) . . ?
F1 P1 F6 85.8(5) . . ?
F2 P1 F3 99.4(6) . . ?
F4 P1 F3 168.2(7) . . ?
F1 P1 F3 82.2(5) . . ?
F6 P1 F3 84.5(7) . . ?
F35 P1 F33 87.8(8) . . ?
F2 P1 F33 86.0(6) . . ?
F34 P1 F33 166.1(8) . . ?
F36 P1 F33 90.8(8) . . ?
F1 P1 F33 93.4(5) . . ?
F2 P1 F5 98.3(6) . . ?
F4 P1 F5 88.6(8) . . ?
F1 P1 F5 82.5(6) . . ?
F6 P1 F5 167.2(7) . . ?
F3 P1 F5 88.8(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 S1 2.382(2) . ?
Ag1 S2 2.391(2) 1_565 ?
S1 C1 1.737(9) . ?
C1 N2 1.315(9) . ?
C1 N1 1.356(9) . ?
N1 C2 1.338(10) . ?
N1 C4 1.414(10) . ?
C2 C3 1.361(11) . ?
C2 H2 0.9300 . ?
C3 N2 1.410(9) . ?
C3 H3 0.9300 . ?
N2 C5 1.469(8) . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H15C 0.9600 . ?
C5 C6 1.543(10) . ?
C5 H5A 0.9700 . ?
C5 H5B 0.9700 . ?
C6 C11 1.334(9) . ?
C6 C7 1.370(11) . ?
C7 C8 1.399(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.354(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.428(13) . ?
C9 C12 1.486(10) . ?
C10 C11 1.395(11) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 N3 1.460(9) . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
N3 C15 1.357(10) . ?
N3 C13 1.361(10) . ?
C13 N4 1.373(9) . ?
C13 S2 1.696(10) . ?
N4 C14 1.354(11) . ?
N4 C16 1.493(9) . ?
C14 C15 1.340(11) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
N5 C17 1.180(12) . ?
C17 C18 1.366(13) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
P1 F35 1.511(14) . ?
P1 F2 1.530(7) . ?
P1 F4 1.531(13) . ?
P1 F34 1.540(19) . ?
P1 F36 1.548(15) . ?
P1 F1 1.584(6) . ?
P1 F6 1.620(14) . ?
P1 F3 1.622(13) . ?
P1 F33 1.623(12) . ?
P1 F5 1.642(16) . ?
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
Ag1 S1 C1 N2 -94.8(7) . . . . ?
Ag1 S1 C1 N1 89.3(6) . . . . ?
N2 C1 N1 C2 3.5(9) . . . . ?
S1 C1 N1 C2 180.0(7) . . . . ?
N2 C1 N1 C4 -177.8(7) . . . . ?
S1 C1 N1 C4 -1.3(11) . . . . ?
C1 N1 C2 C3 -2.6(10) . . . . ?
C4 N1 C2 C3 178.6(7) . . . . ?
N1 C2 C3 N2 0.9(10) . . . . ?
N1 C1 N2 C3 -2.8(9) . . . . ?
S1 C1 N2 C3 -179.2(5) . . . . ?
N1 C1 N2 C5 -179.8(6) . . . . ?
S1 C1 N2 C5 3.8(12) . . . . ?
C2 C3 N2 C1 1.2(10) . . . . ?
C2 C3 N2 C5 178.3(7) . . . . ?
C1 N2 C5 C6 96.5(10) . . . . ?
C3 N2 C5 C6 -80.0(9) . . . . ?
N2 C5 C6 C11 -89.5(9) . . . . ?
N2 C5 C6 C7 86.4(10) . . . . ?
C11 C6 C7 C8 -3.4(12) . . . . ?
C5 C6 C7 C8 -179.4(7) . . . . ?
C6 C7 C8 C9 2.0(12) . . . . ?
C7 C8 C9 C10 -2.8(11) . . . . ?
C7 C8 C9 C12 179.5(7) . . . . ?
C8 C9 C10 C11 4.9(11) . . . . ?
C12 C9 C10 C11 -177.3(7) . . . . ?
C7 C6 C11 C10 5.7(12) . . . . ?
C5 C6 C11 C10 -178.3(7) . . . . ?
C9 C10 C11 C6 -6.6(12) . . . . ?
C8 C9 C12 N3 96.0(9) . . . . ?
C10 C9 C12 N3 -81.7(10) . . . . ?
C9 C12 N3 C15 81.2(10) . . . . ?
C9 C12 N3 C13 -99.0(10) . . . . ?
C15 N3 C13 N4 0.8(9) . . . . ?
C12 N3 C13 N4 -179.0(6) . . . . ?
C15 N3 C13 S2 178.7(6) . . . . ?
C12 N3 C13 S2 -1.1(12) . . . . ?
N3 C13 S2 Ag1 88.5(8) . . . 1_545 ?
N4 C13 S2 Ag1 -94.0(7) . . . 1_545 ?
N3 C13 N4 C14 0.0(9) . . . . ?
S2 C13 N4 C14 -178.0(6) . . . . ?
N3 C13 N4 C16 180.0(7) . . . . ?
S2 C13 N4 C16 2.0(11) . . . . ?
C13 N4 C14 C15 -0.8(9) . . . . ?
C16 N4 C14 C15 179.3(7) . . . . ?
N4 C14 C15 N3 1.2(9) . . . . ?
C13 N3 C15 C14 -1.3(10) . . . . ?
C12 N3 C15 C14 178.5(7) . . . . ?
