#------------------------------------------------------------------------------
#$Date: 2025-08-23 01:57:28 +0300 (Sat, 23 Aug 2025) $
#$Revision: 301878 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/65/7706556.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_7706556
loop_
_publ_author_name
'Yang, Lin'
'Wang, Lihong'
'Lv, Xingpu'
'Chen, Jing-Huo'
'Wang, Yang'
'Yang, Guang'
_publ_section_title
;
 Complexation of triangular silver(I) or copper(I) nitropyrazolates with
 dibenzothiophenes having potential use in adsorptive desulfurization.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2915
_journal_page_last               2927
_journal_paper_doi               10.1039/d0dt04037a
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C21 H30 Ag3 N9 O6, C12 H8 S'
_chemical_formula_sum            'C33 H38 Ag3 N9 O6 S'
_chemical_formula_weight         1012.39
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2020-09-08
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_audit_update_record
;
2020-09-08 deposited with the CCDC.	2021-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 100.0406(18)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   13.1758(2)
_cell_length_b                   21.4602(4)
_cell_length_c                   13.1785(3)
_cell_measurement_reflns_used    13179
_cell_measurement_temperature    120(10)
_cell_measurement_theta_max      28.8410
_cell_measurement_theta_min      3.0540
_cell_volume                     3669.22(12)
_computing_cell_refinement       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.43f (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      120(10)
_diffrn_detector_area_resol_mean 16.2116
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -51.00  12.00   1.00   25.00    --   18.94 -37.00 120.00   63
  2  ω     17.00  61.00   1.00   25.00    --   18.94 -99.00-180.00   44
  3  ω    -89.00   2.00   1.00   25.00    --  -19.25 -77.00   0.00   91
  4  ω     13.00  51.00   1.00   25.00    --  -19.25  77.00  30.00   38
  5  ω     32.00  61.00   1.00   25.00    --   18.94 -99.00 -90.00   29
  6  ω     35.00  69.00   1.00   25.00    --   18.94 178.00 -90.00   34
  7  ω    -79.00  -3.00   1.00   25.00    --  -19.25 -57.00-120.00   76
  8  ω    -23.00   2.00   1.00   25.00    --  -19.25 -57.00   0.00   25
  9  ω    -82.00 -52.00   1.00   25.00    --  -19.25 -57.00   0.00   30
 10  ω    -40.00 -11.00   1.00   25.00    --  -19.25 -37.00  30.00   29
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'SuperNova, Single source at offset, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0964
_diffrn_reflns_av_unetI/netI     0.0650
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            27145
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         3.065
_exptl_absorpt_coefficient_mu    1.699
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43895
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.43f (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear light colourless'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.833
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2016
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.105
_refine_diff_density_min         -1.353
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     475
_refine_ls_number_reflns         6466
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0444
_refine_ls_R_factor_gt           0.0366
_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)+(0.0312P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0797
_refine_ls_wR_factor_ref         0.0846
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5532
_reflns_number_total             6466
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt04037a2.cif
_cod_data_source_block           ag3(denpz)3-dbt
_cod_depositor_comments
'Adding full bibliography for 7706555--7706561.cif.'
_cod_original_cell_volume        3669.21(13)
_cod_database_code               7706556
_shelx_shelxl_version_number     2017/1
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C2(H2A,H2B), C6(H6A,H6B), C9(H9A,H9B), C13(H13A,H13B), C16(H16A,H16B),
 C20(H20A,H20B)
2.b Aromatic/amide H refined with riding coordinates:
 C23(H23), C24(H24), C25(H25), C26(H26), C30(H30), C31(H31), C32(H32), C33(H33)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C14(H14A,H14B,H14C),
 C15(H15A,H15B,H15C), C21(H21A,H21B,H21C)
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_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 0.20770(2) 0.84007(2) 0.55915(2) 0.01830(10) Uani 1 1 d . . . . .
Ag2 Ag 0.43309(2) 0.75837(2) 0.60007(2) 0.01771(10) Uani 1 1 d . . . . .
Ag3 Ag 0.18673(2) 0.68461(2) 0.56305(2) 0.01730(9) Uani 1 1 d . . . . .
C1 C 0.2156(3) 0.98844(16) 0.6725(3) 0.0290(10) Uani 1 1 d . . . . .
H1A H 0.158730 1.018483 0.662132 0.043 Uiso 1 1 calc GR . . . .
H1B H 0.263281 0.998603 0.736072 0.043 Uiso 1 1 calc GR . . . .
H1C H 0.188141 0.946355 0.677857 0.043 Uiso 1 1 calc GR . . . .
C2 C 0.2728(3) 0.99135(16) 0.5812(3) 0.0244(9) Uani 1 1 d . . . . .
H2A H 0.224826 0.980050 0.517389 0.029 Uiso 1 1 calc R . . . .
H2B H 0.296562 1.034569 0.573321 0.029 Uiso 1 1 calc R . . . .
C3 C 0.3636(3) 0.94840(15) 0.5946(3) 0.0179(8) Uani 1 1 d . . . . .
C4 C 0.4707(3) 0.95762(15) 0.6198(3) 0.0177(8) Uani 1 1 d . . . . .
C5 C 0.5172(3) 0.89827(16) 0.6259(3) 0.0174(8) Uani 1 1 d . . . . .
C6 C 0.6297(3) 0.88262(17) 0.6505(3) 0.0241(9) Uani 1 1 d . . . . .
H6A H 0.659749 0.903836 0.715465 0.029 Uiso 1 1 calc R . . . .
H6B H 0.663664 0.899864 0.595268 0.029 Uiso 1 1 calc R . . . .
C7 C 0.6554(3) 0.81319(17) 0.6618(3) 0.0259(10) Uani 1 1 d . . . . .
H7A H 0.629421 0.791781 0.596769 0.039 Uiso 1 1 calc GR . . . .
H7B H 0.623016 0.795424 0.716779 0.039 Uiso 1 1 calc GR . . . .
H7C H 0.730316 0.807869 0.679116 0.039 Uiso 1 1 calc GR . . . .
C8 C 0.6635(3) 0.64082(18) 0.7140(3) 0.0306(10) Uani 1 1 d . . . . .
H8A H 0.735026 0.650699 0.708767 0.046 Uiso 1 1 calc GR . . . .
H8B H 0.661495 0.601696 0.751970 0.046 Uiso 1 1 calc GR . . . .
H8C H 0.634829 0.674476 0.750607 0.046 Uiso 1 1 calc GR . . . .
C9 C 0.5996(3) 0.63392(17) 0.6055(3) 0.0215(9) Uani 1 1 d . . . . .
H9A H 0.602017 0.673639 0.567818 0.026 Uiso 1 1 calc R . . . .
H9B H 0.631174 0.601308 0.567945 0.026 Uiso 1 1 calc R . . . .
C10 C 0.4890(3) 0.61712(15) 0.6056(3) 0.0162(8) Uani 1 1 d . . . . .
C11 C 0.4390(3) 0.56007(15) 0.6086(3) 0.0170(8) Uani 1 1 d . . . . .
C12 C 0.3330(3) 0.57249(15) 0.6023(3) 0.0175(8) Uani 1 1 d . . . . .
C13 C 0.2404(3) 0.53150(16) 0.5938(3) 0.0226(9) Uani 1 1 d . . . . .
H13A H 0.185412 0.553858 0.621402 0.027 Uiso 1 1 calc R . . . .
H13B H 0.258398 0.493746 0.636267 0.027 Uiso 1 1 calc R . . . .
C14 C 0.1997(3) 0.51204(18) 0.4827(3) 0.0307(10) Uani 1 1 d . . . . .
H14A H 0.181717 0.549257 0.440300 0.046 Uiso 1 1 calc GR . . . .
H14B H 0.138315 0.485956 0.480642 0.046 Uiso 1 1 calc GR . . . .
H14C H 0.252925 0.488397 0.455901 0.046 Uiso 1 1 calc GR . . . .
C15 C -0.1026(3) 0.63254(18) 0.3836(3) 0.0344(11) Uani 1 1 d . . . . .
H15A H -0.159870 0.657140 0.346290 0.052 Uiso 1 1 calc GR . . . .
H15B H -0.121359 0.588303 0.380267 0.052 Uiso 1 1 calc GR . . . .
H15C H -0.041277 0.638776 0.352091 0.052 Uiso 1 1 calc GR . . . .
C16 C -0.0799(3) 0.65328(16) 0.4953(3) 0.0225(9) Uani 1 1 d . . . . .
H16A H -0.142165 0.647122 0.526691 0.027 Uiso 1 1 calc R . . . .
H16B H -0.024213 0.626981 0.533418 0.027 Uiso 1 1 calc R . . . .
C17 C -0.0477(3) 0.72074(17) 0.5062(3) 0.0180(8) Uani 1 1 d . . . . .
C18 C -0.1033(3) 0.77637(17) 0.4947(3) 0.0184(8) Uani 1 1 d . . . . .
C19 C -0.0325(3) 0.82521(16) 0.5122(3) 0.0181(8) Uani 1 1 d . . . . .
C20 C -0.0458(3) 0.89484(16) 0.5140(3) 0.0252(9) Uani 1 1 d . . . . .
H20A H -0.101098 0.907226 0.456720 0.030 Uiso 1 1 calc R . . . .
H20B H 0.018903 0.914994 0.502600 0.030 Uiso 1 1 calc R . . . .
C21 C -0.0727(3) 0.91829(17) 0.6154(3) 0.0312(10) Uani 1 1 d . . . . .
H21A H -0.083227 0.963494 0.611600 0.047 Uiso 1 1 calc GR . . . .
H21B H -0.016176 0.908509 0.671990 0.047 Uiso 1 1 calc GR . . . .
H21C H -0.135968 0.897918 0.627851 0.047 Uiso 1 1 calc GR . . . .
N1 N 0.3485(2) 0.88687(13) 0.5863(2) 0.0174(7) Uani 1 1 d . . . . .
N2 N 0.4423(2) 0.85624(13) 0.6056(2) 0.0181(7) Uani 1 1 d . . . . .
N3 N 0.4175(2) 0.66184(13) 0.5981(2) 0.0169(7) Uani 1 1 d . . . . .
N4 N 0.3222(2) 0.63425(12) 0.5968(2) 0.0157(7) Uani 1 1 d . . . . .
N5 N 0.0516(2) 0.73583(12) 0.5294(3) 0.0166(7) Uani 1 1 d . . . . .
N6 N 0.0611(2) 0.80012(12) 0.5325(2) 0.0166(7) Uani 1 1 d . . . . .
N7 N 0.5225(2) 1.01562(13) 0.6335(2) 0.0228(7) Uani 1 1 d . . . . .
N8 N 0.4848(2) 0.49972(13) 0.6182(2) 0.0220(7) Uani 1 1 d . . . . .
N9 N -0.2125(2) 0.78212(16) 0.4656(3) 0.0255(8) Uani 1 1 d . . . . .
O1 O 0.4713(2) 1.06405(11) 0.6283(3) 0.0383(8) Uani 1 1 d . . . . .
O2 O 0.61837(19) 1.01595(12) 0.6501(2) 0.0314(7) Uani 1 1 d . . . . .
O3 O 0.57955(19) 0.49622(12) 0.6279(2) 0.0297(7) Uani 1 1 d . . . . .
O4 O 0.4286(2) 0.45350(11) 0.6165(2) 0.0316(7) Uani 1 1 d . . . . .
O5 O -0.2641(2) 0.73388(13) 0.4484(3) 0.0385(8) Uani 1 1 d . . . . .
O6 O -0.25045(19) 0.83509(13) 0.4579(2) 0.0316(7) Uani 1 1 d . . . . .
C22 C 0.2929(3) 0.70618(16) 0.3285(3) 0.0194(8) Uani 1 1 d . . . . .
C23 C 0.3795(3) 0.66763(18) 0.3425(3) 0.0244(9) Uani 1 1 d . . . . .
H23 H 0.372934 0.623585 0.338018 0.029 Uiso 1 1 calc R . . . .
C24 C 0.4752(3) 0.69590(18) 0.3631(3) 0.0253(9) Uani 1 1 d . . . . .
H24 H 0.535465 0.670720 0.373686 0.030 Uiso 1 1 calc R . . . .
C25 C 0.4853(3) 0.76098(18) 0.3687(3) 0.0270(10) Uani 1 1 d . . . . .
H25 H 0.552022 0.779190 0.382755 0.032 Uiso 1 1 calc R . . . .
C26 C 0.3988(3) 0.79894(18) 0.3537(3) 0.0226(9) Uani 1 1 d . . . . .
H26 H 0.406057 0.842960 0.357629 0.027 Uiso 1 1 calc R . . . .
C27 C 0.3009(3) 0.77187(16) 0.3330(3) 0.0182(8) Uani 1 1 d . . . . .
C28 C 0.2000(3) 0.80149(16) 0.3133(3) 0.0165(8) Uani 1 1 d . . . . .
C29 C 0.1197(3) 0.75825(16) 0.2939(3) 0.0201(9) Uani 1 1 d . . . . .
C30 C 0.0162(3) 0.77717(18) 0.2716(3) 0.0249(9) Uani 1 1 d . . . . .
H30 H -0.037977 0.747475 0.259242 0.030 Uiso 1 1 calc R . . . .
C31 C -0.0043(3) 0.84055(19) 0.2681(3) 0.0294(10) Uani 1 1 d . . . . .
H31 H -0.073703 0.854535 0.252764 0.035 Uiso 1 1 calc R . . . .
C32 C 0.0751(3) 0.88396(18) 0.2869(3) 0.0268(9) Uani 1 1 d . . . . .
H32 H 0.058750 0.927110 0.284191 0.032 Uiso 1 1 calc R . . . .
C33 C 0.1778(3) 0.86573(17) 0.3094(3) 0.0232(9) Uani 1 1 d . . . . .
H33 H 0.231463 0.895769 0.321821 0.028 Uiso 1 1 calc R . . . .
S1 S 0.16398(7) 0.68109(4) 0.30164(8) 0.0224(2) 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'
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
_geom_angle_publ_flag
N1 Ag1 Ag3 123.42(8) . . ?
N1 Ag1 N6 175.42(11) . . ?
N6 Ag1 Ag3 61.10(7) . . ?
N3 Ag2 N2 177.15(11) . . ?
N4 Ag3 Ag1 116.96(7) . . ?
N4 Ag3 N5 179.48(11) . . ?
N5 Ag3 Ag1 62.52(7) . . ?
C3 C2 C1 112.1(3) . . ?
C4 C3 C2 133.6(3) . . ?
N1 C3 C2 119.6(3) . . ?
N1 C3 C4 106.7(3) . . ?
C3 C4 C5 107.1(3) . . ?
C3 C4 N7 126.5(3) . . ?
C5 C4 N7 126.3(3) . . ?
C4 C5 C6 128.2(3) . . ?
N2 C5 C4 107.6(3) . . ?
N2 C5 C6 124.2(3) . . ?
C5 C6 C7 115.7(3) . . ?
C10 C9 C8 113.4(3) . . ?
C11 C10 C9 132.4(3) . . ?
N3 C10 C9 119.9(3) . . ?
N3 C10 C11 107.6(3) . . ?
C10 C11 C12 107.5(3) . . ?
C10 C11 N8 127.3(3) . . ?
C12 C11 N8 125.3(3) . . ?
C11 C12 C13 132.9(3) . . ?
N4 C12 C11 106.6(3) . . ?
N4 C12 C13 120.3(3) . . ?
C12 C13 C14 112.3(3) . . ?
C17 C16 C15 112.2(3) . . ?
C18 C17 C16 132.7(3) . . ?
N5 C17 C16 120.3(3) . . ?
N5 C17 C18 107.1(3) . . ?
C17 C18 N9 126.1(3) . . ?
C19 C18 C17 107.6(3) . . ?
C19 C18 N9 126.3(3) . . ?
C18 C19 C20 132.3(3) . . ?
N6 C19 C18 107.4(3) . . ?
N6 C19 C20 120.3(3) . . ?
C19 C20 C21 112.7(3) . . ?
C3 N1 Ag1 127.3(2) . . ?
C3 N1 N2 109.8(3) . . ?
N2 N1 Ag1 122.8(2) . . ?
C5 N2 Ag2 136.1(2) . . ?
C5 N2 N1 108.8(3) . . ?
N1 N2 Ag2 115.1(2) . . ?
C10 N3 Ag2 130.3(2) . . ?
C10 N3 N4 108.6(3) . . ?
N4 N3 Ag2 120.8(2) . . ?
C12 N4 Ag3 127.6(2) . . ?
C12 N4 N3 109.7(3) . . ?
N3 N4 Ag3 121.7(2) . . ?
C17 N5 Ag3 133.9(2) . . ?
C17 N5 N6 109.2(3) . . ?
N6 N5 Ag3 116.9(2) . . ?
C19 N6 Ag1 131.8(2) . . ?
C19 N6 N5 108.8(3) . . ?
N5 N6 Ag1 119.3(2) . . ?
O1 N7 C4 119.1(3) . . ?
O1 N7 O2 122.2(3) . . ?
O2 N7 C4 118.6(3) . . ?
O3 N8 C11 118.0(3) . . ?
O3 N8 O4 123.0(3) . . ?
O4 N8 C11 118.9(3) . . ?
O5 N9 C18 118.2(3) . . ?
O5 N9 O6 123.5(3) . . ?
O6 N9 C18 118.3(3) . . ?
C23 C22 C27 122.1(3) . . ?
C23 C22 S1 125.7(3) . . ?
C27 C22 S1 112.1(3) . . ?
C24 C23 C22 117.6(3) . . ?
C23 C24 C25 121.4(3) . . ?
C26 C25 C24 120.6(3) . . ?
C25 C26 C27 119.4(4) . . ?
C22 C27 C28 111.6(3) . . ?
C26 C27 C22 118.8(3) . . ?
C26 C27 C28 129.5(3) . . ?
C29 C28 C27 112.4(3) . . ?
C29 C28 C33 119.8(3) . . ?
C33 C28 C27 127.7(3) . . ?
C28 C29 C30 121.5(3) . . ?
C28 C29 S1 112.5(3) . . ?
C30 C29 S1 125.9(3) . . ?
C31 C30 C29 117.9(4) . . ?
C30 C31 C32 121.0(4) . . ?
C33 C32 C31 121.6(4) . . ?
C32 C33 C28 118.2(4) . . ?
C29 S1 C22 91.28(17) . . ?
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 Ag3 3.3488(4) . ?
Ag1 N1 2.084(3) . ?
Ag1 N6 2.087(3) . ?
Ag2 N2 2.104(3) . ?
Ag2 N3 2.082(3) . ?
Ag3 N4 2.068(3) . ?
Ag3 N5 2.073(3) . ?
C1 C2 1.529(5) . ?
C2 C3 1.496(5) . ?
C3 C4 1.406(5) . ?
C3 N1 1.337(4) . ?
C4 C5 1.409(5) . ?
C4 N7 1.416(4) . ?
C5 C6 1.499(5) . ?
C5 N2 1.329(4) . ?
C6 C7 1.530(5) . ?
C8 C9 1.535(5) . ?
C9 C10 1.501(5) . ?
C10 C11 1.394(5) . ?
C10 N3 1.336(4) . ?
C11 C12 1.410(5) . ?
C11 N8 1.425(4) . ?
C12 C13 1.493(5) . ?
C12 N4 1.334(4) . ?
C13 C14 1.527(5) . ?
C15 C16 1.517(5) . ?
C16 C17 1.508(5) . ?
C17 C18 1.395(5) . ?
C17 N5 1.331(4) . ?
C18 C19 1.395(5) . ?
C18 N9 1.428(4) . ?
C19 C20 1.505(5) . ?
C19 N6 1.330(4) . ?
C20 C21 1.527(5) . ?
N1 N2 1.384(4) . ?
N3 N4 1.385(4) . ?
N5 N6 1.385(4) . ?
N7 O1 1.235(4) . ?
N7 O2 1.244(4) . ?
N8 O3 1.234(4) . ?
N8 O4 1.236(4) . ?
N9 O5 1.238(4) . ?
N9 O6 1.239(4) . ?
C22 C23 1.395(5) . ?
C22 C27 1.414(5) . ?
C22 S1 1.758(4) . ?
C23 C24 1.384(5) . ?
C24 C25 1.404(5) . ?
C25 C26 1.387(5) . ?
C26 C27 1.398(5) . ?
C27 C28 1.455(5) . ?
C28 C29 1.397(5) . ?
C28 C33 1.408(5) . ?
C29 C30 1.404(5) . ?
C29 S1 1.752(3) . ?
C30 C31 1.386(5) . ?
C31 C32 1.390(5) . ?
C32 C33 1.390(5) . ?
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 168343844
