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#$Date: 2025-08-21 03:19:08 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301842 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/50/09/4500925.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_4500925
loop_
_publ_author_name
'Hao, Hong-Jun'
'Sun, Di'
'Li, Yun-Hua'
'Liu, Fu-Jing'
'Huang, Rong-Bin'
'Zheng, Lan-Sun'
_publ_section_title
;
 Effect of Different Carboxylates on a Series of Ag(I) Coordination
 Compounds with Benzoguanamine Ligand
;
_journal_issue                   8
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              3564
_journal_paper_doi               10.1021/cg200534x
_journal_volume                  11
_journal_year                    2011
_chemical_formula_sum            'C62 H58 Ag4 N30 O8'
_chemical_formula_weight         1782.86
_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           SHELXL-97
_cell_angle_alpha                107.60(3)
_cell_angle_beta                 104.36(3)
_cell_angle_gamma                110.89(3)
_cell_formula_units_Z            1
_cell_length_a                   10.553(2)
_cell_length_b                   13.529(3)
_cell_length_c                   14.104(3)
_cell_measurement_reflns_used    12546
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      55.01
_cell_measurement_theta_min      6.01
_cell_volume                     1643.9(10)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID Imaging Plate'
_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  0.0328
_diffrn_reflns_av_sigmaI/netI    0.0445
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            14233
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    1.255
_exptl_absorpt_correction_T_max  0.8847
_exptl_absorpt_correction_T_min  0.8340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.801
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lamellar
_exptl_crystal_F_000             892
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.750
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.907
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6429
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.907
_refine_ls_R_factor_all          0.0403
_refine_ls_R_factor_gt           0.0288
_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)+(0.0404P)²+5.6382P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0680
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                5350
_reflns_number_total             6429
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            cg200534x_si_002.cif
_cod_data_source_block           p2
_cod_original_cell_volume        1643.9(6)
_cod_original_sg_symbol_H-M      p-1
_cod_database_code               4500925
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ag1 Ag 0.66731(3) 0.06249(2) 0.32980(2) 0.02341(9) Uani 1 1 d .
Ag2 Ag 0.51855(3) 0.14879(2) 0.53207(2) 0.03180(10) Uani 1 1 d .
O1 O 0.4467(3) -0.0461(2) 0.3801(2) 0.0264(6) Uani 1 1 d .
O2 O 0.3978(3) -0.0599(2) 0.2140(2) 0.0264(6) Uani 1 1 d .
O3 O 0.2199(3) 0.0033(2) 0.4701(2) 0.0385(7) Uani 1 1 d .
O4 O 0.1883(3) -0.1636(2) 0.4829(2) 0.0370(7) Uani 1 1 d .
N1 N 0.7120(3) 0.2359(2) 0.3045(2) 0.0196(6) Uani 1 1 d .
N2 N 0.6393(3) 0.3116(3) 0.1799(2) 0.0246(7) Uani 1 1 d .
N3 N 0.8875(3) 0.4104(3) 0.3087(2) 0.0223(6) Uani 1 1 d .
N4 N 0.4720(3) 0.1471(3) 0.1768(2) 0.0240(7) Uani 1 1 d .
H4B H 0.4055 0.1438 0.1224 0.029 Uiso 1 1 calc R
H4C H 0.4471 0.0935 0.2013 0.029 Uiso 1 1 calc R
N5 N 0.9530(3) 0.3365(3) 0.4284(3) 0.0275(7) Uani 1 1 d .
H5B H 1.0435 0.3946 0.4570 0.033 Uiso 1 1 calc R
H5C H 0.9313 0.2841 0.4544 0.033 Uiso 1 1 calc R
N6 N 0.5425(3) 0.2818(2) 0.4742(2) 0.0215(6) Uani 1 1 d .
N7 N 0.6891(3) 0.4680(3) 0.4815(2) 0.0227(6) Uani 1 1 d .
N8 N 0.4343(3) 0.3537(3) 0.3600(2) 0.0222(6) Uani 1 1 d .
N9 N 0.3002(3) 0.1731(3) 0.3520(3) 0.0258(7) Uani 1 1 d .
H9A H 0.2233 0.1629 0.3004 0.031 Uiso 1 1 calc R
H9B H 0.2932 0.1182 0.3745 0.031 Uiso 1 1 calc R
N10 N 0.7889(3) 0.3945(3) 0.5900(3) 0.0262(7) Uani 1 1 d .
H10A H 0.7808 0.3397 0.6129 0.031 Uiso 1 1 calc R
H10B H 0.8742 0.4580 0.6173 0.031 Uiso 1 1 calc R
N21 N 0.7374(3) -0.0513(2) 0.2149(2) 0.0190(6) Uani 1 1 d .
N22 N 0.7212(3) -0.1466(3) 0.0361(2) 0.0217(6) Uani 1 1 d .
N23 N 0.9523(3) -0.0496(3) 0.1879(2) 0.0234(6) Uani 1 1 d .
N24 N 0.5163(3) -0.1543(3) 0.0650(2) 0.0293(8) Uani 1 1 d .
H24B H 0.4647 -0.1964 -0.0053 0.035 Uiso 1 1 calc R
H24C H 0.4719 -0.1370 0.1079 0.035 Uiso 1 1 calc R
N25 N 0.9574(3) 0.0275(3) 0.3587(2) 0.0300(8) Uani 1 1 d .
H25A H 0.9147 0.0447 0.4030 0.036 Uiso 1 1 calc R
H25B H 1.0515 0.0454 0.3850 0.036 Uiso 1 1 calc R
C1 C 0.8081(4) 0.4735(3) 0.1701(3) 0.0297(9) Uani 1 1 d .
C2 C 0.9366(6) 0.5071(4) 0.1514(4) 0.0431(11) Uani 1 1 d .
H2A H 1.0104 0.4875 0.1807 0.052 Uiso 1 1 calc R
C3 C 0.9566(7) 0.5691(4) 0.0901(4) 0.0559(15) Uani 1 1 d .
H3A H 1.0435 0.5909 0.0758 0.067 Uiso 1 1 calc R
C4 C 0.8506(8) 0.5997(4) 0.0493(4) 0.069(2) Uani 1 1 d .
H4A H 0.8644 0.6412 0.0060 0.083 Uiso 1 1 calc R
C5 C 0.7250(7) 0.5705(4) 0.0707(4) 0.0647(18) Uani 1 1 d .
H5A H 0.6545 0.5946 0.0448 0.078 Uiso 1 1 calc R
C6 C 0.7024(6) 0.5056(4) 0.1304(4) 0.0468(12) Uani 1 1 d .
H6A H 0.6150 0.4833 0.1439 0.056 Uiso 1 1 calc R
C7 C 0.7782(4) 0.3952(3) 0.2247(3) 0.0231(8) Uani 1 1 d .
C8 C 0.6099(4) 0.2328(3) 0.2220(3) 0.0188(7) Uani 1 1 d .
C9 C 0.8490(4) 0.3280(3) 0.3458(3) 0.0211(7) Uani 1 1 d .
C10 C 0.5749(4) 0.5418(3) 0.3678(3) 0.0243(8) Uani 1 1 d .
C12 C 0.7126(5) 0.7321(3) 0.3752(3) 0.0371(10) Uani 1 1 d .
H12A H 0.8026 0.8025 0.4047 0.045 Uiso 1 1 calc R
C13 C 0.5903(5) 0.7162(4) 0.2969(3) 0.0379(10) Uani 1 1 d .
H13A H 0.5955 0.7753 0.2725 0.045 Uiso 1 1 calc R
C14 C 0.4589(5) 0.6127(4) 0.2535(3) 0.0389(10) Uani 1 1 d .
H14A H 0.3739 0.6012 0.1992 0.047 Uiso 1 1 calc R
C15 C 0.4505(5) 0.5261(3) 0.2885(3) 0.0315(9) Uani 1 1 d .
H15A H 0.3600 0.4560 0.2584 0.038 Uiso 1 1 calc R
C16 C 0.6715(4) 0.3812(3) 0.5138(3) 0.0219(7) Uani 1 1 d .
C17 C 0.5658(4) 0.4492(3) 0.4057(3) 0.0216(7) Uani 1 1 d .
C18 C 0.4278(4) 0.2722(3) 0.3963(3) 0.0205(7) Uani 1 1 d .
C19 C 0.9402(4) -0.1356(3) 0.0068(3) 0.0193(7) Uani 1 1 d .
C20 C 1.0948(4) -0.0862(3) 0.0466(3) 0.0219(7) Uani 1 1 d .
H20A H 1.1530 -0.0355 0.1214 0.026 Uiso 1 1 calc R
C21 C 1.1626(4) -0.1111(3) -0.0230(3) 0.0274(8) Uani 1 1 d .
H21A H 1.2674 -0.0773 0.0042 0.033 Uiso 1 1 calc R
C22 C 1.0783(4) -0.1854(3) -0.1324(3) 0.0277(8) Uani 1 1 d .
H22A H 1.1257 -0.2014 -0.1799 0.033 Uiso 1 1 calc R
C23 C 0.9249(4) -0.2364(3) -0.1727(3) 0.0276(8) Uani 1 1 d .
H23A H 0.8673 -0.2886 -0.2473 0.033 Uiso 1 1 calc R
C24 C 0.8562(4) -0.2108(3) -0.1033(3) 0.0238(8) Uani 1 1 d .
H24A H 0.7513 -0.2446 -0.1310 0.029 Uiso 1 1 calc R
C25 C 0.8677(4) -0.1085(3) 0.0815(3) 0.0191(7) Uani 1 1 d .
C26 C 0.6595(4) -0.1173(3) 0.1059(3) 0.0225(7) Uani 1 1 d .
C11 C 0.7071(5) 0.6470(3) 0.4123(3) 0.0304(9) Uani 1 1 d .
H11A H 0.7923 0.6599 0.4674 0.037 Uiso 1 1 calc R
C27 C 0.8790(4) -0.0259(3) 0.2511(3) 0.0219(7) Uani 1 1 d .
C28 C 0.1841(4) -0.1034(3) 0.4304(3) 0.0212(7) Uani 1 1 d .
C29 C 0.1235(4) -0.1705(3) 0.3103(3) 0.0263(8) Uani 1 1 d .
H29A H 0.0205 -0.2235 0.2751 0.032 Uiso 1 1 calc R
C30 C 0.1982(4) -0.1639(3) 0.2478(3) 0.0287(9) Uani 1 1 d .
H30A H 0.1441 -0.2146 0.1726 0.034 Uiso 1 1 calc R
C31 C 0.3571(4) -0.0859(3) 0.2829(3) 0.0207(7) 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'
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
N21 Ag1 O4 120.25(11) . 2_656 y
N21 Ag1 N1 108.99(10) . . y
O4 Ag1 N1 94.33(10) 2_656 . y
N21 Ag1 O2 94.42(10) . . y
O4 Ag1 O2 135.25(10) 2_656 . y
N1 Ag1 O2 100.36(10) . . y
N21 Ag1 O1 118.44(9) . . y
O4 Ag1 O1 86.44(10) 2_656 . y
N1 Ag1 O1 124.13(9) . . y
O2 Ag1 O1 50.51(8) . . y
N21 Ag1 Ag2 159.21(7) . . ?
O4 Ag1 Ag2 56.85(8) 2_656 . ?
N1 Ag1 Ag2 91.79(7) . . ?
O2 Ag1 Ag2 80.49(7) . . ?
O1 Ag1 Ag2 43.85(6) . . ?
N6 Ag2 O1 165.17(10) . 2_656 y
N6 Ag2 O1 111.05(10) . . y
O1 Ag2 O1 77.37(10) 2_656 . y
N6 Ag2 Ag1 79.20(8) . . ?
O1 Ag2 Ag1 99.96(8) 2_656 . ?
O1 Ag2 Ag1 46.50(6) . . ?
C31 O1 Ag2 126.6(2) . 2_656 ?
C31 O1 Ag2 124.7(2) . . ?
Ag2 O1 Ag2 102.63(10) 2_656 . ?
C31 O1 Ag1 89.3(2) . . ?
Ag2 O1 Ag1 116.55(11) 2_656 . ?
Ag2 O1 Ag1 89.65(8) . . ?
C31 O2 Ag1 98.0(2) . . ?
C28 O4 Ag1 117.5(2) . 2_656 ?
C8 N1 C9 114.7(3) . . ?
C8 N1 Ag1 119.4(2) . . ?
C9 N1 Ag1 123.0(2) . . ?
C7 N2 C8 115.5(3) . . ?
C7 N3 C9 114.5(3) . . ?
C8 N4 H4B 120.0 . . ?
C8 N4 H4C 120.0 . . ?
H4B N4 H4C 120.0 . . ?
C9 N5 H5B 120.0 . . ?
C9 N5 H5C 120.0 . . ?
H5B N5 H5C 120.0 . . ?
C18 N6 C16 115.4(3) . . ?
C18 N6 Ag2 121.8(2) . . ?
C16 N6 Ag2 122.8(2) . . ?
C17 N7 C16 114.5(3) . . ?
C18 N8 C17 115.3(3) . . ?
C18 N9 H9A 120.0 . . ?
C18 N9 H9B 120.0 . . ?
H9A N9 H9B 120.0 . . ?
C16 N10 H10A 120.0 . . ?
C16 N10 H10B 120.0 . . ?
H10A N10 H10B 120.0 . . ?
C27 N21 C26 115.3(3) . . ?
C27 N21 Ag1 116.7(2) . . ?
C26 N21 Ag1 125.4(2) . . ?
C25 N22 C26 115.3(3) . . ?
C25 N23 C27 114.4(3) . . ?
C26 N24 H24B 120.0 . . ?
C26 N24 H24C 120.0 . . ?
H24B N24 H24C 120.0 . . ?
C27 N25 H25A 120.0 . . ?
C27 N25 H25B 120.0 . . ?
H25A N25 H25B 120.0 . . ?
C2 C1 C6 120.2(4) . . ?
C2 C1 C7 119.7(4) . . ?
C6 C1 C7 119.9(4) . . ?
C3 C2 C1 119.7(5) . . ?
C3 C2 H2A 120.2 . . ?
C1 C2 H2A 120.2 . . ?
C2 C3 C4 120.1(5) . . ?
C2 C3 H3A 119.9 . . ?
C4 C3 H3A 119.9 . . ?
C3 C4 C5 120.7(5) . . ?
C3 C4 H4A 119.6 . . ?
C5 C4 H4A 119.6 . . ?
C6 C5 C4 119.4(6) . . ?
C6 C5 H5A 120.3 . . ?
C4 C5 H5A 120.3 . . ?
C5 C6 C1 119.8(5) . . ?
C5 C6 H6A 120.1 . . ?
C1 C6 H6A 120.1 . . ?
N2 C7 N3 126.2(3) . . ?
N2 C7 C1 113.6(3) . . ?
N3 C7 C1 120.2(3) . . ?
N4 C8 N2 116.4(3) . . ?
N4 C8 N1 119.5(3) . . ?
N2 C8 N1 124.1(3) . . ?
N5 C9 N3 117.9(3) . . ?
N5 C9 N1 117.3(3) . . ?
N3 C9 N1 124.9(3) . . ?
C15 C10 C11 119.0(4) . . ?
C15 C10 C17 120.1(3) . . ?
C11 C10 C17 120.9(3) . . ?
C13 C12 C11 121.2(4) . . ?
C13 C12 H12A 119.4 . . ?
C11 C12 H12A 119.4 . . ?
C12 C13 C14 119.2(4) . . ?
C12 C13 H13A 120.4 . . ?
C14 C13 H13A 120.4 . . ?
C15 C14 C13 120.7(4) . . ?
C15 C14 H14A 119.6 . . ?
C13 C14 H14A 119.6 . . ?
C14 C15 C10 120.1(4) . . ?
C14 C15 H15A 119.9 . . ?
C10 C15 H15A 119.9 . . ?
N10 C16 N6 117.8(3) . . ?
N10 C16 N7 117.9(3) . . ?
N6 C16 N7 124.3(3) . . ?
N7 C17 N8 125.9(3) . . ?
N7 C17 C10 117.8(3) . . ?
N8 C17 C10 116.2(3) . . ?
N8 C18 N9 118.3(3) . . ?
N8 C18 N6 124.6(3) . . ?
N9 C18 N6 117.1(3) . . ?
C24 C19 C20 119.2(3) . . ?
C24 C19 C25 120.8(3) . . ?
C20 C19 C25 120.0(3) . . ?
C21 C20 C19 120.1(3) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
C22 C21 C20 120.3(4) . . ?
C22 C21 H21A 119.9 . . ?
C20 C21 H21A 119.9 . . ?
C21 C22 C23 120.3(4) . . ?
C21 C22 H22A 119.8 . . ?
C23 C22 H22A 119.8 . . ?
C24 C23 C22 119.6(3) . . ?
C24 C23 H23A 120.2 . . ?
C22 C23 H23A 120.2 . . ?
C23 C24 C19 120.5(3) . . ?
C23 C24 H24A 119.8 . . ?
C19 C24 H24A 119.8 . . ?
N23 C25 N22 125.5(3) . . ?
N23 C25 C19 117.7(3) . . ?
N22 C25 C19 116.8(3) . . ?
N24 C26 N22 117.2(3) . . ?
N24 C26 N21 119.0(3) . . ?
N22 C26 N21 123.7(3) . . ?
C12 C11 C10 119.7(4) . . ?
C12 C11 H11A 120.2 . . ?
C10 C11 H11A 120.2 . . ?
N21 C27 N25 118.0(3) . . ?
N21 C27 N23 125.3(3) . . ?
N25 C27 N23 116.7(3) . . ?
O3 C28 O4 125.7(3) . . ?
O3 C28 C29 119.3(3) . . ?
O4 C28 C29 114.9(3) . . ?
C30 C29 C28 126.7(3) . . ?
C30 C29 H29A 116.6 . . ?
C28 C29 H29A 116.6 . . ?
C29 C30 C31 126.7(3) . . ?
C29 C30 H30A 116.6 . . ?
C31 C30 H30A 116.6 . . ?
O2 C31 O1 122.2(3) . . ?
O2 C31 C30 117.4(3) . . ?
O1 C31 C30 120.4(3) . . ?
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 N21 2.333(3) . y
Ag1 O4 2.346(3) 2_656 y
Ag1 N1 2.378(3) . y
Ag1 O2 2.490(3) . y
Ag1 O1 2.664(3) . y
Ag1 Ag2 3.6716(11) . ?
Ag2 N6 2.153(3) . y
Ag2 O1 2.186(3) 2_656 y
Ag2 O1 2.544(3) . y
O1 C31 1.269(4) . ?
O1 Ag2 2.186(3) 2_656 ?
O2 C31 1.248(4) . ?
O3 C28 1.248(4) . ?
O4 C28 1.260(5) . ?
O4 Ag1 2.346(3) 2_656 ?
N1 C8 1.354(4) . ?
N1 C9 1.357(5) . ?
N2 C7 1.324(5) . ?
N2 C8 1.350(5) . ?
N3 C7 1.334(5) . ?
N3 C9 1.349(5) . ?
N4 C8 1.326(4) . ?
N4 H4B 0.8800 . ?
N4 H4C 0.8800 . ?
N5 C9 1.330(5) . ?
N5 H5B 0.8800 . ?
N5 H5C 0.8800 . ?
N6 C18 1.353(5) . ?
N6 C16 1.355(5) . ?
N7 C17 1.346(5) . ?
N7 C16 1.353(5) . ?
N8 C18 1.337(5) . ?
N8 C17 1.336(5) . ?
N9 C18 1.338(5) . ?
N9 H9A 0.8800 . ?
N9 H9B 0.8800 . ?
N10 C16 1.336(5) . ?
N10 H10A 0.8800 . ?
N10 H10B 0.8800 . ?
N21 C27 1.327(5) . ?
N21 C26 1.362(4) . ?
N22 C25 1.344(5) . ?
N22 C26 1.348(5) . ?
N23 C25 1.337(4) . ?
N23 C27 1.357(5) . ?
N24 C26 1.311(5) . ?
N24 H24B 0.8800 . ?
N24 H24C 0.8800 . ?
N25 C27 1.341(5) . ?
N25 H25A 0.8800 . ?
N25 H25B 0.8800 . ?
C1 C2 1.387(6) . ?
C1 C6 1.388(6) . ?
C1 C7 1.481(5) . ?
C2 C3 1.378(7) . ?
C2 H2A 0.9500 . ?
C3 C4 1.381(9) . ?
C3 H3A 0.9500 . ?
C4 C5 1.379(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.391(7) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C10 C15 1.396(5) . ?
C10 C11 1.405(5) . ?
C10 C17 1.486(5) . ?
C12 C13 1.373(6) . ?
C12 C11 1.390(6) . ?
C12 H12A 0.9500 . ?
C13 C14 1.391(6) . ?
C13 H13A 0.9500 . ?
C14 C15 1.386(6) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C19 C24 1.397(5) . ?
C19 C20 1.402(5) . ?
C19 C25 1.482(5) . ?
C20 C21 1.381(5) . ?
C20 H20A 0.9500 . ?
C21 C22 1.388(5) . ?
C21 H21A 0.9500 . ?
C22 C23 1.389(6) . ?
C22 H22A 0.9500 . ?
C23 C24 1.389(5) . ?
C23 H23A 0.9500 . ?
C24 H24A 0.9500 . ?
C11 H11A 0.9500 . ?
C28 C29 1.490(5) . ?
C29 C30 1.323(5) . ?
C29 H29A 0.9500 . ?
C30 C31 1.477(5) . ?
C30 H30A 0.9500 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
N4 H4B N22 0.88 2.32 3.181(4) 165.3 2_655
N4 H4C O2 0.88 2.03 2.874(4) 161.0 .
N5 H5B N7 0.88 2.50 3.367(5) 169.5 2_766
N5 H5C O4 0.88 2.23 3.077(4) 160.6 2_656
N9 H9B O3 0.88 2.40 3.225(5) 156.3 .
N10 H10B N3 0.88 2.23 3.089(4) 166.1 2_766
N24 H24B N2 0.88 2.19 3.067(5) 171.3 2_655
N24 H24C O2 0.88 2.04 2.903(4) 167.3 .
N25 H25A O4 0.88 2.63 3.461(4) 158.3 2_656
N25 H25A O3 0.88 2.63 3.434(5) 151.5 2_656
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
N21 Ag1 Ag2 N6 -169.6(2) . .
O4 Ag1 Ag2 N6 101.81(12) 2_656 .
N1 Ag1 Ag2 N6 7.81(10) . .
O2 Ag1 Ag2 N6 -92.40(11) . .
O1 Ag1 Ag2 N6 -133.24(11) . .
N21 Ag1 Ag2 O1 25.4(2) . 2_656
O4 Ag1 Ag2 O1 -63.14(11) 2_656 2_656
N1 Ag1 Ag2 O1 -157.14(10) . 2_656
O2 Ag1 Ag2 O1 102.65(9) . 2_656
O1 Ag1 Ag2 O1 61.81(12) . 2_656
N21 Ag1 Ag2 O1 -36.4(2) . .
O4 Ag1 Ag2 O1 -124.94(12) 2_656 .
N1 Ag1 Ag2 O1 141.05(10) . .
O2 Ag1 Ag2 O1 40.84(10) . .
N6 Ag2 O1 C31 -38.8(3) . .
O1 Ag2 O1 C31 154.0(3) 2_656 .
Ag1 Ag2 O1 C31 -88.9(3) . .
N6 Ag2 O1 Ag2 167.24(11) . 2_656
O1 Ag2 O1 Ag2 0.0 2_656 2_656
Ag1 Ag2 O1 Ag2 117.18(12) . 2_656
N6 Ag2 O1 Ag1 50.06(11) . .
O1 Ag2 O1 Ag1 -117.18(12) 2_656 .
N21 Ag1 O1 C31 -69.1(2) . .
O4 Ag1 O1 C31 168.2(2) 2_656 .
N1 Ag1 O1 C31 75.4(2) . .
O2 Ag1 O1 C31 1.46(19) . .
Ag2 Ag1 O1 C31 124.8(2) . .
N21 Ag1 O1 Ag2 62.18(14) . 2_656
O4 Ag1 O1 Ag2 -60.52(13) 2_656 2_656
N1 Ag1 O1 Ag2 -153.34(11) . 2_656
O2 Ag1 O1 Ag2 132.74(16) . 2_656
Ag2 Ag1 O1 Ag2 -103.96(13) . 2_656
N21 Ag1 O1 Ag2 166.14(8) . .
O4 Ag1 O1 Ag2 43.44(10) 2_656 .
N1 Ag1 O1 Ag2 -49.38(12) . .
O2 Ag1 O1 Ag2 -123.30(13) . .
N21 Ag1 O2 C31 122.2(2) . .
O4 Ag1 O2 C31 -20.5(3) 2_656 .
N1 Ag1 O2 C31 -127.5(2) . .
O1 Ag1 O2 C31 -1.49(19) . .
Ag2 Ag1 O2 C31 -37.4(2) . .
N21 Ag1 N1 C8 83.5(3) . .
O4 Ag1 N1 C8 -152.4(3) 2_656 .
O2 Ag1 N1 C8 -14.9(3) . .
O1 Ag1 N1 C8 -63.8(3) . .
Ag2 Ag1 N1 C8 -95.6(2) . .
N21 Ag1 N1 C9 -76.4(3) . .
O4 Ag1 N1 C9 47.7(3) 2_656 .
O2 Ag1 N1 C9 -174.8(3) . .
O1 Ag1 N1 C9 136.3(2) . .
Ag2 Ag1 N1 C9 104.6(3) . .
O1 Ag2 N6 C18 -175.5(3) 2_656 .
O1 Ag2 N6 C18 61.9(3) . .
Ag1 Ag2 N6 C18 96.4(3) . .
O1 Ag2 N6 C16 3.6(6) 2_656 .
O1 Ag2 N6 C16 -119.0(3) . .
Ag1 Ag2 N6 C16 -84.6(3) . .
O4 Ag1 N21 C27 -22.0(3) 2_656 .
N1 Ag1 N21 C27 85.1(3) . .
O2 Ag1 N21 C27 -172.4(3) . .
O1 Ag1 N21 C27 -125.5(2) . .
Ag2 Ag1 N21 C27 -97.6(3) . .
O4 Ag1 N21 C26 177.2(3) 2_656 .
N1 Ag1 N21 C26 -75.8(3) . .
O2 Ag1 N21 C26 26.8(3) . .
O1 Ag1 N21 C26 73.7(3) . .
Ag2 Ag1 N21 C26 101.5(3) . .
C6 C1 C2 C3 -2.2(6) . .
C7 C1 C2 C3 172.8(4) . .
C1 C2 C3 C4 1.3(7) . .
C2 C3 C4 C5 1.1(7) . .
C3 C4 C5 C6 -2.6(8) . .
C4 C5 C6 C1 1.6(7) . .
C2 C1 C6 C5 0.7(6) . .
C7 C1 C6 C5 -174.3(4) . .
C8 N2 C7 N3 -2.8(5) . .
C8 N2 C7 C1 175.1(3) . .
C9 N3 C7 N2 2.8(5) . .
C9 N3 C7 C1 -174.9(3) . .
C2 C1 C7 N2 -137.2(4) . .
C6 C1 C7 N2 37.9(5) . .
C2 C1 C7 N3 40.8(5) . .
C6 C1 C7 N3 -144.1(4) . .
C7 N2 C8 N4 -178.7(3) . .
C7 N2 C8 N1 0.1(5) . .
C9 N1 C8 N4 -179.2(3) . .
Ag1 N1 C8 N4 19.3(4) . .
C9 N1 C8 N2 2.0(5) . .
Ag1 N1 C8 N2 -159.5(3) . .
C7 N3 C9 N5 179.0(3) . .
C7 N3 C9 N1 -0.3(5) . .
C8 N1 C9 N5 178.8(3) . .
Ag1 N1 C9 N5 -20.5(4) . .
C8 N1 C9 N3 -1.9(5) . .
Ag1 N1 C9 N3 158.9(3) . .
C11 C12 C13 C14 -0.3(7) . .
C12 C13 C14 C15 0.0(7) . .
C13 C14 C15 C10 -0.3(7) . .
C11 C10 C15 C14 0.9(6) . .
C17 C10 C15 C14 179.7(4) . .
C18 N6 C16 N10 -179.2(3) . .
Ag2 N6 C16 N10 1.7(5) . .
C18 N6 C16 N7 1.2(5) . .
Ag2 N6 C16 N7 -177.9(2) . .
C17 N7 C16 N10 -179.1(3) . .
C17 N7 C16 N6 0.5(5) . .
C16 N7 C17 N8 -1.9(5) . .
C16 N7 C17 C10 178.6(3) . .
C18 N8 C17 N7 1.4(5) . .
C18 N8 C17 C10 -179.1(3) . .
C15 C10 C17 N7 179.3(3) . .
C11 C10 C17 N7 -1.9(5) . .
C15 C10 C17 N8 -0.2(5) . .
C11 C10 C17 N8 178.6(3) . .
C17 N8 C18 N9 -178.4(3) . .
C17 N8 C18 N6 0.6(5) . .
C16 N6 C18 N8 -1.8(5) . .
Ag2 N6 C18 N8 177.3(3) . .
C16 N6 C18 N9 177.3(3) . .
Ag2 N6 C18 N9 -3.6(4) . .
C24 C19 C20 C21 0.6(5) . .
C25 C19 C20 C21 -179.8(3) . .
C19 C20 C21 C22 -0.2(6) . .
C20 C21 C22 C23 -0.8(6) . .
C21 C22 C23 C24 1.4(6) . .
C22 C23 C24 C19 -1.0(6) . .
C20 C19 C24 C23 0.0(5) . .
C25 C19 C24 C23 -179.5(3) . .
C27 N23 C25 N22 -1.9(5) . .
C27 N23 C25 C19 178.7(3) . .
C26 N22 C25 N23 2.7(5) . .
C26 N22 C25 C19 -178.0(3) . .
C24 C19 C25 N23 170.8(3) . .
C20 C19 C25 N23 -8.8(5) . .
C24 C19 C25 N22 -8.6(5) . .
C20 C19 C25 N22 171.9(3) . .
C25 N22 C26 N24 -179.0(3) . .
C25 N22 C26 N21 1.7(5) . .
C27 N21 C26 N24 174.4(3) . .
Ag1 N21 C26 N24 -24.6(5) . .
C27 N21 C26 N22 -6.3(5) . .
Ag1 N21 C26 N22 154.8(3) . .
C13 C12 C11 C10 1.0(6) . .
C15 C10 C11 C12 -1.3(6) . .
C17 C10 C11 C12 179.9(4) . .
C26 N21 C27 N25 -172.7(3) . .
Ag1 N21 C27 N25 24.5(4) . .
C26 N21 C27 N23 7.3(5) . .
Ag1 N21 C27 N23 -155.5(3) . .
C25 N23 C27 N21 -3.4(5) . .
C25 N23 C27 N25 176.5(3) . .
Ag1 O4 C28 O3 -17.9(5) 2_656 .
Ag1 O4 C28 C29 165.4(2) 2_656 .
O3 C28 C29 C30 72.9(5) . .
O4 C28 C29 C30 -110.1(5) . .
C28 C29 C30 C31 -2.1(7) . .
Ag1 O2 C31 O1 2.9(4) . .
Ag1 O2 C31 C30 -178.4(3) . .
Ag2 O1 C31 O2 -125.8(3) 2_656 .
Ag2 O1 C31 O2 86.4(4) . .
Ag1 O1 C31 O2 -2.6(3) . .
Ag2 O1 C31 C30 55.5(4) 2_656 .
Ag2 O1 C31 C30 -92.3(4) . .
Ag1 O1 C31 C30 178.7(3) . .
C29 C30 C31 O2 -154.9(4) . .
C29 C30 C31 O1 23.9(6) . .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139144556
