A new Ag^I^ complex based on 1-[(1<i>H</i>-benzimidazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole
Wang, Yan-zhi; Zhang, Jun; Yang, Huai-xia; Meng, Xiang-ru; Acta Crystallographica Section E 67 (2011) m1788–; doi:10.1107/S1600536811048501

data_2232978
_publ_section_title
;
 A new Ag^I^ complex based on
 1-[(1<i>H</i>-benzimidazol-1-yl)methyl]-1<i>H</i>-1,2,4-triazole
;
_journal_coeditor_code           VM2136
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1788
_journal_paper_doi               10.1107/S1600536811048501
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag2 (C10 H9 N5)2] (N O3)2'
_chemical_formula_moiety         'C20 H18 Ag2 N10 2+, 2(N O3 -)'
_chemical_formula_sum            'C20 H18 Ag2 N12 O6'
_chemical_formula_weight         738.20
_chemical_name_systematic
;
bis{\m-1-[(1<i>H</i>-benzimidazol-1-yl)methyl]-1<i>H</i>-1,2,4-
triazole}disilver(I) dinitrate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 114.56(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.4947(19)
_cell_length_b                   13.569(3)
_cell_length_c                   10.174(2)
_cell_measurement_reflns_used    3140
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.8644
_cell_measurement_theta_min      2.3584
_cell_volume                     1192.2(5)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2006)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_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  0.0337
_diffrn_reflns_av_sigmaI/netI    0.0284
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            9572
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.36
_exptl_absorpt_coefficient_mu    1.710
_exptl_absorpt_correction_T_max  0.7958
_exptl_absorpt_correction_T_min  0.7371
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrystalClear; Rigaku/MSC, 2006)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.057
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             728
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.699
_refine_diff_density_min         -0.278
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     181
_refine_ls_number_reflns         2158
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.086
_refine_ls_R_factor_all          0.0490
_refine_ls_R_factor_gt           0.0425
_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/[\s^2^(Fo^2^)+(0.0419P)^2^+1.7006P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0911
_refine_ls_wR_factor_ref         0.0950
_reflns_number_gt                1952
_reflns_number_total             2158
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            vm2136.cif
_cod_data_source_block           I
_cod_original_cell_volume        1192.1(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2232978
_cod_database_fobs_code          2232978