Bis[2-(1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)-1<i>H</i>-imidazol-3-ium]silver(I) trinitrate
Finch, Shelonda R.; Harper, Johnathan P.; Choudhury, Amitava; Sinn, Ekkehard; Collier, Harvest L.; Acta Crystallographica Section E 67 (2011) m909–; doi:10.1107/S1600536811021799

data_2230802
_publ_section_title
;
 Bis[2-(1<i>H</i>-imidazol-2-yl-\k<i>N</i>^3^)-1<i>H</i>-imidazol-3-ium]silver(I)
 trinitrate
;
_journal_coeditor_code           MW2006
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m909
_journal_paper_doi               10.1107/S1600536811021799
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C6 H7 N4)2](N O3)3'
_chemical_formula_moiety         'C12 H14 Ag N8, 3(N O3)'
_chemical_formula_sum            'C12 H14 Ag N11 O9'
_chemical_formula_weight         564.21
_chemical_name_systematic
;
Bis[2-(1<i>H</i>-imidazol-2-yl-\k<i>N</i>^3^)-1<i>H</i>-imidazol-3-ium]silver(I)
trinitrate
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 91.319(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.095(6)
_cell_length_b                   12.037(3)
_cell_length_c                   6.8262(18)
_cell_measurement_reflns_used    2422
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      23.99
_cell_measurement_theta_min      3.05
_cell_volume                     1979.3(9)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_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      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area-detector'
_diffrn_measurement_method       '\w scans'
_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  0.0647
_diffrn_reflns_av_sigmaI/netI    0.0541
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -8
_diffrn_reflns_number            9412
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    1.094
_exptl_absorpt_correction_T_max  0.8108
_exptl_absorpt_correction_T_min  0.7349
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            'colourless '
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             1128
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.458
_refine_diff_density_min         -0.342
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.985
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2275
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0637
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0505P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0954
_refine_ls_wR_factor_ref         0.1036
_reflns_number_gt                1723
_reflns_number_total             2275
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            mw2006.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2230802
_cod_database_fobs_code          2230802