(1<i>H</i>-Benzimidazole-5-carboxylic acid-κ<i>N</i>^3^)(1<i>H</i>-benzimidazole-6-carboxylic acid-κ<i>N</i>^3^)silver(I) perchlorate
Ma, Li; Huang, Yu-Hua; Xu, Jian-Feng; Deng, Hong; Acta Crystallographica Section E 67 (2011) m494–m495; doi:10.1107/S1600536811010427

data_2229894
_publ_section_title
;
 (1<i>H</i>-Benzimidazole-5-carboxylic
 acid-\k<i>N</i>^3^)(1<i>H</i>-benzimidazole-6-carboxylic
 acid-\k<i>N</i>^3^)silver(I) perchlorate
;
_journal_coeditor_code           ZL2355
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m494
_journal_page_last               m495
_journal_paper_doi               10.1107/S1600536811010427
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ag (C8 H6 N2 O2)2] Cl O4'
_chemical_formula_moiety         'C16 H12 Ag N4 O4 +, Cl O4 -'
_chemical_formula_sum            'C16 H12 Ag Cl N4 O8'
_chemical_formula_weight         531.62
_chemical_name_systematic
;
(1<i>H</i>-Benzimidazole-5-carboxylic acid-\k<i>N</i>^3^)(1<i>H</i>-
benzimidazole-6-carboxylic acid-\k<i>N</i>^3^)silver(I) perchlorate
;
_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                78.566(5)
_cell_angle_beta                 89.111(5)
_cell_angle_gamma                82.554(5)
_cell_formula_units_Z            2
_cell_length_a                   4.933(2)
_cell_length_b                   13.330(5)
_cell_length_c                   14.498(6)
_cell_measurement_reflns_used    3317
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.18
_cell_measurement_theta_min      1.57
_cell_volume                     926.5(6)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measurement_device_type  'Bruker SMART APEX CCD'
_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  0.0166
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            4604
_diffrn_reflns_theta_full        25.18
_diffrn_reflns_theta_max         25.18
_diffrn_reflns_theta_min         1.57
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.288
_exptl_absorpt_correction_T_max  0.774
_exptl_absorpt_correction_T_min  0.746
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.906
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             528.0
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.617
_refine_diff_density_min         -0.703
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         3247
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0530
_refine_ls_R_factor_gt           0.0396
_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^)+(0.0581P)^2^+0.3563P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.1025
_reflns_number_gt                2630
_reflns_number_total             3247
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            zl2355.cif
_cod_data_source_block           I
_cod_database_code               2229894
_cod_database_fobs_code          2229894