The crystal structure of catena-poly[(μ2-1,1′-benzene-1,4-diylbis(1H-benzimidazole-κ 2 N:N′)silver(I)] nitrate, C20H14N5AgO3
Xu, Guo-Wang; Tao, Hong-Hong; Wang, Zhong-Long; Zeitschrift für Kristallographie - New Crystal Structures 231 (2016) 307–308; doi:10.1515/ncrs-2015-0157

data_8106858
_publ_section_title
;
 The crystal structure of
 catena-poly[(\m2-1,1&#x2032;-benzene-1,4-diylbis(1H-benzimidazole-\k 2
 N:N&#x2032;)silver(I)] nitrate, C20H14N5AgO3
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              307
_journal_page_last               308
_journal_paper_doi               10.1515/ncrs-2015-0157
_journal_volume                  231
_journal_year                    2016
_chemical_formula_moiety         'C20 H14 Ag N5 O3'
_chemical_formula_sum            'C20 H14 Ag N5 O3'
_chemical_formula_weight         480.23
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 124.84(11)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.501(8)
_cell_length_b                   9.896(4)
_cell_length_c                   12.768(7)
_cell_measurement_reflns_used    2045
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      2.5
_cell_volume                     1815(3)
_computing_cell_refinement       SAINT-Plus(Bruker,2007)[8]
_computing_data_collection       SMART(Bruker,2007)[8]
_computing_data_reduction        SAINT-Plus(Bruker,2007)[8]
_computing_molecular_graphics    SHELXTL(Sheldrick,2008)[9]
_computing_publication_material  'SHELXL [9-10]'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    SHELXTL(Sheldrick,2008,2015)[9-10]
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1183
_diffrn_reflns_av_unetI/netI     0.0757
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9363
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.486
_diffrn_reflns_theta_min         2.622
_exptl_absorpt_coefficient_mu    1.145
_exptl_absorpt_correction_T_max  0.829
_exptl_absorpt_correction_T_min  0.803
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.758
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.180
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.487
_refine_diff_density_min         -0.516
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         2065
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0484
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0180P)^2^+3.3329P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1022
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                1619
_reflns_number_total             2065
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2015-0157_suppl.cif
_cod_data_source_block           I
_cod_original_cell_volume        1814.8(13)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               8106858
_shelx_estimated_absorpt_t_min   0.803
_shelx_estimated_absorpt_t_max   0.829
_shelx_res_checksum              47386
_shelx_hkl_checksum              19122