2-(2-Pyridyl)pyridinium (2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')bismuthate(III)
Meng, Zhao-Hui; Zhang, Shu-Shen; Acta Crystallographica Section E 67 (2011) m1402–m1403; doi:10.1107/S160053681103769X

data_2232121
_publ_section_title
;
 2-(2-Pyridyl)pyridinium
 (2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')tetrakis(nitrato-\k^2^<i>O</i>,<i>O</i>')bismuthate(III)
;
_journal_coeditor_code           YK2019
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1402
_journal_page_last               m1403
_journal_paper_doi               10.1107/S160053681103769X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '(C10 H9 N2) [Bi (N O3)4 (C10 H8 N2)]'
_chemical_formula_moiety         'C10 H9 N2 +, C10 H8 Bi N6 O12 -'
_chemical_formula_sum            'C20 H17 Bi N8 O12'
_chemical_formula_weight         770.40
_chemical_name_systematic
;
2-(2-Pyridyl)pyridinium
(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')tetrakis(nitrato-
\k^2^<i>O</i>,<i>O</i>')bismuthate(III)
;
_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                 97.275(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.711(5)
_cell_length_b                   10.169(3)
_cell_length_c                   16.832(5)
_cell_measurement_reflns_used    2470
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.46
_cell_measurement_theta_min      2.44
_cell_volume                     2497.7(13)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Bruker, 2008)'
_computing_publication_material  'SHELXTL (Bruker, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0359
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            5998
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.44
_exptl_absorpt_coefficient_mu    7.140
_exptl_absorpt_correction_T_max  0.3597
_exptl_absorpt_correction_T_min  0.2582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2008)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.049
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1488
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.133
_refine_diff_density_min         -1.426
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     194
_refine_ls_number_reflns         2224
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0353
_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^)+(0.0459P)^2^+9.2649P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0809
_refine_ls_wR_factor_ref         0.0841
_reflns_number_gt                1895
_reflns_number_total             2224
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            yk2019.cif
_cod_data_source_block           global
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2232121