Poly[(μ-1<i>H</i>-benzimidazole-5,6-dicarboxylato)lead(II)]
Chen, Jinhua; Zheng, Chun; Wang, Yuezhu; Yun, Tingting; Luo, Yifan; Acta Crystallographica Section E 67 (2011) m755–; doi:10.1107/S1600536811017065

data_2230324
_publ_section_title
;
 Poly[(\m-1<i>H</i>-benzimidazole-5,6-dicarboxylato)lead(II)]
;
_journal_coeditor_code           GO2009
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m755
_journal_paper_doi               10.1107/S1600536811017065
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pb (C9 H4 N2 O4)]'
_chemical_formula_moiety         'C9 H4 N2 O4 Pb'
_chemical_formula_sum            'C9 H4 N2 O4 Pb'
_chemical_formula_weight         411.34
_chemical_name_systematic
;
Poly[(\m-1<i>H</i>-benzimidazole-5,6-dicarboxylato)lead(II)]
;
_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                 99.587(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.127(2)
_cell_length_b                   9.5571(14)
_cell_length_c                   6.7557(10)
_cell_measurement_reflns_used    2747
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.65
_cell_volume                     835.7(2)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0539
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            3954
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.65
_exptl_absorpt_coefficient_mu    20.187
_exptl_absorpt_correction_T_max  0.004
_exptl_absorpt_correction_T_min  0.003
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    3.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             744.0
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.27
_refine_diff_density_max         3.237
_refine_diff_density_min         -2.826
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     133
_refine_ls_number_reflns         1458
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.073
_refine_ls_R_factor_all          0.0451
_refine_ls_R_factor_gt           0.0415
_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^)+(0.0814P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1159
_refine_ls_wR_factor_ref         0.1195
_reflns_number_gt                1273
_reflns_number_total             1458
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            go2009.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      ' P 21/c '
_cod_original_formula_sum        'C9 H4 N2 O4 Pb '
_cod_database_code               2230324
_cod_database_fobs_code          2230324