<i>catena</i>-Poly[[bis(3-methylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Xie, Jian-Ying; Huang, Fu; Acta Crystallographica Section E 67 (2011) m1326–; doi:10.1107/S1600536811035021

data_2231921
_publ_section_title
;
 <i>catena</i>-Poly[[bis(3-methylbenzoato-\k^2^<i>O</i>,<i>O</i>')lead(II)]-\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
;
_journal_coeditor_code           HY2458
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1326
_journal_paper_doi               10.1107/S1600536811035021
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pb (C8 H7 O2)2 (C10 H8 N2)]'
_chemical_formula_moiety         'C26 H22 N2 O4 Pb'
_chemical_formula_sum            'C26 H22 N2 O4 Pb'
_chemical_formula_weight         633.65
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(3-methylbenzoato-\k^2^<i>O</i>,<i>O</i>')lead(II)]-
\m-4,4'-bipyridine-\k^2^<i>N</i>:<i>N</i>']
;
_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                 103.507(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.506(8)
_cell_length_b                   5.534(2)
_cell_length_c                   20.219(8)
_cell_measurement_reflns_used    5300
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      1.26
_cell_volume                     2231.0(15)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg, 1999)'
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0253
_diffrn_reflns_av_sigmaI/netI    0.0237
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       2
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8381
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         3.90
_exptl_absorpt_coefficient_mu    7.599
_exptl_absorpt_correction_T_max  0.215
_exptl_absorpt_correction_T_min  0.129
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.887
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1224
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.381
_refine_diff_density_min         -0.504
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     151
_refine_ls_number_reflns         2402
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.012
_refine_ls_R_factor_all          0.0206
_refine_ls_R_factor_gt           0.0169
_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^)+(0.0200P)^2^+1.2000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0401
_refine_ls_wR_factor_ref         0.0418
_reflns_number_gt                2153
_reflns_number_total             2402
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2458.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2231921
_cod_database_fobs_code          2231921