Poly[bis[μ~2~-3-(pyridin-4-yl)benzoato-κ^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]
Guo, Yi-Ping; Wang, Hui; Li, Guo-Ting; Acta Crystallographica Section C 69 (2013) 872–875; doi:10.1107/S0108270113019045

data_2019078
_publ_section_title
;
 Poly[bis[\m~2~-3-(pyridin-4-yl)benzoato-\k^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]
;
_journal_coeditor_code           FA3319
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              872
_journal_page_last               875
_journal_paper_doi               10.1107/S0108270113019045
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Pb (C12 H8 N O2)2]'
_chemical_formula_moiety         'C24 H16 N2 O4 Pb'
_chemical_formula_sum            'C24 H16 N2 O4 Pb'
_chemical_formula_weight         603.58
_chemical_name_systematic
Poly[bis[\m~2~-3-(pyridin-4-yl)benzoato-\k^3^<i>N</i>:<i>O</i>,<i>O</i>']lead(II)]
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 104.795(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   15.9945(7)
_cell_length_b                   6.7767(3)
_cell_length_c                   9.5020(4)
_cell_measurement_reflns_used    2390
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.98
_cell_volume                     995.77(8)
_computing_cell_refinement       'SAINT (Siemens, 1994)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1994)'
_computing_molecular_graphics    'SHELXTL (Siemens, 1994)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       '\w scan'
_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  0.0412
_diffrn_reflns_av_sigmaI/netI    0.0691
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            3618
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    8.507
_exptl_absorpt_correction_T_max  0.612
_exptl_absorpt_correction_T_min  0.350
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.013
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.412
_exptl_crystal_size_mid          0.096
_exptl_crystal_size_min          0.065
_refine_diff_density_max         0.983
_refine_diff_density_min         -1.925
_refine_ls_abs_structure_details
;
Flack (1983), <b>???? Friedel pairs</b>
;
_refine_ls_abs_structure_Flack   0.015(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     141
_refine_ls_number_reflns         1676
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0315
_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^)+(0.0097P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0746
_refine_ls_wR_factor_ref         0.0747
_reflns_number_gt                1668
_reflns_number_total             1676
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            fa3319.cif
_cod_data_source_block           I
_cod_original_cell_volume        995.77(7)
_cod_original_sg_symbol_H-M      C2
_cod_database_code               2019078
_cod_database_fobs_code          2019078