Poly[bis(μ~3~-5'-carboxy-2,2'-bipyridine-5-carboxylato-κ^4^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')lead(II)]
Xie, Cheng-Zhi; Qiao, Xin; Xue, Fei; Xu, Jing-Yuan; Acta Crystallographica Section C 65 (2009) m491–m493; doi:10.1107/S0108270109047015

data_2017458
_publ_section_title
Poly[bis(\m~3~-5'-carboxy-2,2'-bipyridine-5-carboxylato-\k^4^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')lead(II)]
_journal_coeditor_code           SQ3226
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m491
_journal_page_last               m493
_journal_paper_doi               10.1107/S0108270109047015
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pb (C12 H7 N2 O4)2]'
_chemical_formula_moiety         'C24 H14 N4 O8 Pb'
_chemical_formula_sum            'C24 H14 N4 O8 Pb'
_chemical_formula_weight         693.58
_chemical_name_systematic
;
Poly[bis(\m~3~-5'-carboxy-2,2'-bipyridine-5-carboxylato-
\k^4^<i>O</i>:<i>N</i>,<i>N</i>':<i>O</i>')lead(II)]
;
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 115.4470(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.1836(17)
_cell_length_b                   11.3719(13)
_cell_length_c                   13.5342(16)
_cell_measurement_reflns_used    5931
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      28.22
_cell_measurement_theta_min      2.33
_cell_volume                     2110.2(4)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics
'SHELXTL (Sheldrick, 2008) and DIAMOND (Brandenburg & Berndt, 2005)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0238
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7034
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.33
_exptl_absorpt_coefficient_mu    8.061
_exptl_absorpt_correction_T_max  0.5649
_exptl_absorpt_correction_T_min  0.2955
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    2.183
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1328
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.961
_refine_diff_density_min         -1.435
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.094
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     169
_refine_ls_number_reflns         1977
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.094
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0200
_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^)+(0.0284P)^2^+3.5386P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0488
_refine_ls_wR_factor_ref         0.0492
_reflns_number_gt                1909
_reflns_number_total             1977
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sq3226.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -C2yc
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2017458
_cod_database_fobs_code          2017458