A one-dimensional mixed-anion lead(II) coordination polymer: <i>catena</i>-poly[[(1,10-phenanthroline)lead(II)]-μ-benzoato-μ-nitrato-[(1,10-phenanthroline)lead(II)]-di-μ-benzoato]
Zhu, Long-Guan; Acta Crystallographica Section C 62 (2006) m428–m430; doi:10.1107/S0108270106030198

data_2015536
_publ_section_title
;A one-dimensional mixed-anion lead(II) coordination polymer:
 <i>catena</i>-poly[[(1,10-phenanthroline)lead(II)]-\m-benzoato-\m-nitrato-[(1,10-phenanthroline)lead(II)]-di-\m-benzoato]
;
_journal_coeditor_code           BG3015
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m428
_journal_page_last               m430
_journal_paper_doi               10.1107/S0108270106030198
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pb2 (C7 H5 O2)3 (N O3) (C12 H8 N2)2]'
_chemical_formula_moiety         'C45 H31 N5 O9 Pb2'
_chemical_formula_sum            'C45 H31 N5 O9 Pb2'
_chemical_formula_weight         1200.13
_chemical_name_systematic
;
catena-poly[[(1,10-phenanthroline)lead(II)]-\m-nitrato-\m-benzoato-
[(1,10-phenanthroline)lead(II)]-di-\m-benzoato]
;
_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                 101.1670(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.2481(10)
_cell_length_b                   20.6393(12)
_cell_length_c                   11.5549(6)
_cell_measurement_reflns_used    4675
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25.03
_cell_measurement_theta_min      2.19
_cell_volume                     4035.5(4)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX 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  0.0309
_diffrn_reflns_av_sigmaI/netI    0.0434
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            20990
_diffrn_reflns_theta_full        25.10
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         1.20
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.398
_exptl_absorpt_correction_T_max  0.521
_exptl_absorpt_correction_T_min  0.417
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    1.975
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2288
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.234
_refine_diff_density_min         -0.753
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     550
_refine_ls_number_reflns         7182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.0370
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0391P)^2^+4.7224P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0832
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                5090
_reflns_number_total             7182
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bg3015.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2015536
_cod_database_fobs_code          2015536