<i>catena</i>-Poly[[(μ-3-hydroxybenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)(μ-3-hydroxybenzoato-κ^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^)(isonicotinamide-κ<i>N</i>^1^)lead(II)] monohydrate]
Zaman, Ibrahim Göker; Çaylak Delibaş, Nagihan; Necefoğlu, Hacali; Hökelek, Tuncer; Acta Crystallographica Section E 68 (2012) m257–m258; doi:10.1107/S1600536812004357

data_2234049
_publ_section_title
;
 <i>catena</i>-Poly[[(\m-3-hydroxybenzoato-\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)(\m-3-hydroxybenzoato-\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^)(isonicotinamide-\k<i>N</i>^1^)lead(II)]
 monohydrate]
;
_journal_coeditor_code           XU5463
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m257
_journal_page_last               m258
_journal_paper_doi               10.1107/S1600536812004357
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Pb (C7 H5 O3)2 (C6 H6 N2 O)], H2 O'
_chemical_formula_moiety         'C20 H16 N2 O7 Pb, H2 O'
_chemical_formula_sum            'C20 H18 N2 O8 Pb'
_chemical_formula_weight         621.56
_chemical_name_systematic
;
<i>catena</i>-Poly[[(\m-3-hydroxybenzoato-
\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^)(\m-3-hydroxybenzoato-
\k^3^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^1^)(isonicotinamide-
\k<i>N</i>^1^)lead(II)] monohydrate]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                67.165(2)
_cell_angle_beta                 74.192(3)
_cell_angle_gamma                88.921(3)
_cell_formula_units_Z            2
_cell_length_a                   7.3626(2)
_cell_length_b                   12.1382(3)
_cell_length_c                   12.1789(3)
_cell_measurement_reflns_used    9959
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.49
_cell_measurement_theta_min      2.89
_cell_volume                     960.53(5)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material
'WinGX (Farrugia, 1999) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker Kappa APEXII CCD area-detector'
_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  0.0323
_diffrn_reflns_av_sigmaI/netI    0.0279
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            17040
_diffrn_reflns_theta_full        28.49
_diffrn_reflns_theta_max         28.49
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    8.837
_exptl_absorpt_correction_T_max  0.6028
_exptl_absorpt_correction_T_min  0.3952
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.149
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             596
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.936
_refine_diff_density_min         -1.270
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     304
_refine_ls_number_reflns         4783
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.0179
_refine_ls_R_factor_gt           0.0170
_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^)+(0.0228P)^2^+0.6812P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0497
_refine_ls_wR_factor_ref         0.0500
_reflns_number_gt                4652
_reflns_number_total             4783
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5463.cif
_cod_data_source_block           I
_cod_database_code               2234049
_cod_database_fobs_code          2234049