<i>catena</i>-Poly[[[bis(4-ethylbenzoato-κ^2^<i>O</i>,<i>O</i>')lead(II)]-μ-nicotinamide-κ^2^<i>N</i>^1^:<i>O</i>] monohydrate]
Hökelek, Tuncer; Tercan, Barış; Şahin, Ertan; Aktaş, Vedat; Necefoğlu, Hacali; Acta Crystallographica Section E 67 (2011) m1057–m1058; doi:10.1107/S1600536811026535

data_2231356
_publ_section_title
;
 <i>catena</i>-Poly[[[bis(4-ethylbenzoato-\k^2^<i>O</i>,<i>O</i>')lead(II)]-\m-nicotinamide-\k^2^<i>N</i>^1^:<i>O</i>]
 monohydrate]
;
_journal_coeditor_code           XU5254
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1057
_journal_page_last               m1058
_journal_paper_doi               10.1107/S1600536811026535
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pb (C9 H9 O2)2 (C6 H6 N2 O)], H2 O'
_chemical_formula_moiety         'C24 H24 N2 O5 Pb, H2 O'
_chemical_formula_sum            'C24 H26 N2 O6 Pb'
_chemical_formula_weight         645.67
_chemical_name_systematic
;
<i>catena</i>-Poly[[[bis(4-ethylbenzoato-\k^2^<i>O</i>,<i>O</i>')lead(II)]-
\m-nicotinamide-\k^2^<i>N</i>^1^:<i>O</i>] 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                90.772(2)
_cell_angle_beta                 91.256(2)
_cell_angle_gamma                106.916(4)
_cell_formula_units_Z            2
_cell_length_a                   7.8093(2)
_cell_length_b                   9.7950(3)
_cell_length_c                   16.9380(5)
_cell_measurement_reflns_used    6051
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.3714
_cell_measurement_theta_min      2.1736
_cell_volume                     1239.00(7)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC, 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC, 2005)'
_computing_molecular_graphics    'Mercury (Macrae <i>et al.</i>, 2006)'
_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      294(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID-S'
_diffrn_measurement_method       '\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  0.0814
_diffrn_reflns_av_sigmaI/netI    0.0582
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            26925
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    6.848
_exptl_absorpt_correction_T_max  0.358
_exptl_absorpt_correction_T_min  0.211
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(Blessing, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.731
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.110
_refine_diff_density_min         -0.964
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     314
_refine_ls_number_reflns         5076
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0425
_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^)+(0.0277P)^2^+1.8361P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0990
_reflns_number_gt                4208
_reflns_number_total             5076
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5254.cif
_cod_data_source_block           I
_cod_database_code               2231356
_cod_database_fobs_code          2231356