<i>catena</i>-Poly[[(1,10-phenanthroline)lead(II)]bis(μ-5-chloro-2-hydroxybenzoato)]
Yang, Lei; Li, Bing; Xue, Qing; Huo, Yu; Wang, Gaopeng; Acta Crystallographica Section E 66 (2010) m987–; doi:10.1107/S1600536810023561

data_2226764
_publ_section_title
;
 <i>catena</i>-Poly[[(1,10-phenanthroline)lead(II)]bis(\m-5-chloro-2-hydroxybenzoato)]
;
_journal_coeditor_code           BH2289
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m987
_journal_paper_doi               10.1107/S1600536810023561
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb (C7 H4 Cl O3)2 (C12 H8 N2)]'
_chemical_formula_moiety         'C26 H16 Cl2 N2 O6 Pb'
_chemical_formula_sum            'C26 H16 Cl2 N2 O6 Pb'
_chemical_formula_weight         730.51
_chemical_name_systematic
;
<i>catena</i>-Poly[[(1,10-phenanthroline)lead(II)]bis(\m-5-chloro-
2-hydroxybenzoato)]
;
_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                75.5080(10)
_cell_angle_beta                 86.3020(10)
_cell_angle_gamma                68.3420(10)
_cell_formula_units_Z            2
_cell_length_a                   8.91000(10)
_cell_length_b                   11.29590(10)
_cell_length_c                   13.58160(10)
_cell_measurement_reflns_used    5987
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.91
_cell_measurement_theta_min      2.81
_cell_volume                     1229.43(2)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'APEX2 (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXS97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_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  0.0293
_diffrn_reflns_av_sigmaI/netI    0.0289
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21579
_diffrn_reflns_theta_full        28.16
_diffrn_reflns_theta_max         28.16
_diffrn_reflns_theta_min         2.00
_exptl_absorpt_coefficient_mu    7.125
_exptl_absorpt_correction_T_max  0.181
_exptl_absorpt_correction_T_min  0.156
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.973
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             700
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_refine_diff_density_max         1.182
_refine_diff_density_min         -0.594
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5987
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0251
_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^)+(0.0349P)^2^+0.4720P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0613
_refine_ls_wR_factor_ref         0.0635
_reflns_number_gt                5339
_reflns_number_total             5987
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bh2289.cif
_cod_data_source_block           I
_cod_database_code               2226764
_cod_database_fobs_code          2226764