Poly[bis(μ~2~-3,5-diaminobenzoato)-κ^3^<i>N</i>:<i>O</i>,<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-lead(II)]
An-Zhi Tan; You-Huan Wei; Fu-Pei Liang; Zi-Lu Chen; Rui-Xiang Hu; Acta Crystallographica Section E 62 (2006) m1434–m1436; doi:10.1107/S160053680601885X

data_2209073
_publ_section_title
Poly[bis(\m~2~-3,5-diaminobenzoato)-\k^3^<i>N</i>:<i>O</i>,<i>O</i>';\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-lead(II)]
_journal_coeditor_code           BD2003
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1434
_journal_page_last               m1436
_journal_paper_doi               10.1107/S160053680601885X
_journal_volume                  62
_journal_year                    2006
_chemical_formula_iupac          '[Pb (C7 H7 N2 O2)2]'
_chemical_formula_moiety         'C14 H14 N4 O4 Pb'
_chemical_formula_sum            'C14 H14 N4 O4 Pb'
_chemical_formula_weight         509.48
_chemical_name_systematic
;
Poly[bis(\m~2~-3,5-diaminobenzoato)-\k^3^N:O,O';\k^3^O:O,O')lead(II)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 102.227(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.7573(12)
_cell_length_b                   11.9212(16)
_cell_length_c                   14.758(2)
_cell_measurement_reflns_used    3510
_cell_measurement_temperature    294(2)
_cell_measurement_theta_max      26.28
_cell_measurement_theta_min      2.93
_cell_volume                     1505.7(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      294(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0685
_diffrn_reflns_av_sigmaI/netI    0.0645
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            8313
_diffrn_reflns_theta_full        26.33
_diffrn_reflns_theta_max         26.33
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    11.231
_exptl_absorpt_correction_T_max  0.3459
_exptl_absorpt_correction_T_min  0.2370
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             960
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.712
_refine_diff_density_min         -2.436
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.988
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3059
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0507
_refine_ls_R_factor_gt           0.0364
_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^)+(0.0433P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0789
_refine_ls_wR_factor_ref         0.0855
_reflns_number_gt                2440
_reflns_number_total             3059
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bd2003.cif
_cod_data_source_block           I
_cod_original_cell_volume        1505.8(4)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2209073
_cod_database_fobs_code          2209073