<i>catena</i>-Poly[lead(II)-bis(μ-2-amino-1,3-benzothiazole-6-carboxylato)]
Zhang, Ke-Ke; Fang, Xin; Yu, Hai-Yang; Ke, Hua; Wang, Jun-Dong; Acta Crystallographica Section E 66 (2010) m1700–m1701; doi:10.1107/S1600536810049330

data_2228207
_publ_section_title
;
 <i>catena</i>-Poly[lead(II)-bis(\m-2-amino-1,3-benzothiazole-6-carboxylato)]
;
_journal_coeditor_code           BG2378
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1700
_journal_page_last               m1701
_journal_paper_doi               10.1107/S1600536810049330
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb (C8 H5 N2 O2 S1)2]'
_chemical_formula_moiety         'C16 H10 N4 O4 Pb S2'
_chemical_formula_sum            'C16 H10 N4 O4 Pb S2'
_chemical_formula_weight         593.59
_chemical_name_systematic
;
<i>catena</i>-Poly[lead(II)-bis(\m-2-amino-1,3-benzothiazole-6-carboxylato)]
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 100.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.909(2)
_cell_length_b                   4.8271(10)
_cell_length_c                   15.980(3)
_cell_measurement_reflns_used    3030
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5904
_cell_measurement_theta_min      3.4656
_cell_volume                     828.7(3)
_computing_cell_refinement       'CrystalClear (Rigaku, 2007)'
_computing_data_collection       'CrystalClear (Rigaku, 2007)'
_computing_data_reduction        'CrystalClear (Rigaku, 2007)'
_computing_molecular_graphics    'ORTEX (McArdle, 1995)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 28.5714
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku Saturn 724 CCD area-detector'
_diffrn_measurement_method       dtprofit.ref
_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  0.0753
_diffrn_reflns_av_sigmaI/netI    0.0515
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            6088
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         3.47
_exptl_absorpt_coefficient_mu    10.466
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.3781
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(NUMABS; Higashi, 2000)'
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    2.379
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             560
_exptl_crystal_size_max          0.3900
_exptl_crystal_size_mid          0.2900
_exptl_crystal_size_min          0.1500
_refine_diff_density_max         2.131
_refine_diff_density_min         -2.563
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     123
_refine_ls_number_reflns         1890
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.106
_refine_ls_R_factor_all          0.0373
_refine_ls_R_factor_gt           0.0369
_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^)+(0.0574P)^2^+0.8091P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.0959
_reflns_number_gt                1871
_reflns_number_total             1890
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            bg2378.cif
_cod_data_source_block           I
_cod_original_cell_volume        828.6(3)
_cod_original_sg_symbol_H-M      'P 2/c'
_cod_database_code               2228207
_cod_database_fobs_code          2228207