Poly[[aqua(1,10-phenanthroline)lead(II)]-μ~3~-3-sulfonatobenzoato]
Ma, Ai-Qing; Zhu, Long-Guan; Cai, Guo-Qiang; Acta Crystallographica Section E 61 (2005) m2264–m2266; doi:10.1107/S1600536805031995

data_2207200
_publ_section_title
;
 Poly[[aqua(1,10-phenanthroline)lead(II)]-\m~3~-3-sulfonatobenzoato]
;
_journal_coeditor_code           CV6590
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2264
_journal_page_last               m2266
_journal_paper_doi               10.1107/S1600536805031995
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '[Pb (C7 H4 O5 S) (C12 H8 N2) (H2 O)]'
_chemical_formula_moiety         'C19 H14 N2 O6 Pb S'
_chemical_formula_sum            'C19 H14 N2 O6 Pb S'
_chemical_formula_weight         605.57
_chemical_name_systematic
;
Poly[[aqua(1,10-phenanthroline)lead(II)]-\m~3~-3-sulfonatobenzoato]
;
_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                99.6840(10)
_cell_angle_beta                 98.1090(10)
_cell_angle_gamma                102.6140(10)
_cell_formula_units_Z            2
_cell_length_a                   6.8033(6)
_cell_length_b                   11.1687(10)
_cell_length_c                   12.6787(11)
_cell_measurement_reflns_used    5025
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.86
_cell_measurement_theta_min      2.25
_cell_volume                     910.76(14)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker APEX 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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0372
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6518
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.91
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    9.419
_exptl_absorpt_correction_T_max  0.361
_exptl_absorpt_correction_T_min  0.273
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    2.208
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             576
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.619
_refine_diff_density_min         -1.969
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.14
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         3148
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.14
_refine_ls_R_factor_all          0.029
_refine_ls_R_factor_gt           0.027
_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^)+(0.0409P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.069
_refine_ls_wR_factor_ref         0.070
_reflns_number_gt                2993
_reflns_number_total             3148
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            cv6590.cif
_cod_data_source_block           I
_cod_database_code               2207200
_cod_database_fobs_code          2207200