Bis(benzoato-κ^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II) benzoic acid monosolvate
Yang, Juan; Li, Jiantong; Acta Crystallographica Section E 66 (2010) m1583–m1584; doi:10.1107/S1600536810046489

data_2228622
_publ_section_title
;
 Bis(benzoato-\k^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')lead(II)
 benzoic acid monosolvate
;
_journal_coeditor_code           YA2132
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1583
_journal_page_last               m1584
_journal_paper_doi               10.1107/S1600536810046489
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pb (C7 H5 O2)2 (C10 H8 N2)], C7 H6 O2'
_chemical_formula_moiety         'C24 H18 N2 O4 Pb, C7 H6 O2'
_chemical_formula_sum            'C31 H24 N2 O6 Pb'
_chemical_formula_weight         727.71
_chemical_name_systematic
;
Bis(benzoato-\k^2^<i>O</i>,<i>O</i>')(2,2'-bipyridine-
\k^2^<i>N</i>,<i>N</i>')lead(II) benzoic acid monosolvate
;
_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
_cell_angle_alpha                84.8430(10)
_cell_angle_beta                 88.1280(10)
_cell_angle_gamma                72.6190(10)
_cell_formula_units_Z            4
_cell_length_a                   9.6298(2)
_cell_length_b                   10.4264(2)
_cell_length_c                   28.7365(5)
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.0
_cell_measurement_theta_min      0.7
_cell_volume                     2742.32(9)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEXII 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  0.039
_diffrn_reflns_av_sigmaI/netI    0.043
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       38
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            49796
_diffrn_reflns_theta_full        29.0
_diffrn_reflns_theta_max         29.0
_diffrn_reflns_theta_min         0.7
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.2
_exptl_absorpt_correction_T_max  0.395
_exptl_absorpt_correction_T_min  0.253
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2007)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.763
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.17
_refine_diff_density_min         -1.13
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.01
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     773
_refine_ls_number_reflns         14302
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.01
_refine_ls_R_factor_all          0.061
_refine_ls_R_factor_gt           0.035
_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^)+(0.0359P)^2^+1.7335P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.073
_refine_ls_wR_factor_ref         0.081
_reflns_number_gt                10344
_reflns_number_total             14302
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya2132.cif
_cod_data_source_block           I
_cod_original_formula_sum        'C31 H24 N2 O6 Pb1'
_cod_database_code               2228622
_cod_database_fobs_code          2228622