<i>catena</i>-Poly[[bis(pyridine)lead(II)]bis(μ-pentafluorobenzenethiolato)]
Appleton, Sarah E.; Briand, Glen G.; Decken, Andreas; Smith, Anita S.; Acta Crystallographica Section E 67 (2011) m714–; doi:10.1107/S160053681101659X

data_2230348
_publ_section_title
;
 <i>catena</i>-Poly[[bis(pyridine)lead(II)]bis(\m-pentafluorobenzenethiolato)]
;
_journal_coeditor_code           HG5027
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m714
_journal_paper_doi               10.1107/S160053681101659X
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Pb (C6 F5 S)2 C5 H5 N)2]'
_chemical_formula_moiety         'C22 H10 F10 N2 Pb S2'
_chemical_formula_sum            'C22 H10 F10 N2 Pb S2'
_chemical_formula_weight         763.63
_chemical_name_systematic
;
<i>catena</i>-Poly[[bis(pyridine)lead(II)]bis(\m-pentafluorobenzenethiolato)]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 111.339(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.9288(19)
_cell_length_b                   5.0416(5)
_cell_length_c                   24.9155(19)
_cell_measurement_reflns_used    5261
_cell_measurement_temperature    198.0(10)
_cell_measurement_theta_max      27.917
_cell_measurement_theta_min      2.1945
_cell_volume                     2331.7(4)
_computing_cell_refinement       'SAINT (Bruker, 2006)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 2006)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008b)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008b)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008b)'
_diffrn_ambient_temperature      198.0(10)
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.960
_diffrn_measurement_device_type  'Bruker SMART1000/P4'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0546
_diffrn_reflns_av_sigmaI/netI    0.0581
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            6756
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         4.19
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    7.510
_exptl_absorpt_correction_T_max  0.5205
_exptl_absorpt_correction_T_min  0.0986
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008a)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.175
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Parallelepiped
_exptl_crystal_F_000             1440
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         3.834
_refine_diff_density_min         -2.705
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     168
_refine_ls_number_reflns         2575
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0422
_refine_ls_R_factor_gt           0.0402
_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^)+(0.0608P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0956
_refine_ls_wR_factor_ref         0.0966
_reflns_number_gt                2421
_reflns_number_total             2575
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hg5027.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2230348
_cod_database_fobs_code          2230348