<i>catena</i>-Poly[[(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')lead(II)]-di-μ-bromido]
Zhang, Bi-Song; Wu, Chang-Sheng; IUCrData 1 (2016) x160782–; doi:10.1107/S2414314616007823

data_1543454
_publ_section_title
;
 <i>catena</i>-Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')lead(II)]-di-\m-bromido]
;
_journal_issue                   5
_journal_name_full               IUCrData
_journal_page_first              x160782
_journal_paper_doi               10.1107/S2414314616007823
_journal_volume                  1
_journal_year                    2016
_chemical_formula_iupac          '[Pb Br2 (C10 H8 N2)]'
_chemical_formula_moiety         'C10 H8 Br2 N2 Pb'
_chemical_formula_sum            'C10 H8 Br2 N2 Pb'
_chemical_formula_weight         523.19
_chemical_name_systematic
<i>catena</i>-Poly[[(2,2'-bipyridine-\k^2^<i>N</i>,<i>N</i>')lead(II)]-di-\m-bromido]
_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                 104.79(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.249(3)
_cell_length_b                   9.878(2)
_cell_length_c                   8.2425(16)
_cell_measurement_reflns_used    4297
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      24.49
_cell_measurement_theta_min      3.28
_cell_volume                     1279.2(5)
_computing_cell_refinement
;
RAPID-AUTO (Rigaku, 1998)
;
_computing_data_collection
;
RAPID-AUTO (Rigaku, 1998)
;
_computing_data_reduction
;
CrystalStructure (Rigaku/MSC, 2002)
;
_computing_molecular_graphics
;
SHELXTL (Sheldrick, 2008)
;
_computing_publication_material
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_refinement
;
SHELXL97 (Sheldrick, 2008)
;
_computing_structure_solution
;
SHELXS97 (Sheldrick, 2008)
;
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\w scans'
_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  0.1234
_diffrn_reflns_av_sigmaI/netI    0.0872
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       8
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            4632
_diffrn_reflns_theta_full        24.49
_diffrn_reflns_theta_max         24.49
_diffrn_reflns_theta_min         3.28
_exptl_absorpt_coefficient_mu    19.405
_exptl_absorpt_correction_T_max  0.017
_exptl_absorpt_correction_T_min  0.013
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(ABSCOR; Higashi, 1995)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.717
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             936
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         1.641
_refine_diff_density_min         -1.973
_refine_ls_extinction_coef       0.0010(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method
;
SHELXL97 (Sheldrick, 2008)
;
_refine_ls_goodness_of_fit_ref   1.211
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     58
_refine_ls_number_reflns         1053
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.305
_refine_ls_R_factor_all          0.0628
_refine_ls_R_factor_gt           0.0426
_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^)+(0.0000P)^2^+35.8179P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0860
_refine_ls_wR_factor_ref         0.1236
_reflns_number_gt                871
_reflns_number_total             1053
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm4013sup1.cif
_cod_data_source_block           I
_cod_original_cell_volume        1279.2(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1543454
_cod_database_fobs_code 1543454