data_2011638 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2000 _journal_volume 56 _journal_page_first e552 _journal_page_last e553 _publ_section_title ; Poly[lead(II)-\m-4,4-bipyridine-N:N'-di-\m-bromo] ; loop_ _publ_author_name 'Cui, Yong' 'Ren, Jing' 'Chen, Gang' 'Yu, Weichao' 'Qian, Yitai' _chemical_formula_moiety 'C10 H8 Br2 N2 Pb' _chemical_formula_sum 'C10 H8 Br2 N2 Pb' _chemical_formula_iupac '[Pb Br2 (C10 H8 N2)]' _chemical_formula_weight 523.19 _symmetry_cell_setting 'Monoclinic' _symmetry_space_group_name_H-M 'C 2/m' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y, -z' 'x+1/2, y+1/2, z' '-x+1/2, y+1/2, -z' '-x, -y, -z' 'x, -y, z' '-x+1/2, -y+1/2, -z' 'x+1/2, -y+1/2, z' _cell_length_a 12.282(3) _cell_length_b 12.407(3) _cell_length_c 4.2191(8) _cell_angle_alpha 90.00 _cell_angle_beta 95.55(3) _cell_angle_gamma 90.00 _cell_volume 639.9(2) _cell_formula_units_Z 2 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 2.715 _diffrn_ambient_temperature 293(2) loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_calc_flag _atom_site_refinement_flags _atom_site_occupancy _atom_site_disorder_assembly _atom_site_disorder_group _atom_site_type_symbol Pb -.5000 1.0000 .5000 .0364(3) Uani d S 1 . . Pb Br -.67493(13) 1.0000 .9492(4) .0541(5) Uani d S 1 . . Br C1 -.4173(11) .7290(11) .396(5) .066(4) Uani d . 1 . . C H1A -.3597 .7664 .3195 .079 Uiso calc R 1 . . H C2 -.4141(10) .6196(10) .397(4) .058(3) Uani d . 1 . . C H2A -.3538 .5845 .3290 .070 Uiso calc R 1 . . H C3 -.5000 .5590(12) .5000 .042(3) Uani d S 1 . . C N -.5000 .7857(11) .5000 .060(4) Uani d S 1 . . N loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Pb .0375(4) .0303(4) .0426(5) .000 .0105(3) .000 Br .0389(8) .0713(12) .0536(9) .000 .0122(6) .000 C1 .055(7) .035(6) .112(11) .004(5) .031(7) .014(7) C2 .049(7) .041(6) .089(9) .006(5) .030(6) .011(6) C3 .039(7) .033(8) .054(8) .000 .007(6) .000 N .051(8) .033(7) .095(12) .000 .011(7) .000 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag Pb N . 2.659(14) Yes Pb N 5_476 2.659(14) No Pb Br . 2.9992(18) Yes Pb Br 5_476 2.9992(18) No Pb Br 5_477 3.008(2) No Pb Br 1_554 3.008(2) Yes Br Pb 1_556 3.008(2) No C1 N . 1.343(15) ? C1 C2 . 1.358(18) ? C2 C3 . 1.398(14) ? C3 C2 2_456 1.398(14) ? C3 C3 5_466 1.46(3) ? N C1 2_456 1.343(15) ?