data_2011850 _journal_name_full 'Acta Crystallographica, Section C' _journal_year 2001 _journal_volume 57 _journal_page_first 349 _journal_page_last 351 _publ_section_title ; Bis(2,2-bipyridine-N,N')-tetra-\m-chloro-tetracopper(I) ; loop_ _publ_author_name 'Cui, Yong' 'Chen, Jiutong' 'Ren, Jing' 'Chen, Gang' 'Yu, Weichao' 'Qian, Yitai' _chemical_formula_moiety 'C20 H16 Cl4 Cu4 N4' _chemical_formula_sum 'C20 H16 Cl4 Cu4 N4' _chemical_formula_iupac '[Cu4 Cl4 (C10 H8 N2 ) 2 ]' _chemical_formula_weight 708.33 _symmetry_cell_setting 'triclinic' _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 7.4252(8) _cell_length_b 9.4231(7) _cell_length_c 9.4957(9) _cell_angle_alpha 64.253(2) _cell_angle_beta 74.117(2) _cell_angle_gamma 88.504(2) _cell_volume 572.28(9) _cell_formula_units_Z 1 _cell_measurement_temperature 293(2) _exptl_crystal_density_diffrn 2.055 _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 Cu1 .36488(12) .37281(9) .76046(9) .0564(4) Uani d . 1 . . Cu Cu2 .27638(12) .55493(9) .46479(10) .0557(3) Uani d . 1 . . Cu Cl1 .1289(2) .33153(19) .6406(2) .0523(4) Uani d . 1 . . Cl Cl2 .4053(2) .78493(18) .2887(2) .0518(4) Uani d . 1 . . Cl N1 .2068(7) .2786(6) 1.0056(6) .0446(12) Uani d . 1 . . N N2 .3850(6) .5683(6) .7967(6) .0397(11) Uani d . 1 . . N C1 .1200(10) .1323(8) 1.1047(8) .0550(16) Uani d . 1 . . C H1A .1354 .0562 1.0660 .066 Uiso calc R 1 . . H C2 .0090(10) .0902(8) 1.2617(8) .0586(18) Uani d . 1 . . C H2A -.0520 -.0119 1.3266 .070 Uiso calc R 1 . . H C3 -.0109(10) .1998(8) 1.3214(8) .0544(16) Uani d . 1 . . C H3A -.0825 .1726 1.4283 .065 Uiso calc R 1 . . H C4 .0765(9) .3504(8) 1.2213(7) .0491(15) Uani d . 1 . . C H4A .0614 .4272 1.2592 .059 Uiso calc R 1 . . H C5 .1868(8) .3884(7) 1.0642(7) .0384(12) Uani d . 1 . . C C6 .2898(8) .5478(6) .9489(6) .0368(12) Uani d . 1 . . C C7 .2915(9) .6699(7) .9929(8) .0455(14) Uani d . 1 . . C H7A .2251 .6543 1.0978 .055 Uiso calc R 1 . . H C8 .3911(10) .8139(8) .8816(8) .0522(16) Uani d . 1 . . C H8A .3937 .8963 .9103 .063 Uiso calc R 1 . . H C9 .4873(9) .8342(8) .7267(8) .0483(14) Uani d . 1 . . C H9A .5557 .9307 .6490 .058 Uiso calc R 1 . . H C10 .4807(9) .7103(7) .6889(8) .0455(14) Uani d . 1 . . C H10B .5453 .7250 .5840 .055 Uiso calc R 1 . . H 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 Cu1 .0737(6) .0552(6) .0444(5) .0022(4) -.0044(4) -.0331(4) Cu2 .0681(6) .0521(5) .0497(5) -.0014(4) -.0079(4) -.0303(4) Cl1 .0543(9) .0551(9) .0513(9) -.0020(7) -.0133(7) -.0276(8) Cl2 .0597(10) .0452(9) .0524(9) .0068(7) -.0105(7) -.0270(7) N1 .052(3) .045(3) .044(3) .009(2) -.017(2) -.025(2) N2 .036(3) .049(3) .043(3) .009(2) -.012(2) -.029(2) C1 .066(4) .052(4) .054(4) .005(3) -.017(3) -.030(3) C2 .064(4) .053(4) .048(4) .004(3) -.019(3) -.012(3) C3 .062(4) .060(4) .035(3) .006(3) -.008(3) -.019(3) C4 .061(4) .055(4) .042(3) .016(3) -.017(3) -.031(3) C5 .039(3) .047(3) .040(3) .011(2) -.015(2) -.027(3) C6 .043(3) .044(3) .035(3) .011(2) -.018(2) -.024(3) C7 .056(4) .048(4) .046(3) .008(3) -.015(3) -.033(3) C8 .064(4) .051(4) .060(4) .008(3) -.027(3) -.036(3) C9 .048(3) .049(4) .054(4) .003(3) -.016(3) -.028(3) C10 .048(3) .048(4) .045(3) .003(3) -.010(3) -.026(3) 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 Cu1 N1 . 2.085(5) Y Cu1 N2 . 2.032(5) Y Cu1 Cl1 . 2.4556(18) Y Cu1 Cl2 2_666 2.3184(17) Y Cu2 Cl1 . 2.1176(18) Y Cu2 Cl2 . 2.1196(18) Y Cu1 Cu2 . 2.8327(12) Y Cu1 Cu2 2_666 2.8008(12) Y N1 C1 . 1.337(8) ? N1 C5 . 1.360(7) ? N2 C10 . 1.343(8) ? N2 C6 . 1.353(7) ? C1 C2 . 1.375(10) ? C2 C3 . 1.365(10) ? C3 C4 . 1.370(10) ? C4 C5 . 1.382(8) ? C5 C6 . 1.487(8) ? C6 C7 . 1.386(8) ? C7 C8 . 1.372(9) ? C8 C9 . 1.378(9) ? C9 C10 . 1.368(9) ?