data_2010187
_journal_name_full  'Acta Crystallographica'
_journal_year  1994
_journal_volume  C50
_journal_page_first  1681
_journal_page_last  1683
_publ_section_title
;
(2,2'-Bipyridine)bis(thiocyanato-N)copper(II),
[Cu(bipy)(NCS)~2~]
;
loop_
_publ_author_name
  'Parker, O. Jerry'
  'Wilson, Billie L.'
  'Breneman, Gary L.'
_chemical_formula_moiety  '[Cu (NCS)2 (C10 H8 N2 )]'
_chemical_formula_sum  'C12 H8 Cu N4 S2'
_chemical_formula_weight  335.892
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'C 2/c'
_symmetry_space_group_name_Hall  '-C 2yc'
loop_
_symmetry_equiv_pos_as_xyz
  'X,Y,Z'
  '-X,Y,1/2-Z'
  '-X,-Y,-Z'
  'X,-Y,1/2+Z'
  '1/2+X,1/2+Y,Z'
  '1/2-X,1/2+Y,1/2-Z'
  '1/2-X,1/2-Y,-Z'
  '1/2+X,1/2-Y,1/2+Z'
_cell_length_a  8.0840(10)
_cell_length_b  15.5570(10)
_cell_length_c  10.518(2)
_cell_angle_alpha  90
_cell_angle_beta  95.100(10)
_cell_angle_gamma  90
_cell_volume  1317.5(3)
_cell_formula_units_Z  4
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  1.69
_refine_ls_R_factor_obs  0.041
_refine_ls_wR_factor_obs  0.050
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Cu 1.000 0.09919(3) 0.750 0.03860(10)
  S 0.72820(10)
  -0.09246(7) 0.45580(10)
  0.0602(2)
  N1 0.8721(4) 0.0161(2) 0.6436(3) 0.0393(6)
  N2 0.8490(3) 0.1970(2) 0.6971(2) 0.0301(6)
  C1 0.8110(4) -0.0284(2) 0.5654(3) 0.0351(7)
  C2 0.6915(4) 0.1901(2) 0.6449(3) 0.0350(7)
  C3 0.5945(4) 0.2614(2) 0.6145(3) 0.0410(9)
  C4 0.6610(4) 0.3420(2) 0.6373(3) 0.0438(9)
  C5 0.8227(4) 0.3495(2) 0.6911(3) 0.0404(9)
  C6 0.9125(4) 0.2759(2) 0.7201(3) 0.0296(6)
  H2 0.653(4) 0.130(2) 0.632(3) 0.040(10)
  H3 0.489(4) 0.251(2) 0.577(3) 0.044(9)
  H4 0.609(5) 0.392(2) 0.621(3) 0.060(10)
  H5 0.860(4) 0.405(2) 0.705(3) 0.040(10)
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
  Cu 0.0460(3) 0.0233(2) 0.0421(3) 0 -0.0212(2) 0
  S 0.0629(6) 0.0646(5) 0.0509(5) -0.0229(4) -0.0073(5) -0.0204(4)
  N1 0.0440(10)
  0.0300(10)
  0.0420(10)
  -0.0020(10)
  -0.0090(10)
  -0.0050(10)
  N2 0.0340(10)
  0.0290(10)
  0.0260(10)
  0.0020(10)
  -0.0040(10)
  0.0030(10)
  C1 0.035(2) 0.0310(10)
  0.039(2)  0.0000(10)
  -0.0040(10)
  0.0030(10)
  C2 0.035(2) 0.0370(10)
  0.0320(10)
  -0.0010(10)
  -0.0020(10)
  0.0030(10)
  C3 0.035(2) 0.053(2) 0.035(2) 0.006(2) -0.0010(10)
  0.0070(10)
  C4 0.048(2) 0.041(2) 0.042(2) 0.0160(10)
  0.001(2) 0.0040(10)
  C5 0.052(2) 0.0280(10)
  0.040(2) 0.0050(10)
  0.000(2) 0.0000(10)
  C6 0.038(2) 0.0290(10)
  0.0210(10)
  0.0000(10)
  0.0010(10)
  0.0010(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Cu S . 4_555 3.2200(10)
  yes
  Cu N1 . . 1.946(3) yes
  Cu N2 . . 1.998(2) yes
  S C1 . . 1.622(3) yes
  N1 C1 . . 1.153(4) yes
  N2 C2 . . 1.345(4) yes
  N2 C6 . . 1.345(4) yes
  C2 C3 . . 1.379(5) yes
  C3 C4 . . 1.378(5) yes
  C4 C5 . . 1.382(5) yes
  C5 C6 . . 1.376(4) yes
  C6 C6 . 2_756 1.496(6) yes