data_2011872
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  354
_journal_page_last  355
_publ_section_title
;
Dichloro(2,2'-diamino-4,4'-bi-1,3-thiazole-N^3^,N^3^')copper(II)
;
loop_
_publ_author_name
  'Liu, Jia-Geng'
  'Nie, Jing-Jing'
  'Xu, Duan-Jun'
  'Xu, Yuan-Zhi'
  'Wu, Jing-Yun'
  'Chiang, Michael Y.'
_chemical_formula_moiety  'C6 H6 Cl2 Cu N4 S2'
_chemical_formula_sum  'C6 H6 Cl2 Cu N4 S2'
_chemical_formula_structural  '[Cu (C6 H6 N4 S2) Cl2]'
_chemical_formula_weight  332.71
_symmetry_cell_setting  Orthorhombic
_symmetry_space_group_name_H-M  'P b c n'
_symmetry_space_group_name_Hall  '-P 2n 2ab'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x+1/2, -y+1/2, z+1/2'
  '-x, y, -z+1/2'
  'x+1/2, -y+1/2, -z'
  '-x, -y, -z'
  'x-1/2, y-1/2, -z-1/2'
  'x, -y, z-1/2'
  '-x-1/2, y-1/2, z'
_cell_length_a  9.494(2)
_cell_length_b  15.936(3)
_cell_length_c  7.1370(14)
_cell_angle_alpha  90
_cell_angle_beta  90
_cell_angle_gamma  90
_cell_volume  1079.8(4)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.047
_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_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Cu 0  .33950(3) 1/4  .0274(2) Uani d S 1 . Cu
  Cl1  .09711(8)  .24619(4) 0.05419(13)  .0496(2) Uani d . 1 . Cl
  S1  .32564(7)  .54107(4) 0.12590(10)  .0321(2) Uani d . 1 . S
  N1  .1310(2)  .43387(13) 0.1953(3)  .0238(4) Uani d . 1 . N
  N2  .3483(3)  .3731(2) 0.1155(4)  .0421(6) Uani d . 1 . N
  C1  .0741(2)  .51341(15) 0.2207(3)  .0228(5) Uani d . 1 . C
  C2  .1611(3)  .5783(2) 0.1885(4)  .0302(6) Uani d . 1 . C
  C3  .2647(3)  .4386(2) 0.1444(3)  .0268(5) Uani d . 1 . C
  H2  .145(4)  .629(3) 0.208(6)  .060 Uiso d . 1 . H
  H2B  .430(4)  .383(2) 0.076(6)  .060 Uiso d . 1 . H
  H2A  .310(4)  .329(3) 0.115(6)  .060 Uiso d . 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
  Cu  .0228(2)  .0191(2)  .0402(3) 0  .0001(2) 0
  Cl1  .0422(4)  .0314(4)  .0752(6)  .0017(3)  .0044(4)  -.0208(4)
  S1  .0239(3)  .0349(4)  .0373(4)  -.0078(3)  .0048(3)  .0010(3)
  N1  .0182(9)  .0246(10)  .0285(10)  .0008(8)  .0014(8)  .0014(9)
  N2  .0235(11)  .0352(13)  .068(2)  .0059(10)  .0104(12)  .0050(13)
  C1  .0214(12)  .0235(12)  .0234(12)  .0000(10)  .0007(10)  -.0007(9)
  C2  .0277(13)  .0263(13)  .0366(14)  -.0038(11)  .0049(12)  -.0014(11)
  C3  .0220(12)  .0300(12)  .0284(12)  -.0005(10)  .0001(10)  .0018(10)
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
  Cu N1 . 1.990(2) yes
  Cu Cl1 . 2.2392(8) yes
  S1 C2 . 1.730(3) yes
  S1 C3 . 1.737(3) yes
  N1 C3 . 1.322(3) ues
  N1 C1 . 1.390(3) yes
  N2 C3 . 1.327(4) yes
  N2 H2B .  .84(4) no
  N2 H2A .  .78(4) no
  C1 C2 . 1.344(4) yes
  C1 C1 3 1.467(5) yes
  C2 H2 .  .84(4) no