data_2012259
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2001
_journal_volume  57
_journal_page_first  1157
_journal_page_last  1158
_publ_section_title
;
Bis[1-hydroxy-2(1H)-pyridinethiolato-S^2^,O]copper(II)
;
loop_
_publ_author_name
  'Bond, Andrew D.'
  'Feeder, Neil'
  'Teat, Simon J.'
  'Jones, William'
_chemical_name_common  Cu(PT)~2~
_chemical_formula_moiety  'C10 H8 Cu N2 O2 S2'
_chemical_formula_sum  'C10 H8 Cu N2 O2 S2'
_chemical_formula_iupac  '[Cu (C5 H4 N O S)2]'
_chemical_formula_weight  315.84
_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  4.0545(7)
_cell_length_b  7.5723(12)
_cell_length_c  9.0629(14)
_cell_angle_alpha  81.096(4)
_cell_angle_beta  86.190(4)
_cell_angle_gamma  85.197(4)
_cell_volume  273.53(8)
_cell_formula_units_Z  1
_cell_measurement_temperature  150(2)
_exptl_crystal_density_diffrn  1.917
_diffrn_ambient_temperature  150(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  .0000  .0000  .0000  .0156(3) Uani d S 1 . . Cu
  S1  .3100(3)  .08589(14)  -.20927(12)  .0220(3) Uani d . 1 . . S
  O1  .0855(8)  -.2449(4)  -.0387(3)  .0202(7) Uani d . 1 . . O
  N1  .3049(9)  -.2690(5)  -.1544(4)  .0162(7) Uani d . 1 . . N
  C1  .4313(11)  -.1253(6)  -.2437(5)  .0163(8) Uani d . 1 . . C
  C2  .6546(10)  -.1627(6)  -.3620(5)  .0178(9) Uani d . 1 . . C
  H2  .7483  -.0665  -.4267  .021 Uiso calc R 1 . . H
  C3  .7394(12)  -.3346(7)  -.3859(5)  .0234(10) Uani d . 1 . . C
  H3  .8884  -.3574  -.4674  .028 Uiso calc R 1 . . H
  C4  .6059(12)  -.4779(6)  -.2897(5)  .0224(9) Uani d . 1 . . C
  H4  .6656  -.5982  -.3044  .027 Uiso calc R 1 . . H
  C5  .3904(12)  -.4416(6)  -.1754(5)  .0194(9) Uani d . 1 . . C
  H5  .2982  -.5372  -.1095  .023 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  .0202(4)  .0153(4)  .0118(4)  -.0028(3)  .0023(3)  -.0045(3)
  S1  .0284(7)  .0167(6)  .0205(6)  -.0027(5)  .0067(5)  -.0040(5)
  O1  .0260(16)  .0195(15)  .0146(15)  -.0034(13)  .0077(13)  -.0045(12)
  N1  .0149(16)  .0232(19)  .0124(17)  -.0029(15)  -.0004(13)  -.0082(14)
  C1  .0154(18)  .020(2)  .0136(19)  -.0007(16)  -.0043(16)  -.0007(15)
  C2  .0131(18)  .024(2)  .015(2)  -.0021(17)  .0008(16)  -.0006(16)
  C3  .025(2)  .026(2)  .020(2)  .0003(19)  .0013(19)  -.0074(18)
  C4  .027(2)  .018(2)  .021(2)  -.0022(19)  .0023(19)  -.0025(17)
  C5  .026(2)  .0161(19)  .016(2)  -.0014(18)  -.0054(18)  -.0025(15)
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 O1 2 1.939(3) no
  Cu1 O1 . 1.939(3) yes
  Cu1 S1 2 2.2445(11) no
  Cu1 S1 . 2.2445(11) yes
  S1 C1 . 1.703(4) yes
  O1 N1 . 1.354(5) yes
  N1 C5 . 1.362(6) yes
  N1 C1 . 1.366(6) yes
  C1 C2 . 1.405(6) yes
  C2 C3 . 1.365(6) yes
  C2 H2 .  .9500 no
  C3 C4 . 1.405(7) yes
  C3 H3 .  .9500 no
  C4 C5 . 1.356(7) yes
  C4 H4 .  .9500 no
  C5 H5 .  .9500 no