data_2012778
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2002
_journal_volume  58
_journal_page_first  m336
_journal_page_last  m337
_publ_section_title
;
catena-Poly[[bis(thiocyanate-\kN)cadmium(II)]-di-\m-thiourea-\k^2^S:S]
;
loop_
_publ_author_name
  'Wang, Xin Qiang'
  'Yu, Wen Tao'
  'Xu, Dong'
  'Lu, Meng Kai'
  'Yuan, Duo Rong'
_chemical_formula_moiety  'C4 H8 Cd N6 S4'
_chemical_formula_sum  'C4 H8 Cd N6 S4'
_chemical_formula_iupac  '[Cd (S C N)2 (C H4 N2 S)2]'
_chemical_formula_weight  380.85
_symmetry_cell_setting  Triclinic
_symmetry_space_group_name_H-M  'P -1'
_symmetry_space_group_name_Hall  '-p 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, -y, -z'
_cell_length_a  4.0368(3)
_cell_length_b  7.7237(4)
_cell_length_c  10.1355(5)
_cell_angle_alpha  84.607(4)
_cell_angle_beta  80.825(5)
_cell_angle_gamma  75.318(5)
_cell_volume  301.31(3)
_cell_formula_units_Z  1
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  2.099
_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
  Cd 1.0000 0.0000 0.0000 0.02530(8) Uani d S 1 . . Cd
  S2 0.38123(14) 0.24618(7) 0.03097(5) 0.02272(11) Uani d . 1 . . S
  S1 1.28382(19) -0.29833(11) 0.42963(7) 0.04088(17) Uani d . 1 . . S
  N1 0.9855(6) -0.0947(3) 0.2180(2) 0.0327(4) Uani d . 1 . . N
  C2 0.2265(6) 0.3052(3) 0.1950(2) 0.0249(4) Uani d . 1 . . C
  N2 0.3572(7) 0.2102(3) 0.2975(2) 0.0359(5) Uani d . 1 . . N
  C1 1.1093(6) -0.1789(3) 0.3062(2) 0.0253(4) Uani d . 1 . . C
  N3 -0.0306(7) 0.4492(3) 0.2142(3) 0.0398(6) Uani d . 1 . . N
  H2B 0.276(10) 0.234(5) 0.384(4) 0.040(9) Uiso d . 1 . . H
  H2A 0.558(11) 0.122(5) 0.286(4) 0.044(10) Uiso d . 1 . . H
  H3B -0.095(11) 0.490(6) 0.287(4) 0.052(11) Uiso d . 1 . . H
  H3A -0.099(13) 0.506(7) 0.145(5) 0.076(15) 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
  Cd 0.02309(12) 0.03219(13) 0.01756(11) -0.00200(9) -0.00363(8) 0.00240(8)
  S2 0.0225(2) 0.0235(2) 0.0199(2) -0.0010(2) -0.00307(19) -0.00228(18)
  S1 0.0326(3) 0.0579(4) 0.0249(3) 0.0000(3) -0.0078(2) 0.0103(3)
  N1 0.0388(11) 0.0361(10) 0.0213(9) -0.0071(9) -0.0054(8) 0.0042(8)
  C2 0.0263(10) 0.0244(9) 0.0235(10) -0.0055(8) -0.0009(8) -0.0045(7)
  N2 0.0431(13) 0.0387(11) 0.0220(9) -0.0013(10) -0.0055(9) -0.0039(8)
  C1 0.0257(10) 0.0291(10) 0.0207(9) -0.0069(8) -0.0010(8) -0.0022(8)
  N3 0.0459(14) 0.0338(11) 0.0296(11) 0.0079(10) 0.0009(10) -0.0097(9)
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
  Cd N1 . 2.258(2) y
  Cd S2 . 2.7217(5) y
  Cd S2 2_655 2.7985(6) y
  S2 C2 . 1.740(2) ?
  S1 C1 . 1.627(2) ?
  N1 C1 . 1.158(3) ?
  C2 N2 . 1.316(3) ?
  C2 N3 . 1.320(3) ?
  N2 H2B . 0.90(4) ?
  N2 H2A . 0.92(4) ?
  N3 H3B . 0.81(4) ?
  N3 H3A . 0.84(5) ?