The material structure described by NiC2H12(N3S)2 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two NiC2H12(N3S)2 clusters. Ni(1) is bonded in an octahedral geometry to two equivalent N(2) and four equivalent N(1) atoms. C(1) is bonded in a distorted linear geometry to one N(2) and one S(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(1), one H(2), and one H(3) atom. In the second N site, N(2) is bonded in a linear geometry to one Ni(1) and one C(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. S(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_NiH12C2(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.105
_cell_length_c   5.722
_cell_angle_alpha   77.327
_cell_angle_beta   77.327
_cell_angle_gamma   71.157
_symmetry_Int_Tables_number   1
_cell_volume   263.239
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.997  0.285  0.251  1.0
  H  H2  1  0.715  0.003  0.749  1.0
  H  H3  1  0.003  0.715  0.749  1.0
  H  H4  1  0.285  0.997  0.251  1.0
  H  H5  1  0.762  0.279  0.276  1.0
  H  H6  1  0.721  0.238  0.724  1.0
  H  H7  1  0.238  0.721  0.724  1.0
  H  H8  1  0.279  0.762  0.276  1.0
  H  H9  1  0.869  0.392  0.023  1.0
  H  H10  1  0.608  0.131  0.977  1.0
  H  H11  1  0.131  0.608  0.977  1.0
  H  H12  1  0.392  0.869  0.023  1.0
  C  C13  1  0.764  0.764  0.453  1.0
  C  C14  1  0.236  0.236  0.547  1.0
  S  S15  1  0.644  0.644  0.683  1.0
  S  S16  1  0.356  0.356  0.317  1.0
  N  N17  1  0.104  0.731  0.841  1.0
  N  N18  1  0.269  0.896  0.159  1.0
  N  N19  1  0.853  0.853  0.291  1.0
  N  N20  1  0.147  0.147  0.709  1.0
  N  N21  1  0.896  0.269  0.159  1.0
  N  N22  1  0.731  0.104  0.841  1.0
[/CIF]
.
The material structure described by NiC2H12(N3S)2 is Indium-like structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two NiC2H12(N3S)2 clusters. Ni(1) is bonded in an octahedral geometry to two equivalent N(2) and four equivalent N(1) atoms. C(1) is bonded in a distorted linear geometry to one N(2) and one S(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal non-coplanar geometry to one Ni(1), one H(1), one H(2), and one H(3) atom. In the second N site, N(2) is bonded in a linear geometry to one Ni(1) and one C(1) atom. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. S(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the CIF card [CIF]
data_NiH12C2(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.105
_cell_length_b   7.105
_cell_length_c   5.722
_cell_angle_alpha   77.327
_cell_angle_beta   77.327
_cell_angle_gamma   71.157
_symmetry_Int_Tables_number   1
_cell_volume   263.239
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  H  H1  1  0.997  0.285  0.251  1.0
  H  H2  1  0.715  0.003  0.749  1.0
  H  H3  1  0.003  0.715  0.749  1.0
  H  H4  1  0.285  0.997  0.251  1.0
  H  H5  1  0.762  0.279  0.276  1.0
  H  H6  1  0.721  0.238  0.724  1.0
  H  H7  1  0.238  0.721  0.724  1.0
  H  H8  1  0.279  0.762  0.276  1.0
  H  H9  1  0.869  0.392  0.023  1.0
  H  H10  1  0.608  0.131  0.977  1.0
  H  H11  1  0.131  0.608  0.977  1.0
  H  H12  1  0.392  0.869  0.023  1.0
  C  C13  1  0.764  0.764  0.453  1.0
  C  C14  1  0.236  0.236  0.547  1.0
  S  S15  1  0.644  0.644  0.683  1.0
  S  S16  1  0.356  0.356  0.317  1.0
  N  N17  1  0.104  0.731  0.841  1.0
  N  N18  1  0.269  0.896  0.159  1.0
  N  N19  1  0.853  0.853  0.291  1.0
  N  N20  1  0.147  0.147  0.709  1.0
  N  N21  1  0.896  0.269  0.159  1.0
  N  N22  1  0.731  0.104  0.841  1.0
[/CIF]
.