The structure described by (CuC8(NS)4)2Cl2 is Indium-derived structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two hydrochloric acid atoms and two CuC8(NS)4 clusters. In each CuC8(NS)4 cluster, Cu(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(1) atom. In the second C site, C(2) is bonded in a bent 150 degrees geometry to one C(1) and one S(1) atom. N(1) is bonded in a single-bond geometry to one C(1) atom. S(1) is bonded in a water-like geometry to one Cu(1) and one C(2) atom. is represented by the CIF file [CIF]
data_CuC8S4N4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.032
_cell_length_b   10.032
_cell_length_c   10.032
_cell_angle_alpha   94.003
_cell_angle_beta   94.003
_cell_angle_gamma   149.360
_symmetry_Int_Tables_number   1
_cell_volume   496.201
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  C  C1  1  0.953  0.144  0.686  1.0
  C  C2  1  0.458  0.266  0.314  1.0
  C  C3  1  0.734  0.047  0.192  1.0
  C  C4  1  0.856  0.542  0.808  1.0
  C  C5  1  0.090  0.149  0.702  1.0
  C  C6  1  0.446  0.388  0.298  1.0
  C  C7  1  0.612  0.910  0.058  1.0
  C  C8  1  0.851  0.554  0.942  1.0
  S  S9  1  0.180  0.114  0.808  1.0
  S  S10  1  0.307  0.373  0.192  1.0
  S  S11  1  0.627  0.820  0.934  1.0
  S  S12  1  0.886  0.693  0.066  1.0
  N  N13  1  0.831  0.141  0.684  1.0
  N  N14  1  0.457  0.147  0.316  1.0
  N  N15  1  0.853  0.169  0.311  1.0
  N  N16  1  0.859  0.543  0.689  1.0
  Cl  Cl17  1  0.750  0.250  0.500  1.0
[/CIF]
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The structure described by (CuC8(NS)4)2Cl2 is Indium-derived structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two hydrochloric acid atoms and two CuC8(NS)4 clusters. In each CuC8(NS)4 cluster, Cu(1) is bonded in a tetrahedral geometry to four equivalent S(1) atoms. There are two inequivalent C sites. In the first C site, C(1) is bonded in a distorted linear geometry to one C(2) and one N(1) atom. In the second C site, C(2) is bonded in a bent 150 degrees geometry to one C(1) and one S(1) atom. N(1) is bonded in a single-bond geometry to one C(1) atom. S(1) is bonded in a water-like geometry to one Cu(1) and one C(2) atom. is represented by the CIF file [CIF]
data_CuC8S4N4Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.032
_cell_length_b   10.032
_cell_length_c   10.032
_cell_angle_alpha   94.003
_cell_angle_beta   94.003
_cell_angle_gamma   149.360
_symmetry_Int_Tables_number   1
_cell_volume   496.201
_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
  Cu  Cu0  1  0.000  0.000  0.000  1.0
  C  C1  1  0.953  0.144  0.686  1.0
  C  C2  1  0.458  0.266  0.314  1.0
  C  C3  1  0.734  0.047  0.192  1.0
  C  C4  1  0.856  0.542  0.808  1.0
  C  C5  1  0.090  0.149  0.702  1.0
  C  C6  1  0.446  0.388  0.298  1.0
  C  C7  1  0.612  0.910  0.058  1.0
  C  C8  1  0.851  0.554  0.942  1.0
  S  S9  1  0.180  0.114  0.808  1.0
  S  S10  1  0.307  0.373  0.192  1.0
  S  S11  1  0.627  0.820  0.934  1.0
  S  S12  1  0.886  0.693  0.066  1.0
  N  N13  1  0.831  0.141  0.684  1.0
  N  N14  1  0.457  0.147  0.316  1.0
  N  N15  1  0.853  0.169  0.311  1.0
  N  N16  1  0.859  0.543  0.689  1.0
  Cl  Cl17  1  0.750  0.250  0.500  1.0
[/CIF]
.