The material structure described by CuC2(N3S)2 is Protactinium structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two CuC2(N3S)2 clusters. Cu(1) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent S(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 single-bond geometry to one Cu(1) atom. In the second N site, N(2) 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(1) atom. is represented by the CIF file [CIF]
data_CuC2(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.724
_cell_length_b   6.504
_cell_length_c   6.504
_cell_angle_alpha   73.522
_cell_angle_beta   61.391
_cell_angle_gamma   61.391
_symmetry_Int_Tables_number   1
_cell_volume   218.685
_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  0.077  0.263  0.263  1.0
  C  C2  1  0.923  0.737  0.737  1.0
  S  S3  1  0.828  0.266  0.266  1.0
  S  S4  1  0.172  0.734  0.734  1.0
  N  N5  1  0.243  0.787  0.127  1.0
  N  N6  1  0.757  0.873  0.213  1.0
  N  N7  1  0.757  0.213  0.873  1.0
  N  N8  1  0.243  0.127  0.787  1.0
  N  N9  1  0.249  0.266  0.266  1.0
  N  N10  1  0.751  0.734  0.734  1.0
[/CIF]
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The material structure described by CuC2(N3S)2 is Protactinium structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two CuC2(N3S)2 clusters. Cu(1) is bonded in an octahedral geometry to four equivalent N(1) and two equivalent S(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 single-bond geometry to one Cu(1) atom. In the second N site, N(2) 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(1) atom. is represented by the CIF file [CIF]
data_CuC2(SN3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.724
_cell_length_b   6.504
_cell_length_c   6.504
_cell_angle_alpha   73.522
_cell_angle_beta   61.391
_cell_angle_gamma   61.391
_symmetry_Int_Tables_number   1
_cell_volume   218.685
_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  0.077  0.263  0.263  1.0
  C  C2  1  0.923  0.737  0.737  1.0
  S  S3  1  0.828  0.266  0.266  1.0
  S  S4  1  0.172  0.734  0.734  1.0
  N  N5  1  0.243  0.787  0.127  1.0
  N  N6  1  0.757  0.873  0.213  1.0
  N  N7  1  0.757  0.213  0.873  1.0
  N  N8  1  0.243  0.127  0.787  1.0
  N  N9  1  0.249  0.266  0.266  1.0
  N  N10  1  0.751  0.734  0.734  1.0
[/CIF]
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