The material described by CuCl4(CN)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and two CuCl4 clusters. In each CuCl4 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_CuC2(NCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.867
_cell_length_b   7.799
_cell_length_c   9.558
_cell_angle_alpha   66.773
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.885
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.525  0.813  0.373  1.0
  C  C3  1  0.025  0.687  0.627  1.0
  C  C4  1  0.475  0.187  0.627  1.0
  C  C5  1  0.975  0.313  0.373  1.0
  N  N6  1  0.484  0.881  0.244  1.0
  N  N7  1  0.984  0.619  0.756  1.0
  N  N8  1  0.516  0.119  0.756  1.0
  N  N9  1  0.016  0.381  0.244  1.0
  Cl  Cl10  1  0.477  0.374  0.242  1.0
  Cl  Cl11  1  0.977  0.126  0.758  1.0
  Cl  Cl12  1  0.523  0.626  0.758  1.0
  Cl  Cl13  1  0.023  0.874  0.242  1.0
  Cl  Cl14  1  0.311  0.317  0.979  1.0
  Cl  Cl15  1  0.811  0.183  0.021  1.0
  Cl  Cl16  1  0.689  0.683  0.021  1.0
  Cl  Cl17  1  0.189  0.817  0.979  1.0
[/CIF]
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The material described by CuCl4(CN)2 is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and two CuCl4 clusters. In each CuCl4 cluster, Cu(1) is bonded in a square co-planar geometry to two equivalent Cl(1) and two equivalent Cl(2) atoms. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the CIF card [CIF]
data_CuC2(NCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.867
_cell_length_b   7.799
_cell_length_c   9.558
_cell_angle_alpha   66.773
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   538.885
_cell_formula_units_Z   2
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  0.500  0.500  0.000  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  C  C2  1  0.525  0.813  0.373  1.0
  C  C3  1  0.025  0.687  0.627  1.0
  C  C4  1  0.475  0.187  0.627  1.0
  C  C5  1  0.975  0.313  0.373  1.0
  N  N6  1  0.484  0.881  0.244  1.0
  N  N7  1  0.984  0.619  0.756  1.0
  N  N8  1  0.516  0.119  0.756  1.0
  N  N9  1  0.016  0.381  0.244  1.0
  Cl  Cl10  1  0.477  0.374  0.242  1.0
  Cl  Cl11  1  0.977  0.126  0.758  1.0
  Cl  Cl12  1  0.523  0.626  0.758  1.0
  Cl  Cl13  1  0.023  0.874  0.242  1.0
  Cl  Cl14  1  0.311  0.317  0.979  1.0
  Cl  Cl15  1  0.811  0.183  0.021  1.0
  Cl  Cl16  1  0.689  0.683  0.021  1.0
  Cl  Cl17  1  0.189  0.817  0.979  1.0
[/CIF]
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