The material structure described by CuCl4N2 is Indium-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ammonia atoms and four 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(2) is bonded in a single-bond geometry to one Cu(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu(NCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.158
_cell_length_b   8.158
_cell_length_c   7.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.222
_symmetry_Int_Tables_number   1
_cell_volume   419.056
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.356  0.644  0.000  1.0
  N  N3  1  0.856  0.144  0.500  1.0
  N  N4  1  0.644  0.356  0.000  1.0
  N  N5  1  0.144  0.856  0.500  1.0
  Cl  Cl6  1  0.149  0.851  0.000  1.0
  Cl  Cl7  1  0.649  0.351  0.500  1.0
  Cl  Cl8  1  0.851  0.149  0.000  1.0
  Cl  Cl9  1  0.351  0.649  0.500  1.0
  Cl  Cl10  1  0.801  0.801  0.200  1.0
  Cl  Cl11  1  0.199  0.199  0.800  1.0
  Cl  Cl12  1  0.699  0.699  0.700  1.0
  Cl  Cl13  1  0.301  0.301  0.300  1.0
[/CIF]
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The material structure described by CuCl4N2 is Indium-derived structured and crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ammonia atoms and four 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(2) is bonded in a single-bond geometry to one Cu(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cu(NCl2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.158
_cell_length_b   8.158
_cell_length_c   7.616
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   124.222
_symmetry_Int_Tables_number   1
_cell_volume   419.056
_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  0.000  0.000  0.000  1.0
  Cu  Cu1  1  0.500  0.500  0.500  1.0
  N  N2  1  0.356  0.644  0.000  1.0
  N  N3  1  0.856  0.144  0.500  1.0
  N  N4  1  0.644  0.356  0.000  1.0
  N  N5  1  0.144  0.856  0.500  1.0
  Cl  Cl6  1  0.149  0.851  0.000  1.0
  Cl  Cl7  1  0.649  0.351  0.500  1.0
  Cl  Cl8  1  0.851  0.149  0.000  1.0
  Cl  Cl9  1  0.351  0.649  0.500  1.0
  Cl  Cl10  1  0.801  0.801  0.200  1.0
  Cl  Cl11  1  0.199  0.199  0.800  1.0
  Cl  Cl12  1  0.699  0.699  0.700  1.0
  Cl  Cl13  1  0.301  0.301  0.300  1.0
[/CIF]
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