The compound described by CuN2(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. N(1) is bonded in a rectangular see-saw-like geometry to four equivalent Cl(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Cl(1) atoms. Cl(1) is bonded in a distorted T-shaped geometry to two equivalent N(1) and one O(1) atom. is represented by the CIF file [CIF]
data_CuN2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.446
_cell_length_b   6.446
_cell_length_c   8.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.646
_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  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.000  0.500  0.250  1.0
  N  N3  1  0.500  0.000  0.750  1.0
  N  N4  1  0.000  0.500  0.750  1.0
  N  N5  1  0.500  0.000  0.250  1.0
  Cl  Cl6  1  0.268  0.732  0.254  1.0
  Cl  Cl7  1  0.732  0.268  0.254  1.0
  Cl  Cl8  1  0.232  0.232  0.754  1.0
  Cl  Cl9  1  0.768  0.768  0.754  1.0
  Cl  Cl10  1  0.732  0.268  0.746  1.0
  Cl  Cl11  1  0.268  0.732  0.746  1.0
  Cl  Cl12  1  0.768  0.768  0.246  1.0
  Cl  Cl13  1  0.232  0.232  0.246  1.0
  O  O14  1  0.500  0.500  0.282  1.0
  O  O15  1  0.000  0.000  0.782  1.0
  O  O16  1  0.500  0.500  0.718  1.0
  O  O17  1  0.000  0.000  0.218  1.0
[/CIF]
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The compound described by CuN2(OCl2)2 crystallizes in the tetragonal P4_2/mnm space group. Cu(1) is bonded in a linear geometry to two equivalent O(1) atoms. N(1) is bonded in a rectangular see-saw-like geometry to four equivalent Cl(1) atoms. O(1) is bonded in a distorted single-bond geometry to one Cu(1) and two equivalent Cl(1) atoms. Cl(1) is bonded in a distorted T-shaped geometry to two equivalent N(1) and one O(1) atom. is represented by the CIF file [CIF]
data_CuN2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.446
_cell_length_b   6.446
_cell_length_c   8.367
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   347.646
_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  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  N  N2  1  0.000  0.500  0.250  1.0
  N  N3  1  0.500  0.000  0.750  1.0
  N  N4  1  0.000  0.500  0.750  1.0
  N  N5  1  0.500  0.000  0.250  1.0
  Cl  Cl6  1  0.268  0.732  0.254  1.0
  Cl  Cl7  1  0.732  0.268  0.254  1.0
  Cl  Cl8  1  0.232  0.232  0.754  1.0
  Cl  Cl9  1  0.768  0.768  0.754  1.0
  Cl  Cl10  1  0.732  0.268  0.746  1.0
  Cl  Cl11  1  0.268  0.732  0.746  1.0
  Cl  Cl12  1  0.768  0.768  0.246  1.0
  Cl  Cl13  1  0.232  0.232  0.246  1.0
  O  O14  1  0.500  0.500  0.282  1.0
  O  O15  1  0.000  0.000  0.782  1.0
  O  O16  1  0.500  0.500  0.718  1.0
  O  O17  1  0.000  0.000  0.218  1.0
[/CIF]
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