The material structure described by CuCl4O2N2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four ammonia atoms and two CuCl4O2 clusters. In each CuCl4O2 cluster, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), one Cl(1), and one Cl(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Cl(5,6) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Cl(5,6) atom. There are three 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. In the third Cl site, Cl(5,6) is bonded in a single-bond geometry to one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuN2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   8.135
_cell_length_c   8.168
_cell_angle_alpha   89.686
_cell_angle_beta   72.914
_cell_angle_gamma   89.393
_symmetry_Int_Tables_number   1
_cell_volume   441.276
_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  0.497  0.500  0.500  1.0
  Cu  Cu1  1  0.004  0.000  0.000  1.0
  N  N2  1  0.247  0.005  0.496  1.0
  N  N3  1  0.757  0.493  0.994  1.0
  N  N4  1  0.753  0.993  0.503  1.0
  N  N5  1  0.239  0.507  0.008  1.0
  Cl  Cl6  1  0.487  0.680  0.306  1.0
  Cl  Cl7  1  0.507  0.320  0.693  1.0
  Cl  Cl8  1  0.998  0.809  0.819  1.0
  Cl  Cl9  1  0.010  0.191  0.182  1.0
  Cl  Cl10  1  0.929  0.644  0.337  1.0
  Cl  Cl11  1  0.065  0.356  0.662  1.0
  Cl  Cl12  1  0.434  0.843  0.858  1.0
  Cl  Cl13  1  0.572  0.157  0.143  1.0
  O  O14  1  0.218  0.471  0.522  1.0
  O  O15  1  0.728  0.035  0.013  1.0
  O  O16  1  0.775  0.530  0.477  1.0
  O  O17  1  0.280  0.966  0.987  1.0
[/CIF]
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The material structure described by CuCl4O2N2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four ammonia atoms and two CuCl4O2 clusters. In each CuCl4O2 cluster, Cu(1) is bonded in a square co-planar geometry to one O(1), one O(3), one Cl(1), and one Cl(2) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cu(1) and one Cl(5,6) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Cu(1) and one Cl(5,6) atom. There are three 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. In the third Cl site, Cl(5,6) is bonded in a single-bond geometry to one O(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuN2(Cl2O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.948
_cell_length_b   8.135
_cell_length_c   8.168
_cell_angle_alpha   89.686
_cell_angle_beta   72.914
_cell_angle_gamma   89.393
_symmetry_Int_Tables_number   1
_cell_volume   441.276
_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  0.497  0.500  0.500  1.0
  Cu  Cu1  1  0.004  0.000  0.000  1.0
  N  N2  1  0.247  0.005  0.496  1.0
  N  N3  1  0.757  0.493  0.994  1.0
  N  N4  1  0.753  0.993  0.503  1.0
  N  N5  1  0.239  0.507  0.008  1.0
  Cl  Cl6  1  0.487  0.680  0.306  1.0
  Cl  Cl7  1  0.507  0.320  0.693  1.0
  Cl  Cl8  1  0.998  0.809  0.819  1.0
  Cl  Cl9  1  0.010  0.191  0.182  1.0
  Cl  Cl10  1  0.929  0.644  0.337  1.0
  Cl  Cl11  1  0.065  0.356  0.662  1.0
  Cl  Cl12  1  0.434  0.843  0.858  1.0
  Cl  Cl13  1  0.572  0.157  0.143  1.0
  O  O14  1  0.218  0.471  0.522  1.0
  O  O15  1  0.728  0.035  0.013  1.0
  O  O16  1  0.775  0.530  0.477  1.0
  O  O17  1  0.280  0.966  0.987  1.0
[/CIF]
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