The crystal structure described by CuH4(OCl)2 is Indium-like structured and crystallizes in the orthorhombic Pmna space group. The structure is zero-dimensional and consists of two 10125-13-0 molecules. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent Cl(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent H(1) atoms. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH4(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   7.459
_cell_length_c   8.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.309
_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  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.128  0.086  0.688  1.0
  H  H3  1  0.128  0.414  0.812  1.0
  H  H4  1  0.872  0.914  0.312  1.0
  H  H5  1  0.872  0.586  0.188  1.0
  H  H6  1  0.128  0.414  0.188  1.0
  H  H7  1  0.872  0.914  0.688  1.0
  H  H8  1  0.872  0.586  0.812  1.0
  H  H9  1  0.128  0.086  0.312  1.0
  Cl  Cl10  1  0.649  0.746  0.500  1.0
  Cl  Cl11  1  0.351  0.246  0.000  1.0
  Cl  Cl12  1  0.351  0.254  0.500  1.0
  Cl  Cl13  1  0.649  0.754  0.000  1.0
  O  O14  1  0.000  0.000  0.759  1.0
  O  O15  1  0.000  0.500  0.259  1.0
  O  O16  1  0.000  0.500  0.741  1.0
  O  O17  1  0.000  0.000  0.241  1.0
[/CIF]
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The crystal structure described by CuH4(OCl)2 is Indium-like structured and crystallizes in the orthorhombic Pmna space group. The structure is zero-dimensional and consists of two 10125-13-0 molecules. Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent Cl(1) atoms. H(1) is bonded in a single-bond geometry to one O(1) atom. O(1) is bonded in a distorted trigonal planar geometry to one Cu(1) and two equivalent H(1) atoms. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH4(ClO)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.897
_cell_length_b   7.459
_cell_length_c   8.061
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   234.309
_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  0.500  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.128  0.086  0.688  1.0
  H  H3  1  0.128  0.414  0.812  1.0
  H  H4  1  0.872  0.914  0.312  1.0
  H  H5  1  0.872  0.586  0.188  1.0
  H  H6  1  0.128  0.414  0.188  1.0
  H  H7  1  0.872  0.914  0.688  1.0
  H  H8  1  0.872  0.586  0.812  1.0
  H  H9  1  0.128  0.086  0.312  1.0
  Cl  Cl10  1  0.649  0.746  0.500  1.0
  Cl  Cl11  1  0.351  0.246  0.000  1.0
  Cl  Cl12  1  0.351  0.254  0.500  1.0
  Cl  Cl13  1  0.649  0.754  0.000  1.0
  O  O14  1  0.000  0.000  0.759  1.0
  O  O15  1  0.000  0.500  0.259  1.0
  O  O16  1  0.000  0.500  0.741  1.0
  O  O17  1  0.000  0.000  0.241  1.0
[/CIF]
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