The material structure described by CuNH3Cl is Graphite-like structured and crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of eight CuNH3Cl clusters. Cu(1) is bonded in a linear geometry to one N(1) and one Cl(1) atom. N(1) is bonded in a distorted tetrahedral geometry to one Cu(1) and three equivalent H(1) atoms. H(1) is bonded in a single-bond geometry to one N(1) atom. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH3NCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.237
_cell_length_b   7.237
_cell_length_c   7.237
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   291.719
_cell_formula_units_Z   4
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  0.763  0.763  0.763  1.0
  Cu  Cu1  1  0.000  0.737  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.737  1.0
  Cu  Cu3  1  0.737  0.500  0.000  1.0
  H  H4  1  0.036  0.172  0.028  1.0
  H  H5  1  0.464  0.492  0.136  1.0
  H  H6  1  0.328  0.364  0.856  1.0
  H  H7  1  0.364  0.856  0.328  1.0
  H  H8  1  0.644  0.008  0.472  1.0
  H  H9  1  0.472  0.644  0.008  1.0
  H  H10  1  0.492  0.136  0.464  1.0
  H  H11  1  0.008  0.472  0.644  1.0
  H  H12  1  0.028  0.036  0.172  1.0
  H  H13  1  0.856  0.328  0.364  1.0
  H  H14  1  0.136  0.464  0.492  1.0
  H  H15  1  0.172  0.028  0.036  1.0
  N  N16  1  0.000  0.474  0.500  1.0
  N  N17  1  0.026  0.026  0.026  1.0
  N  N18  1  0.474  0.500  0.000  1.0
  N  N19  1  0.500  0.000  0.474  1.0
  Cl  Cl20  1  0.470  0.470  0.470  1.0
  Cl  Cl21  1  0.030  0.500  0.000  1.0
  Cl  Cl22  1  0.000  0.030  0.500  1.0
  Cl  Cl23  1  0.500  0.000  0.030  1.0
[/CIF]
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The material structure described by CuNH3Cl is Graphite-like structured and crystallizes in the cubic I2_13 space group. The structure is zero-dimensional and consists of eight CuNH3Cl clusters. Cu(1) is bonded in a linear geometry to one N(1) and one Cl(1) atom. N(1) is bonded in a distorted tetrahedral geometry to one Cu(1) and three equivalent H(1) atoms. H(1) is bonded in a single-bond geometry to one N(1) atom. Cl(1) is bonded in a single-bond geometry to one Cu(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CuH3NCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.237
_cell_length_b   7.237
_cell_length_c   7.237
_cell_angle_alpha   109.471
_cell_angle_beta   109.471
_cell_angle_gamma   109.471
_symmetry_Int_Tables_number   1
_cell_volume   291.719
_cell_formula_units_Z   4
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  0.763  0.763  0.763  1.0
  Cu  Cu1  1  0.000  0.737  0.500  1.0
  Cu  Cu2  1  0.500  0.000  0.737  1.0
  Cu  Cu3  1  0.737  0.500  0.000  1.0
  H  H4  1  0.036  0.172  0.028  1.0
  H  H5  1  0.464  0.492  0.136  1.0
  H  H6  1  0.328  0.364  0.856  1.0
  H  H7  1  0.364  0.856  0.328  1.0
  H  H8  1  0.644  0.008  0.472  1.0
  H  H9  1  0.472  0.644  0.008  1.0
  H  H10  1  0.492  0.136  0.464  1.0
  H  H11  1  0.008  0.472  0.644  1.0
  H  H12  1  0.028  0.036  0.172  1.0
  H  H13  1  0.856  0.328  0.364  1.0
  H  H14  1  0.136  0.464  0.492  1.0
  H  H15  1  0.172  0.028  0.036  1.0
  N  N16  1  0.000  0.474  0.500  1.0
  N  N17  1  0.026  0.026  0.026  1.0
  N  N18  1  0.474  0.500  0.000  1.0
  N  N19  1  0.500  0.000  0.474  1.0
  Cl  Cl20  1  0.470  0.470  0.470  1.0
  Cl  Cl21  1  0.030  0.500  0.000  1.0
  Cl  Cl22  1  0.000  0.030  0.500  1.0
  Cl  Cl23  1  0.500  0.000  0.030  1.0
[/CIF]
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