The crystal structure described by Cu(NH3)2Br crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydrogen bromide atoms and four Cu(NH3)2 clusters. In each Cu(NH3)2 cluster, Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Cu(1), one H(1), one H(2), and one H(3) atom to form distorted corner-sharing NCuH3 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_CuH6BrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.250
_cell_length_b   7.250
_cell_length_c   5.806
_cell_angle_alpha   78.940
_cell_angle_beta   78.940
_cell_angle_gamma   125.173
_symmetry_Int_Tables_number   1
_cell_volume   226.752
_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  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.589  0.820  0.287  1.0
  H  H3  1  0.180  0.411  0.213  1.0
  H  H4  1  0.598  0.855  0.992  1.0
  H  H5  1  0.145  0.402  0.508  1.0
  H  H6  1  0.911  0.288  0.412  1.0
  H  H7  1  0.712  0.089  0.088  1.0
  H  H8  1  0.288  0.911  0.912  1.0
  H  H9  1  0.089  0.712  0.588  1.0
  H  H10  1  0.855  0.598  0.492  1.0
  H  H11  1  0.402  0.145  0.008  1.0
  H  H12  1  0.820  0.589  0.787  1.0
  H  H13  1  0.411  0.180  0.713  1.0
  Br  Br14  1  0.363  0.637  0.750  1.0
  Br  Br15  1  0.637  0.363  0.250  1.0
  N  N16  1  0.695  0.936  0.100  1.0
  N  N17  1  0.064  0.305  0.400  1.0
  N  N18  1  0.936  0.695  0.600  1.0
  N  N19  1  0.305  0.064  0.900  1.0
[/CIF]
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The crystal structure described by Cu(NH3)2Br crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hydrogen bromide atoms and four Cu(NH3)2 clusters. In each Cu(NH3)2 cluster, Cu(1) is bonded in a linear geometry to two equivalent N(1) atoms. N(1) is bonded to one Cu(1), one H(1), one H(2), and one H(3) atom to form distorted corner-sharing NCuH3 tetrahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one N(1) atom. is represented by the CIF card [CIF]
data_CuH6BrN2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.250
_cell_length_b   7.250
_cell_length_c   5.806
_cell_angle_alpha   78.940
_cell_angle_beta   78.940
_cell_angle_gamma   125.173
_symmetry_Int_Tables_number   1
_cell_volume   226.752
_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  0.500  1.0
  Cu  Cu1  1  0.000  0.000  0.000  1.0
  H  H2  1  0.589  0.820  0.287  1.0
  H  H3  1  0.180  0.411  0.213  1.0
  H  H4  1  0.598  0.855  0.992  1.0
  H  H5  1  0.145  0.402  0.508  1.0
  H  H6  1  0.911  0.288  0.412  1.0
  H  H7  1  0.712  0.089  0.088  1.0
  H  H8  1  0.288  0.911  0.912  1.0
  H  H9  1  0.089  0.712  0.588  1.0
  H  H10  1  0.855  0.598  0.492  1.0
  H  H11  1  0.402  0.145  0.008  1.0
  H  H12  1  0.820  0.589  0.787  1.0
  H  H13  1  0.411  0.180  0.713  1.0
  Br  Br14  1  0.363  0.637  0.750  1.0
  Br  Br15  1  0.637  0.363  0.250  1.0
  N  N16  1  0.695  0.936  0.100  1.0
  N  N17  1  0.064  0.305  0.400  1.0
  N  N18  1  0.936  0.695  0.600  1.0
  N  N19  1  0.305  0.064  0.900  1.0
[/CIF]
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