The crystal structure described by Cu4N4OBr6 is Indium structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two Cu4N4OBr6 clusters. Cu(1) is bonded to one N(1), one O(1), one Br(1), and two equivalent Br(2) atoms to form distorted edge-sharing CuBr3NO trigonal bipyramids. N(1) is bonded in a single-bond geometry to one Cu(1) atom. O(1) is bonded in a tetrahedral geometry to four equivalent Cu(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. In the second Br site, Br(2) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu4Br6N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   8.757
_cell_length_c   9.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   732.367
_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  0.666  0.569  0.617  1.0
  Cu  Cu1  1  0.166  0.931  0.883  1.0
  Cu  Cu2  1  0.334  0.431  0.617  1.0
  Cu  Cu3  1  0.834  0.069  0.883  1.0
  Cu  Cu4  1  0.569  0.334  0.383  1.0
  Cu  Cu5  1  0.931  0.834  0.117  1.0
  Cu  Cu6  1  0.431  0.666  0.383  1.0
  Cu  Cu7  1  0.069  0.166  0.117  1.0
  Br  Br8  1  0.500  0.500  0.818  1.0
  Br  Br9  1  0.000  0.000  0.682  1.0
  Br  Br10  1  0.500  0.500  0.182  1.0
  Br  Br11  1  0.000  0.000  0.318  1.0
  Br  Br12  1  0.628  0.823  0.503  1.0
  Br  Br13  1  0.128  0.677  0.997  1.0
  Br  Br14  1  0.372  0.177  0.503  1.0
  Br  Br15  1  0.872  0.323  0.997  1.0
  Br  Br16  1  0.823  0.372  0.497  1.0
  Br  Br17  1  0.677  0.872  0.003  1.0
  Br  Br18  1  0.177  0.628  0.497  1.0
  Br  Br19  1  0.323  0.128  0.003  1.0
  N  N20  1  0.816  0.631  0.727  1.0
  N  N21  1  0.316  0.869  0.773  1.0
  N  N22  1  0.184  0.369  0.727  1.0
  N  N23  1  0.684  0.131  0.773  1.0
  N  N24  1  0.631  0.184  0.273  1.0
  N  N25  1  0.869  0.684  0.227  1.0
  N  N26  1  0.369  0.816  0.273  1.0
  N  N27  1  0.131  0.316  0.227  1.0
  O  O28  1  0.500  0.500  0.500  1.0
  O  O29  1  0.000  0.000  0.000  1.0
[/CIF]
.
The crystal structure described by Cu4N4OBr6 is Indium structured and crystallizes in the tetragonal P-42_1c space group. The structure is zero-dimensional and consists of two Cu4N4OBr6 clusters. Cu(1) is bonded to one N(1), one O(1), one Br(1), and two equivalent Br(2) atoms to form distorted edge-sharing CuBr3NO trigonal bipyramids. N(1) is bonded in a single-bond geometry to one Cu(1) atom. O(1) is bonded in a tetrahedral geometry to four equivalent Cu(1) atoms. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. In the second Br site, Br(2) is bonded in an L-shaped geometry to two equivalent Cu(1) atoms. is represented by the CIF file [CIF]
data_Cu4Br6N4O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.757
_cell_length_b   8.757
_cell_length_c   9.550
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   732.367
_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  0.666  0.569  0.617  1.0
  Cu  Cu1  1  0.166  0.931  0.883  1.0
  Cu  Cu2  1  0.334  0.431  0.617  1.0
  Cu  Cu3  1  0.834  0.069  0.883  1.0
  Cu  Cu4  1  0.569  0.334  0.383  1.0
  Cu  Cu5  1  0.931  0.834  0.117  1.0
  Cu  Cu6  1  0.431  0.666  0.383  1.0
  Cu  Cu7  1  0.069  0.166  0.117  1.0
  Br  Br8  1  0.500  0.500  0.818  1.0
  Br  Br9  1  0.000  0.000  0.682  1.0
  Br  Br10  1  0.500  0.500  0.182  1.0
  Br  Br11  1  0.000  0.000  0.318  1.0
  Br  Br12  1  0.628  0.823  0.503  1.0
  Br  Br13  1  0.128  0.677  0.997  1.0
  Br  Br14  1  0.372  0.177  0.503  1.0
  Br  Br15  1  0.872  0.323  0.997  1.0
  Br  Br16  1  0.823  0.372  0.497  1.0
  Br  Br17  1  0.677  0.872  0.003  1.0
  Br  Br18  1  0.177  0.628  0.497  1.0
  Br  Br19  1  0.323  0.128  0.003  1.0
  N  N20  1  0.816  0.631  0.727  1.0
  N  N21  1  0.316  0.869  0.773  1.0
  N  N22  1  0.184  0.369  0.727  1.0
  N  N23  1  0.684  0.131  0.773  1.0
  N  N24  1  0.631  0.184  0.273  1.0
  N  N25  1  0.869  0.684  0.227  1.0
  N  N26  1  0.369  0.816  0.273  1.0
  N  N27  1  0.131  0.316  0.227  1.0
  O  O28  1  0.500  0.500  0.500  1.0
  O  O29  1  0.000  0.000  0.000  1.0
[/CIF]
.