The material described by NOOBrF4 is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four OBrF4 clusters. In each OBrF4 cluster, O(1) is bonded in a single-bond geometry to one Br(1) atom. Br(1) is bonded in a square pyramidal geometry to one O(1), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Br(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Br(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BrN(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.928
_cell_length_c   14.225
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.104
_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
  Br  Br0  1  0.250  0.668  0.354  1.0
  Br  Br1  1  0.750  0.832  0.854  1.0
  Br  Br2  1  0.250  0.168  0.146  1.0
  Br  Br3  1  0.750  0.332  0.646  1.0
  N  N4  1  0.250  0.440  0.849  1.0
  N  N5  1  0.250  0.940  0.651  1.0
  N  N6  1  0.750  0.060  0.349  1.0
  N  N7  1  0.750  0.560  0.151  1.0
  O  O8  1  0.250  0.453  0.422  1.0
  O  O9  1  0.750  0.727  0.115  1.0
  O  O10  1  0.250  0.273  0.885  1.0
  O  O11  1  0.750  0.047  0.922  1.0
  O  O12  1  0.750  0.227  0.385  1.0
  O  O13  1  0.250  0.773  0.615  1.0
  O  O14  1  0.250  0.953  0.078  1.0
  O  O15  1  0.750  0.547  0.578  1.0
  F  F16  1  0.483  0.541  0.269  1.0
  F  F17  1  0.023  0.832  0.423  1.0
  F  F18  1  0.523  0.168  0.577  1.0
  F  F19  1  0.477  0.332  0.076  1.0
  F  F20  1  0.523  0.668  0.923  1.0
  F  F21  1  0.017  0.541  0.269  1.0
  F  F22  1  0.983  0.459  0.731  1.0
  F  F23  1  0.483  0.041  0.231  1.0
  F  F24  1  0.023  0.332  0.076  1.0
  F  F25  1  0.017  0.041  0.231  1.0
  F  F26  1  0.983  0.959  0.769  1.0
  F  F27  1  0.977  0.168  0.577  1.0
  F  F28  1  0.977  0.668  0.923  1.0
  F  F29  1  0.477  0.832  0.423  1.0
  F  F30  1  0.517  0.459  0.731  1.0
  F  F31  1  0.517  0.959  0.769  1.0
[/CIF]
.
The material described by NOOBrF4 is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four OBrF4 clusters. In each OBrF4 cluster, O(1) is bonded in a single-bond geometry to one Br(1) atom. Br(1) is bonded in a square pyramidal geometry to one O(1), two equivalent F(1), and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one Br(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one Br(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_BrN(OF2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.907
_cell_length_b   5.928
_cell_length_c   14.225
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   498.104
_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
  Br  Br0  1  0.250  0.668  0.354  1.0
  Br  Br1  1  0.750  0.832  0.854  1.0
  Br  Br2  1  0.250  0.168  0.146  1.0
  Br  Br3  1  0.750  0.332  0.646  1.0
  N  N4  1  0.250  0.440  0.849  1.0
  N  N5  1  0.250  0.940  0.651  1.0
  N  N6  1  0.750  0.060  0.349  1.0
  N  N7  1  0.750  0.560  0.151  1.0
  O  O8  1  0.250  0.453  0.422  1.0
  O  O9  1  0.750  0.727  0.115  1.0
  O  O10  1  0.250  0.273  0.885  1.0
  O  O11  1  0.750  0.047  0.922  1.0
  O  O12  1  0.750  0.227  0.385  1.0
  O  O13  1  0.250  0.773  0.615  1.0
  O  O14  1  0.250  0.953  0.078  1.0
  O  O15  1  0.750  0.547  0.578  1.0
  F  F16  1  0.483  0.541  0.269  1.0
  F  F17  1  0.023  0.832  0.423  1.0
  F  F18  1  0.523  0.168  0.577  1.0
  F  F19  1  0.477  0.332  0.076  1.0
  F  F20  1  0.523  0.668  0.923  1.0
  F  F21  1  0.017  0.541  0.269  1.0
  F  F22  1  0.983  0.459  0.731  1.0
  F  F23  1  0.483  0.041  0.231  1.0
  F  F24  1  0.023  0.332  0.076  1.0
  F  F25  1  0.017  0.041  0.231  1.0
  F  F26  1  0.983  0.959  0.769  1.0
  F  F27  1  0.977  0.168  0.577  1.0
  F  F28  1  0.977  0.668  0.923  1.0
  F  F29  1  0.477  0.832  0.423  1.0
  F  F30  1  0.517  0.459  0.731  1.0
  F  F31  1  0.517  0.959  0.769  1.0
[/CIF]
.