The crystal structure described by NOClF4 is Tetraauricupride structured and crystallizes in the tetragonal I4cm space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four ClF4 clusters. In each ClF4 cluster, Cl(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(1) is bonded in a single-bond geometry to one Cl(1) atom. is represented by the CIF card [CIF]
data_NClOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.019
_cell_length_b   7.019
_cell_length_c   7.019
_cell_angle_alpha   127.922
_cell_angle_beta   127.922
_cell_angle_gamma   76.751
_symmetry_Int_Tables_number   1
_cell_volume   209.003
_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
  N  N0  1  0.329  0.329  0.000  1.0
  N  N1  1  0.829  0.829  0.000  1.0
  Cl  Cl2  1  0.500  0.000  0.500  1.0
  Cl  Cl3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.729  0.729  0.000  1.0
  O  O5  1  0.229  0.229  0.000  1.0
  F  F6  1  0.971  0.756  0.500  1.0
  F  F7  1  0.535  0.035  0.813  1.0
  F  F8  1  0.256  0.471  0.500  1.0
  F  F9  1  0.035  0.222  0.500  1.0
  F  F10  1  0.471  0.971  0.215  1.0
  F  F11  1  0.722  0.535  0.500  1.0
  F  F12  1  0.756  0.256  0.785  1.0
  F  F13  1  0.222  0.722  0.187  1.0
[/CIF]
.
The crystal structure described by NOClF4 is Tetraauricupride structured and crystallizes in the tetragonal I4cm space group. The structure is zero-dimensional and consists of four nitroxyl molecules and four ClF4 clusters. In each ClF4 cluster, Cl(1) is bonded in a rectangular see-saw-like geometry to two equivalent F(1) and two equivalent F(2) atoms. There are two inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Cl(1) atom. In the second F site, F(1) is bonded in a single-bond geometry to one Cl(1) atom. is represented by the CIF card [CIF]
data_NClOF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.019
_cell_length_b   7.019
_cell_length_c   7.019
_cell_angle_alpha   127.922
_cell_angle_beta   127.922
_cell_angle_gamma   76.751
_symmetry_Int_Tables_number   1
_cell_volume   209.003
_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
  N  N0  1  0.329  0.329  0.000  1.0
  N  N1  1  0.829  0.829  0.000  1.0
  Cl  Cl2  1  0.500  0.000  0.500  1.0
  Cl  Cl3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.729  0.729  0.000  1.0
  O  O5  1  0.229  0.229  0.000  1.0
  F  F6  1  0.971  0.756  0.500  1.0
  F  F7  1  0.535  0.035  0.813  1.0
  F  F8  1  0.256  0.471  0.500  1.0
  F  F9  1  0.035  0.222  0.500  1.0
  F  F10  1  0.471  0.971  0.215  1.0
  F  F11  1  0.722  0.535  0.500  1.0
  F  F12  1  0.756  0.256  0.785  1.0
  F  F13  1  0.222  0.722  0.187  1.0
[/CIF]
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