The material described by Cr(N2F)2ClO4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is zero-dimensional and consists of four hypochlorous acid;trihydrate molecules and four Cr(N2F)2 clusters. In each Cr(N2F)2 cluster, Cr(1) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent F(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one Cr(1) atom. In the second N site, N(1) is bonded in a single-bond geometry to one Cr(1) atom. F(1) is bonded in a single-bond geometry to one Cr(1) atom. is represented by the CIF card [CIF]
data_CrN4Cl(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.190
_cell_length_b   10.190
_cell_length_c   10.190
_cell_angle_alpha   136.910
_cell_angle_beta   136.910
_cell_angle_gamma   62.577
_symmetry_Int_Tables_number   1
_cell_volume   487.821
_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
  Cr  Cr0  1  0.960  0.460  0.500  1.0
  Cr  Cr1  1  0.210  0.210  0.000  1.0
  N  N2  1  0.199  0.945  0.746  1.0
  N  N3  1  0.199  0.453  0.254  1.0
  N  N4  1  0.203  0.449  0.754  1.0
  N  N5  1  0.695  0.449  0.246  1.0
  N  N6  1  0.866  0.542  0.676  1.0
  N  N7  1  0.866  0.190  0.324  1.0
  N  N8  1  0.940  0.116  0.824  1.0
  N  N9  1  0.292  0.116  0.176  1.0
  Cl  Cl10  1  0.420  0.920  0.500  1.0
  Cl  Cl11  1  0.670  0.670  0.000  1.0
  O  O12  1  0.476  0.127  0.651  1.0
  O  O13  1  0.476  0.825  0.349  1.0
  O  O14  1  0.575  0.726  0.849  1.0
  O  O15  1  0.877  0.726  0.151  1.0
  O  O16  1  0.625  0.466  0.841  1.0
  O  O17  1  0.625  0.784  0.159  1.0
  O  O18  1  0.534  0.875  0.659  1.0
  O  O19  1  0.216  0.875  0.341  1.0
  F  F20  1  0.022  0.712  0.690  1.0
  F  F21  1  0.022  0.332  0.310  1.0
  F  F22  1  0.082  0.272  0.810  1.0
  F  F23  1  0.462  0.272  0.190  1.0
[/CIF]
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The material described by Cr(N2F)2ClO4 is Silicon tetrafluoride-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is zero-dimensional and consists of four hypochlorous acid;trihydrate molecules and four Cr(N2F)2 clusters. In each Cr(N2F)2 cluster, Cr(1) is bonded in a distorted octahedral geometry to two equivalent N(1), two equivalent N(2), and two equivalent F(1) atoms. There are two inequivalent N sites. In the first N site, N(2) is bonded in a single-bond geometry to one Cr(1) atom. In the second N site, N(1) is bonded in a single-bond geometry to one Cr(1) atom. F(1) is bonded in a single-bond geometry to one Cr(1) atom. is represented by the CIF card [CIF]
data_CrN4Cl(O2F)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.190
_cell_length_b   10.190
_cell_length_c   10.190
_cell_angle_alpha   136.910
_cell_angle_beta   136.910
_cell_angle_gamma   62.577
_symmetry_Int_Tables_number   1
_cell_volume   487.821
_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
  Cr  Cr0  1  0.960  0.460  0.500  1.0
  Cr  Cr1  1  0.210  0.210  0.000  1.0
  N  N2  1  0.199  0.945  0.746  1.0
  N  N3  1  0.199  0.453  0.254  1.0
  N  N4  1  0.203  0.449  0.754  1.0
  N  N5  1  0.695  0.449  0.246  1.0
  N  N6  1  0.866  0.542  0.676  1.0
  N  N7  1  0.866  0.190  0.324  1.0
  N  N8  1  0.940  0.116  0.824  1.0
  N  N9  1  0.292  0.116  0.176  1.0
  Cl  Cl10  1  0.420  0.920  0.500  1.0
  Cl  Cl11  1  0.670  0.670  0.000  1.0
  O  O12  1  0.476  0.127  0.651  1.0
  O  O13  1  0.476  0.825  0.349  1.0
  O  O14  1  0.575  0.726  0.849  1.0
  O  O15  1  0.877  0.726  0.151  1.0
  O  O16  1  0.625  0.466  0.841  1.0
  O  O17  1  0.625  0.784  0.159  1.0
  O  O18  1  0.534  0.875  0.659  1.0
  O  O19  1  0.216  0.875  0.341  1.0
  F  F20  1  0.022  0.712  0.690  1.0
  F  F21  1  0.022  0.332  0.310  1.0
  F  F22  1  0.082  0.272  0.810  1.0
  F  F23  1  0.462  0.272  0.190  1.0
[/CIF]
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