The crystal structure described by KCBr(NO2)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one Br(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one O(3), and one O(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one O(1), and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent K(1) and one N(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCBr(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   7.598
_cell_length_c   7.471
_cell_angle_alpha   116.148
_cell_angle_beta   103.078
_cell_angle_gamma   97.460
_symmetry_Int_Tables_number   1
_cell_volume   309.346
_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
  K  K0  1  0.332  0.278  0.127  1.0
  K  K1  1  0.668  0.722  0.873  1.0
  C  C2  1  0.961  0.250  0.536  1.0
  C  C3  1  0.039  0.750  0.464  1.0
  Br  Br4  1  0.812  0.208  0.707  1.0
  Br  Br5  1  0.188  0.792  0.293  1.0
  N  N6  1  0.844  0.173  0.324  1.0
  N  N7  1  0.156  0.827  0.676  1.0
  N  N8  1  0.182  0.359  0.626  1.0
  N  N9  1  0.818  0.641  0.374  1.0
  O  O10  1  0.718  0.582  0.473  1.0
  O  O11  1  0.721  0.597  0.186  1.0
  O  O12  1  0.360  0.915  0.737  1.0
  O  O13  1  0.640  0.085  0.263  1.0
  O  O14  1  0.282  0.418  0.527  1.0
  O  O15  1  0.935  0.183  0.195  1.0
  O  O16  1  0.279  0.403  0.814  1.0
  O  O17  1  0.065  0.817  0.805  1.0
[/CIF]
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The crystal structure described by KCBr(NO2)2 crystallizes in the triclinic P-1 space group. K(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. C(1) is bonded in a trigonal planar geometry to one N(1), one N(2), and one Br(1) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one C(1), one O(3), and one O(4) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one C(1), one O(1), and one O(2) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(2) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent K(1) and one N(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent K(1) and one N(1) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_KCBr(NO2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.459
_cell_length_b   7.598
_cell_length_c   7.471
_cell_angle_alpha   116.148
_cell_angle_beta   103.078
_cell_angle_gamma   97.460
_symmetry_Int_Tables_number   1
_cell_volume   309.346
_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
  K  K0  1  0.332  0.278  0.127  1.0
  K  K1  1  0.668  0.722  0.873  1.0
  C  C2  1  0.961  0.250  0.536  1.0
  C  C3  1  0.039  0.750  0.464  1.0
  Br  Br4  1  0.812  0.208  0.707  1.0
  Br  Br5  1  0.188  0.792  0.293  1.0
  N  N6  1  0.844  0.173  0.324  1.0
  N  N7  1  0.156  0.827  0.676  1.0
  N  N8  1  0.182  0.359  0.626  1.0
  N  N9  1  0.818  0.641  0.374  1.0
  O  O10  1  0.718  0.582  0.473  1.0
  O  O11  1  0.721  0.597  0.186  1.0
  O  O12  1  0.360  0.915  0.737  1.0
  O  O13  1  0.640  0.085  0.263  1.0
  O  O14  1  0.282  0.418  0.527  1.0
  O  O15  1  0.935  0.183  0.195  1.0
  O  O16  1  0.279  0.403  0.814  1.0
  O  O17  1  0.065  0.817  0.805  1.0
[/CIF]
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