The compound described by CBrF2 is black P structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bromodifluoromethane molecules. C(1) is bonded in a distorted water-like geometry to one Br(1), one F(1), and one F(2) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CBrF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.491
_cell_length_b   6.168
_cell_length_c   8.839
_cell_angle_alpha   67.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.564
_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
  C  C0  1  0.403  0.972  0.958  1.0
  C  C1  1  0.597  0.028  0.042  1.0
  C  C2  1  0.903  0.028  0.542  1.0
  C  C3  1  0.097  0.972  0.458  1.0
  Br  Br4  1  0.222  0.676  0.595  1.0
  Br  Br5  1  0.778  0.324  0.405  1.0
  Br  Br6  1  0.722  0.324  0.905  1.0
  Br  Br7  1  0.278  0.676  0.095  1.0
  F  F8  1  0.461  0.961  0.813  1.0
  F  F9  1  0.539  0.039  0.187  1.0
  F  F10  1  0.961  0.039  0.687  1.0
  F  F11  1  0.039  0.961  0.313  1.0
  F  F12  1  0.764  0.853  0.573  1.0
  F  F13  1  0.236  0.147  0.427  1.0
  F  F14  1  0.264  0.147  0.927  1.0
  F  F15  1  0.736  0.853  0.073  1.0
[/CIF]
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The compound described by CBrF2 is black P structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bromodifluoromethane molecules. C(1) is bonded in a distorted water-like geometry to one Br(1), one F(1), and one F(2) atom. Br(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one C(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one C(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CBrF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.491
_cell_length_b   6.168
_cell_length_c   8.839
_cell_angle_alpha   67.756
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   327.564
_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
  C  C0  1  0.403  0.972  0.958  1.0
  C  C1  1  0.597  0.028  0.042  1.0
  C  C2  1  0.903  0.028  0.542  1.0
  C  C3  1  0.097  0.972  0.458  1.0
  Br  Br4  1  0.222  0.676  0.595  1.0
  Br  Br5  1  0.778  0.324  0.405  1.0
  Br  Br6  1  0.722  0.324  0.905  1.0
  Br  Br7  1  0.278  0.676  0.095  1.0
  F  F8  1  0.461  0.961  0.813  1.0
  F  F9  1  0.539  0.039  0.187  1.0
  F  F10  1  0.961  0.039  0.687  1.0
  F  F11  1  0.039  0.961  0.313  1.0
  F  F12  1  0.764  0.853  0.573  1.0
  F  F13  1  0.236  0.147  0.427  1.0
  F  F14  1  0.264  0.147  0.927  1.0
  F  F15  1  0.736  0.853  0.073  1.0
[/CIF]
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