The crystal structure described by B4COCl6 is Tungsten structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three B4COCl6 clusters. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal planar geometry to one B(2), one Cl(1), and one Cl(2) atom. In the second B site, B(2) is bonded in a distorted single-bond geometry to three equivalent B(1) and one C(1) atom. C(1) is bonded in a linear geometry to one B(2) and one O(1) atom. O(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one B(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_B4CCl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   7.163
_cell_length_c   7.163
_cell_angle_alpha   107.533
_cell_angle_beta   107.533
_cell_angle_gamma   107.533
_symmetry_Int_Tables_number   1
_cell_volume   301.565
_cell_formula_units_Z   1
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
  B  B0  1  0.682  0.928  0.682  1.0
  B  B1  1  0.928  0.682  0.682  1.0
  B  B2  1  0.698  0.698  0.698  1.0
  B  B3  1  0.682  0.682  0.928  1.0
  C  C4  1  0.506  0.506  0.506  1.0
  Cl  Cl5  1  0.469  0.915  0.469  1.0
  Cl  Cl6  1  0.878  0.187  0.878  1.0
  Cl  Cl7  1  0.187  0.878  0.878  1.0
  Cl  Cl8  1  0.878  0.878  0.187  1.0
  Cl  Cl9  1  0.469  0.469  0.915  1.0
  Cl  Cl10  1  0.915  0.469  0.469  1.0
  O  O11  1  0.359  0.359  0.359  1.0
[/CIF]
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The crystal structure described by B4COCl6 is Tungsten structured and crystallizes in the trigonal R3m space group. The structure is zero-dimensional and consists of three B4COCl6 clusters. There are two inequivalent B sites. In the first B site, B(1) is bonded in a distorted trigonal planar geometry to one B(2), one Cl(1), and one Cl(2) atom. In the second B site, B(2) is bonded in a distorted single-bond geometry to three equivalent B(1) and one C(1) atom. C(1) is bonded in a linear geometry to one B(2) and one O(1) atom. O(1) is bonded in a single-bond geometry to one C(1) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one B(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one B(1) atom. is represented by the CIF file [CIF]
data_B4CCl6O
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.163
_cell_length_b   7.163
_cell_length_c   7.163
_cell_angle_alpha   107.533
_cell_angle_beta   107.533
_cell_angle_gamma   107.533
_symmetry_Int_Tables_number   1
_cell_volume   301.565
_cell_formula_units_Z   1
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
  B  B0  1  0.682  0.928  0.682  1.0
  B  B1  1  0.928  0.682  0.682  1.0
  B  B2  1  0.698  0.698  0.698  1.0
  B  B3  1  0.682  0.682  0.928  1.0
  C  C4  1  0.506  0.506  0.506  1.0
  Cl  Cl5  1  0.469  0.915  0.469  1.0
  Cl  Cl6  1  0.878  0.187  0.878  1.0
  Cl  Cl7  1  0.187  0.878  0.878  1.0
  Cl  Cl8  1  0.878  0.878  0.187  1.0
  Cl  Cl9  1  0.469  0.469  0.915  1.0
  Cl  Cl10  1  0.915  0.469  0.469  1.0
  O  O11  1  0.359  0.359  0.359  1.0
[/CIF]
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