The material described by C4NCl2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two tetrachloroterephthalonitrile molecules. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(4), and one Cl(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. In the third C site, C(3) is bonded in a linear geometry to one C(2) and one N(1) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(2), and one Cl(2) atom. N(1) is bonded in a single-bond geometry to one C(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_C4NCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.690
_cell_length_c   13.351
_cell_angle_alpha   87.585
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.639
_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  0.055  0.323  0.055  1.0
  C  C1  1  0.945  0.677  0.945  1.0
  C  C2  1  0.555  0.677  0.445  1.0
  C  C3  1  0.445  0.323  0.555  1.0
  C  C4  1  0.382  0.564  0.417  1.0
  C  C5  1  0.618  0.436  0.583  1.0
  C  C6  1  0.882  0.436  0.083  1.0
  C  C7  1  0.118  0.564  0.917  1.0
  C  C8  1  0.261  0.628  0.332  1.0
  C  C9  1  0.739  0.372  0.668  1.0
  C  C10  1  0.761  0.372  0.168  1.0
  C  C11  1  0.239  0.628  0.832  1.0
  C  C12  1  0.328  0.387  0.472  1.0
  C  C13  1  0.672  0.613  0.528  1.0
  C  C14  1  0.828  0.613  0.028  1.0
  C  C15  1  0.172  0.387  0.972  1.0
  N  N16  1  0.159  0.678  0.263  1.0
  N  N17  1  0.841  0.322  0.737  1.0
  N  N18  1  0.659  0.322  0.237  1.0
  N  N19  1  0.341  0.678  0.763  1.0
  Cl  Cl20  1  0.119  0.110  0.123  1.0
  Cl  Cl21  1  0.881  0.890  0.877  1.0
  Cl  Cl22  1  0.619  0.890  0.377  1.0
  Cl  Cl23  1  0.381  0.110  0.623  1.0
  Cl  Cl24  1  0.120  0.252  0.436  1.0
  Cl  Cl25  1  0.880  0.748  0.564  1.0
  Cl  Cl26  1  0.620  0.748  0.064  1.0
  Cl  Cl27  1  0.380  0.252  0.936  1.0
[/CIF]
.
The material described by C4NCl2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two tetrachloroterephthalonitrile molecules. There are four inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(4), and one Cl(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one C(1), one C(3), and one C(4) atom. In the third C site, C(3) is bonded in a linear geometry to one C(2) and one N(1) atom. In the fourth C site, C(4) is bonded in a trigonal planar geometry to one C(1), one C(2), and one Cl(2) atom. N(1) is bonded in a single-bond geometry to one C(3) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one C(4) atom. is represented by the CIF file [CIF]
data_C4NCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.484
_cell_length_b   6.690
_cell_length_c   13.351
_cell_angle_alpha   87.585
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   578.639
_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  0.055  0.323  0.055  1.0
  C  C1  1  0.945  0.677  0.945  1.0
  C  C2  1  0.555  0.677  0.445  1.0
  C  C3  1  0.445  0.323  0.555  1.0
  C  C4  1  0.382  0.564  0.417  1.0
  C  C5  1  0.618  0.436  0.583  1.0
  C  C6  1  0.882  0.436  0.083  1.0
  C  C7  1  0.118  0.564  0.917  1.0
  C  C8  1  0.261  0.628  0.332  1.0
  C  C9  1  0.739  0.372  0.668  1.0
  C  C10  1  0.761  0.372  0.168  1.0
  C  C11  1  0.239  0.628  0.832  1.0
  C  C12  1  0.328  0.387  0.472  1.0
  C  C13  1  0.672  0.613  0.528  1.0
  C  C14  1  0.828  0.613  0.028  1.0
  C  C15  1  0.172  0.387  0.972  1.0
  N  N16  1  0.159  0.678  0.263  1.0
  N  N17  1  0.841  0.322  0.737  1.0
  N  N18  1  0.659  0.322  0.237  1.0
  N  N19  1  0.341  0.678  0.763  1.0
  Cl  Cl20  1  0.119  0.110  0.123  1.0
  Cl  Cl21  1  0.881  0.890  0.877  1.0
  Cl  Cl22  1  0.619  0.890  0.377  1.0
  Cl  Cl23  1  0.381  0.110  0.623  1.0
  Cl  Cl24  1  0.120  0.252  0.436  1.0
  Cl  Cl25  1  0.880  0.748  0.564  1.0
  Cl  Cl26  1  0.620  0.748  0.064  1.0
  Cl  Cl27  1  0.380  0.252  0.936  1.0
[/CIF]
.