The structure described by CNCl is alpha As structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 2,4,6-trichloro-1,3,5-triazin-1-ium molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent N(2) and one Cl(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one Cl(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent C(2) atoms. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) 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(2) atom. is represented by the CIF card [CIF]
data_CNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.458
_cell_length_b   7.458
_cell_length_c   7.642
_cell_angle_alpha   64.670
_cell_angle_beta   64.670
_cell_angle_gamma   60.173
_symmetry_Int_Tables_number   1
_cell_volume   320.537
_cell_formula_units_Z   6
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  0.847  0.153  0.250  1.0
  C  C1  1  0.501  0.322  0.258  1.0
  C  C2  1  0.499  0.678  0.742  1.0
  C  C3  1  0.678  0.499  0.242  1.0
  C  C4  1  0.153  0.847  0.750  1.0
  C  C5  1  0.322  0.501  0.758  1.0
  N  N6  1  0.508  0.492  0.750  1.0
  N  N7  1  0.492  0.508  0.250  1.0
  N  N8  1  0.138  0.673  0.759  1.0
  N  N9  1  0.862  0.327  0.241  1.0
  N  N10  1  0.673  0.138  0.259  1.0
  N  N11  1  0.327  0.862  0.741  1.0
  Cl  Cl12  1  0.075  0.925  0.250  1.0
  Cl  Cl13  1  0.925  0.075  0.750  1.0
  Cl  Cl14  1  0.319  0.270  0.767  1.0
  Cl  Cl15  1  0.730  0.681  0.733  1.0
  Cl  Cl16  1  0.681  0.730  0.233  1.0
  Cl  Cl17  1  0.270  0.319  0.267  1.0
[/CIF]
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The structure described by CNCl is alpha As structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four 2,4,6-trichloro-1,3,5-triazin-1-ium molecules. There are two inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to two equivalent N(2) and one Cl(1) atom. In the second C site, C(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one Cl(2) atom. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to two equivalent C(2) atoms. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(1) and one C(2) 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(2) atom. is represented by the CIF card [CIF]
data_CNCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.458
_cell_length_b   7.458
_cell_length_c   7.642
_cell_angle_alpha   64.670
_cell_angle_beta   64.670
_cell_angle_gamma   60.173
_symmetry_Int_Tables_number   1
_cell_volume   320.537
_cell_formula_units_Z   6
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  0.847  0.153  0.250  1.0
  C  C1  1  0.501  0.322  0.258  1.0
  C  C2  1  0.499  0.678  0.742  1.0
  C  C3  1  0.678  0.499  0.242  1.0
  C  C4  1  0.153  0.847  0.750  1.0
  C  C5  1  0.322  0.501  0.758  1.0
  N  N6  1  0.508  0.492  0.750  1.0
  N  N7  1  0.492  0.508  0.250  1.0
  N  N8  1  0.138  0.673  0.759  1.0
  N  N9  1  0.862  0.327  0.241  1.0
  N  N10  1  0.673  0.138  0.259  1.0
  N  N11  1  0.327  0.862  0.741  1.0
  Cl  Cl12  1  0.075  0.925  0.250  1.0
  Cl  Cl13  1  0.925  0.075  0.750  1.0
  Cl  Cl14  1  0.319  0.270  0.767  1.0
  Cl  Cl15  1  0.730  0.681  0.733  1.0
  Cl  Cl16  1  0.681  0.730  0.233  1.0
  Cl  Cl17  1  0.270  0.319  0.267  1.0
[/CIF]
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