The structure described by CS2(NCl)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four CS2(NCl)3 clusters. In two of the CS2(NCl)3 clusters, C(1) is bonded in a trigonal planar geometry to one N(4), one N(6), and one Cl(6) atom. There are three inequivalent N sites. In the first N site, N(3) is bonded in a bent 120 degrees geometry to one S(1) and one S(3) atom. In the second N site, N(4) is bonded in a bent 120 degrees geometry to one C(1) and one S(1) atom. In the third N site, N(6) is bonded in a bent 120 degrees geometry to one C(1) and one S(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one N(3), one N(4), and one Cl(5) atom. In the second S site, S(3) is bonded in a trigonal non-coplanar geometry to one N(3), one N(6), and one Cl(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one S(3) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one S(1) atom. In two of the CS2(NCl)3 clusters, C(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one Cl(4) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(2) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(2) and one S(4) atom. In the third N site, N(5) is bonded in a bent 120 degrees geometry to one S(2) and one S(4) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a trigonal non-coplanar geometry to one N(1), one N(5), and one Cl(3) atom. In the second S site, S(4) is bonded in a trigonal non-coplanar geometry to one N(2), one N(5), and one Cl(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one S(4) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one S(2) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF file [CIF]
data_CS2(NCl)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.716
_cell_length_b   9.658
_cell_length_c   11.983
_cell_angle_alpha   85.224
_cell_angle_beta   77.875
_cell_angle_gamma   76.001
_symmetry_Int_Tables_number   1
_cell_volume   846.648
_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  0.746  0.330  0.626  1.0
  C  C1  1  0.740  0.900  0.168  1.0
  C  C2  1  0.260  0.100  0.832  1.0
  C  C3  1  0.254  0.670  0.374  1.0
  S  S4  1  0.805  0.579  0.636  1.0
  S  S5  1  0.035  0.334  0.893  1.0
  S  S6  1  0.195  0.421  0.364  1.0
  S  S7  1  0.965  0.666  0.107  1.0
  S  S8  1  0.522  0.481  0.783  1.0
  S  S9  1  0.699  0.806  0.984  1.0
  S  S10  1  0.478  0.519  0.217  1.0
  S  S11  1  0.301  0.194  0.016  1.0
  N  N12  1  0.878  0.797  0.191  1.0
  N  N13  1  0.346  0.077  0.919  1.0
  N  N14  1  0.337  0.415  0.242  1.0
  N  N15  1  0.157  0.576  0.419  1.0
  N  N16  1  0.834  0.660  0.020  1.0
  N  N17  1  0.166  0.340  0.980  1.0
  N  N18  1  0.122  0.203  0.809  1.0
  N  N19  1  0.843  0.424  0.581  1.0
  N  N20  1  0.603  0.337  0.711  1.0
  N  N21  1  0.654  0.923  0.081  1.0
  N  N22  1  0.397  0.663  0.289  1.0
  N  N23  1  0.663  0.585  0.758  1.0
  Cl  Cl24  1  0.708  0.417  0.296  1.0
  Cl  Cl25  1  0.856  0.899  0.841  1.0
  Cl  Cl26  1  0.793  0.269  0.993  1.0
  Cl  Cl27  1  0.207  0.731  0.007  1.0
  Cl  Cl28  1  0.349  0.976  0.726  1.0
  Cl  Cl29  1  0.144  0.101  0.159  1.0
  Cl  Cl30  1  0.292  0.583  0.704  1.0
  Cl  Cl31  1  0.339  0.281  0.480  1.0
  Cl  Cl32  1  0.651  0.024  0.274  1.0
  Cl  Cl33  1  0.823  0.164  0.565  1.0
  Cl  Cl34  1  0.177  0.836  0.435  1.0
  Cl  Cl35  1  0.661  0.719  0.520  1.0
[/CIF]
.
The structure described by CS2(NCl)3 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four CS2(NCl)3 clusters. In two of the CS2(NCl)3 clusters, C(1) is bonded in a trigonal planar geometry to one N(4), one N(6), and one Cl(6) atom. There are three inequivalent N sites. In the first N site, N(3) is bonded in a bent 120 degrees geometry to one S(1) and one S(3) atom. In the second N site, N(4) is bonded in a bent 120 degrees geometry to one C(1) and one S(1) atom. In the third N site, N(6) is bonded in a bent 120 degrees geometry to one C(1) and one S(3) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one N(3), one N(4), and one Cl(5) atom. In the second S site, S(3) is bonded in a trigonal non-coplanar geometry to one N(3), one N(6), and one Cl(1) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(6) is bonded in a single-bond geometry to one C(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one S(3) atom. In the third Cl site, Cl(5) is bonded in a single-bond geometry to one S(1) atom. In two of the CS2(NCl)3 clusters, C(2) is bonded in a trigonal planar geometry to one N(1), one N(2), and one Cl(4) atom. There are three inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one C(2) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(2) and one S(4) atom. In the third N site, N(5) is bonded in a bent 120 degrees geometry to one S(2) and one S(4) atom. There are two inequivalent S sites. In the first S site, S(2) is bonded in a trigonal non-coplanar geometry to one N(1), one N(5), and one Cl(3) atom. In the second S site, S(4) is bonded in a trigonal non-coplanar geometry to one N(2), one N(5), and one Cl(2) atom. There are three inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one S(4) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one S(2) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one C(2) atom. is represented by the CIF file [CIF]
data_CS2(NCl)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.716
_cell_length_b   9.658
_cell_length_c   11.983
_cell_angle_alpha   85.224
_cell_angle_beta   77.875
_cell_angle_gamma   76.001
_symmetry_Int_Tables_number   1
_cell_volume   846.648
_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  0.746  0.330  0.626  1.0
  C  C1  1  0.740  0.900  0.168  1.0
  C  C2  1  0.260  0.100  0.832  1.0
  C  C3  1  0.254  0.670  0.374  1.0
  S  S4  1  0.805  0.579  0.636  1.0
  S  S5  1  0.035  0.334  0.893  1.0
  S  S6  1  0.195  0.421  0.364  1.0
  S  S7  1  0.965  0.666  0.107  1.0
  S  S8  1  0.522  0.481  0.783  1.0
  S  S9  1  0.699  0.806  0.984  1.0
  S  S10  1  0.478  0.519  0.217  1.0
  S  S11  1  0.301  0.194  0.016  1.0
  N  N12  1  0.878  0.797  0.191  1.0
  N  N13  1  0.346  0.077  0.919  1.0
  N  N14  1  0.337  0.415  0.242  1.0
  N  N15  1  0.157  0.576  0.419  1.0
  N  N16  1  0.834  0.660  0.020  1.0
  N  N17  1  0.166  0.340  0.980  1.0
  N  N18  1  0.122  0.203  0.809  1.0
  N  N19  1  0.843  0.424  0.581  1.0
  N  N20  1  0.603  0.337  0.711  1.0
  N  N21  1  0.654  0.923  0.081  1.0
  N  N22  1  0.397  0.663  0.289  1.0
  N  N23  1  0.663  0.585  0.758  1.0
  Cl  Cl24  1  0.708  0.417  0.296  1.0
  Cl  Cl25  1  0.856  0.899  0.841  1.0
  Cl  Cl26  1  0.793  0.269  0.993  1.0
  Cl  Cl27  1  0.207  0.731  0.007  1.0
  Cl  Cl28  1  0.349  0.976  0.726  1.0
  Cl  Cl29  1  0.144  0.101  0.159  1.0
  Cl  Cl30  1  0.292  0.583  0.704  1.0
  Cl  Cl31  1  0.339  0.281  0.480  1.0
  Cl  Cl32  1  0.651  0.024  0.274  1.0
  Cl  Cl33  1  0.823  0.164  0.565  1.0
  Cl  Cl34  1  0.177  0.836  0.435  1.0
  Cl  Cl35  1  0.661  0.719  0.520  1.0
[/CIF]
.