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.
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. The C(1)-N(4) bond length is 1.33 Å. The C(1)-N(6) bond length is 1.33 Å. The C(1)-Cl(6) bond length is 1.73 Å. 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. The N(3)-S(1) bond length is 1.62 Å. The N(3)-S(3) bond length is 1.61 Å. In the second N site, N(4) is bonded in a bent 120 degrees geometry to one C(1) and one S(1) atom. The N(4)-S(1) bond length is 1.62 Å. In the third N site, N(6) is bonded in a bent 120 degrees geometry to one C(1) and one S(3) atom. The N(6)-S(3) bond length is 1.62 Å. 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. The S(1)-Cl(5) bond length is 2.15 Å. 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. The S(3)-Cl(1) bond length is 2.17 Å. 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. The C(2)-N(1) bond length is 1.33 Å. The C(2)-N(2) bond length is 1.33 Å. The C(2)-Cl(4) bond length is 1.72 Å. 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. The N(1)-S(2) bond length is 1.61 Å. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one C(2) and one S(4) atom. The N(2)-S(4) bond length is 1.62 Å. In the third N site, N(5) is bonded in a bent 120 degrees geometry to one S(2) and one S(4) atom. The N(5)-S(2) bond length is 1.61 Å. The N(5)-S(4) bond length is 1.63 Å. 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. The S(2)-Cl(3) bond length is 2.19 Å. 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. The S(4)-Cl(2) bond length is 2.15 Å. 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.