ZrSOCl6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ZrSOCl6 clusters. Zr(1) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms to form edge-sharing ZrCl5O octahedra. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one Cl(5), and one Cl(6) atom. O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one S(1) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Zr(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one S(1) atom.
ZrSOCl6 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two ZrSOCl6 clusters. Zr(1) is bonded to one O(1), one Cl(1), one Cl(3), one Cl(4), and two equivalent Cl(2) atoms to form edge-sharing ZrCl5O octahedra. The Zr(1)-O(1) bond length is 2.37 Å. The Zr(1)-Cl(1) bond length is 2.36 Å. The Zr(1)-Cl(3) bond length is 2.39 Å. The Zr(1)-Cl(4) bond length is 2.38 Å. There is one shorter (2.62 Å) and one longer (2.64 Å) Zr(1)-Cl(2) bond length. S(1) is bonded in a trigonal non-coplanar geometry to one O(1), one Cl(5), and one Cl(6) atom. The S(1)-O(1) bond length is 1.48 Å. The S(1)-Cl(5) bond length is 2.07 Å. The S(1)-Cl(6) bond length is 2.06 Å. O(1) is bonded in a bent 150 degrees geometry to one Zr(1) and one S(1) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Zr(1) atom. In the second Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Zr(1) atoms. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fifth Cl site, Cl(5) is bonded in a single-bond geometry to one S(1) atom. In the sixth Cl site, Cl(6) is bonded in a single-bond geometry to one S(1) atom.