Materials Data on C10S(Cl4O)3 by Materials Project

(CCl)8CCl2CSO3Cl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-two chloromethane molecules, four dichloromethane molecules, and four CSO3Cl2 clusters. In each CSO3Cl2 cluster, C2+ is bonded in a bent 120 degrees geometry to one O2- and one Cl1- atom. The C–O bond length is 1.45 Å. The C–Cl bond length is 1.75 Å. S2- is bonded in a distorted tetrahedral geometry to three O2- and one Cl1- atom. There is two shorter (1.43 Å) and one longer (1.62 Å) S–O bond length. The S–Cl bond length is 2.04 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S2- atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one C2+ and one S2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one S2- atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C2+ atom.