Materials Data on C2SClO4F3 by Materials Project

Abstract

CF3SO3C(O)Cl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight fluoroform molecules and eight CSO4Cl clusters. In each CSO4Cl cluster, C4+ is bonded in a distorted trigonal planar geometry to two O2- and one Cl1- atom. There is one shorter (1.20 Å) and one longer (1.39 Å) C–O bond length. The C–Cl bond length is 1.73 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.66 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one C4+ and one S4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.