Materials Data on C2SF6 by Materials Project
CF3SCF3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and two SCF3 clusters. In each SCF3 cluster, C4+ is bonded in a distorted bent 120 degrees geometry to one C4+ and one S2- atom. The C–C bond length is 1.34 Å. The C–S bond length is 1.85 Å. S2- is bonded in a distorted T-shaped geometry to one C4+ and three F1- atoms. There are a spread of S–F bond distances ranging from 1.60–1.73 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the second F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the third F1- site, F1- is bonded in a single-bond geometry to one S2- atom.