Materials Data on C2S(OF)4 by Materials Project

Abstract

CF3FS(O2)OCO crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules and four FS(O2)OCO clusters. In each FS(O2)OCO cluster, C4+ is bonded in a trigonal planar geometry to two O2- and one F1- atom. There is one shorter (1.19 Å) and one longer (1.36 Å) C–O bond length. The C–F bond length is 1.34 Å. S4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is two shorter (1.43 Å) and one longer (1.68 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 bent 120 degrees geometry to one C4+ and one S4+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one S4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.