Materials Data on C2SNOF by Materials Project

Abstract

C2NSOF crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four fluorocarbonyl thiocyanate molecules. there are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.17 Å. The C–S bond length is 1.69 Å. In the second C4+ site, C4+ is bonded in a distorted bent 120 degrees geometry to one S2-, one O2-, and one F1- atom. The C–S bond length is 1.78 Å. The C–O bond length is 1.19 Å. The C–F bond length is 1.36 Å. N3- is bonded in a single-bond geometry to one C4+ atom. S2- is bonded in a distorted trigonal bipyramidal geometry to two C4+ atoms. O2- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.