Materials Data on C2SNOF by Materials Project

Abstract

C2NSOF crystallizes in the orthorhombic Pca2_1 space group. The structure is zero-dimensional and consists of eight fluoroformyl isothiocyanate 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 1.23 Å. The C–S bond length is 1.54 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to one N3-, one O2-, and one F1- atom. The C–N bond length is 1.37 Å. The C–O bond length is 1.20 Å. The C–F bond length is 1.37 Å. N3- is bonded in a distorted bent 120 degrees geometry to two C4+ atoms. S2- is bonded in a single-bond geometry to one C4+ atom. O2- is bonded in a single-bond geometry to one C4+ atom. F1- is bonded in a single-bond geometry to one C4+ atom.