Materials Data on CSNOF5 by Materials Project

Abstract

CNSOF5 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four pentafluorosulfanyl isocyanate molecules. C4+ is bonded in a linear geometry to one N5+ and one O2- atom. The C–N bond length is 1.23 Å. The C–O bond length is 1.17 Å. N5+ is bonded in a bent 120 degrees geometry to one C4+ and one S2- atom. The N–S bond length is 1.69 Å. S2- is bonded in an octahedral geometry to one N5+ and five F1- atoms. There are a spread of S–F bond distances ranging from 1.60–1.63 Å. O2- is bonded in a single-bond geometry to one C4+ atom. There are five 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. In the fourth F1- site, F1- is bonded in a single-bond geometry to one S2- atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one S2- atom.