DOE OSTI2020
NSF3 is Cubane-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four amino-sulfur trifluoride molecules. N5+ is bonded in a single-bond geometry to one S2- atom. The N–S bond length is 1.43 Å. S2- is bonded in a distorted trigonal pyramidal geometry to one N5+ and three F1- atoms. All S–F bond lengths are 1.59 Å. There are two 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.