Materials Data on CS4N2(OF)3 by Materials Project

Abstract

N2S3CF3SO3 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four fluoroform molecules, four sulfur trioxide molecules, and four N2S3 clusters. In each N2S3 cluster, there are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two S atoms. There is one shorter (1.58 Å) and one longer (1.60 Å) N–S bond length. There are three inequivalent S sites. In the first S site, S is bonded in a distorted single-bond geometry to one N3+ atom. In the second S site, S is bonded in a distorted single-bond geometry to one N3+ atom. In the third S site, S is bonded in a water-like geometry to two N3+ atoms.