Materials Data on CrH6C3(S2N)3 by Materials Project

Abstract

CrC3H6(NS2)3 crystallizes in the trigonal R-3 space group. The structure is zero-dimensional and consists of six CrC3H6(NS2)3 clusters. Cr3+ is bonded in a distorted octahedral geometry to six S2- atoms. There are three shorter (2.40 Å) and three longer (2.41 Å) Cr–S bond lengths. C4+ is bonded in a distorted trigonal planar geometry to one N3- and two S2- atoms. The C–N bond length is 1.33 Å. Both C–S bond lengths are 1.71 Å. N3- is bonded in a trigonal planar geometry to one C4+ and two H1+ atoms. Both N–H bond lengths are 1.02 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in an L-shaped geometry to one Cr3+ and one C4+ atom. In the second S2- site, S2- is bonded in an L-shaped geometry to one Cr3+ and one C4+ atom.