Materials Data on CrPdBr4N5Cl by Materials Project

Abstract

PdCrN5Cl(Br)4 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of sixteen hydrobromic acid molecules, four palladium molecules, and four CrN5Cl clusters. In each CrN5Cl cluster, Cr6+ is bonded in a 4-coordinate geometry to three N3- and one Cl1- atom. There is two shorter (1.62 Å) and one longer (2.21 Å) Cr–N bond length. The Cr–Cl bond length is 2.16 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a single-bond geometry to one Cr6+ atom. In the second N3- site, N3- is bonded in a T-shaped geometry to one Cr6+ and two equivalent N3- atoms. Both N–N bond lengths are 1.20 Å. In the third N3- site, N3- is bonded in a 1-coordinate geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Cr6+ atom.