Materials Data on PdRuBr4N5Cl by Materials Project

Abstract

PdRuN3Br2N2BrBrCl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four bromine chloride molecules, four hydrobromic acid molecules, four nitrogen gas molecules, four palladium on carbon molecules, and four RuN3Br2 clusters. In each RuN3Br2 cluster, Ru6+ is bonded in a trigonal non-coplanar geometry to three N3- atoms. There is one shorter (1.66 Å) and two longer (1.85 Å) Ru–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted bent 120 degrees geometry to one Ru6+ and one Br2+ atom. The N–Br bond length is 1.86 Å. In the second N3- site, N3- is bonded in a single-bond geometry to one Ru6+ atom. Br2+ is bonded in a single-bond geometry to one N3- atom.