Materials Data on Ir2Os(NCl)10 by Materials Project

Abstract

OsCl6(IrN3Cl2)2(N2)2 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of two hexachloroosmium molecules, four nitrogen molecules, and four IrN3Cl2 clusters. In each IrN3Cl2 cluster, Ir4+ is bonded in a tetrahedral geometry to three N+0.60- and one Cl1- atom. There is two shorter (1.73 Å) and one longer (2.00 Å) Ir–N bond length. The Ir–Cl bond length is 2.27 Å. There are two inequivalent N+0.60- sites. In the first N+0.60- site, N+0.60- is bonded in a bent 120 degrees geometry to one Ir4+ and one Cl1- atom. The N–Cl bond length is 1.67 Å. In the second N+0.60- site, N+0.60- is bonded in a single-bond geometry to one Ir4+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one N+0.60- atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Ir4+ atom.