Materials Data on IrN4Cl3O by Materials Project

Abstract

IrN3OClNCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four dichloramine molecules and four IrN3OCl ribbons oriented in the (1, 0, 0) direction. In each IrN3OCl ribbon, Ir3+ is bonded in a tetrahedral geometry to three N+0.50+ and one O2- atom. There is one shorter (1.72 Å) and two longer (1.81 Å) Ir–N bond length. The Ir–O bond length is 1.80 Å. There are two inequivalent N+0.50+ sites. In the first N+0.50+ site, N+0.50+ is bonded in a single-bond geometry to one Ir3+ atom. In the second N+0.50+ site, N+0.50+ is bonded in a bent 150 degrees geometry to one Ir3+ and one Cl1- atom. The N–Cl bond length is 1.86 Å. O2- is bonded in a single-bond geometry to one Ir3+ atom. Cl1- is bonded in a linear geometry to two equivalent N+0.50+ atoms.