Materials Data on RePtN5Cl8O by Materials Project

Abstract

ReCl6PtN3OClN2Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four hexachlororhenium molecules, four N2Cl clusters, and four PtN3OCl clusters. In each N2Cl cluster, N+0.20+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.54 Å. Cl1- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. In each PtN3OCl cluster, Pt2+ is bonded in a 4-coordinate geometry to three N+0.20+ and one Cl1- atom. There is one shorter (1.86 Å) and two longer (2.00 Å) Pt–N bond length. The Pt–Cl bond length is 2.41 Å. There are two inequivalent N+0.20+ sites. In the first N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ atom. In the second N+0.20+ site, N+0.20+ is bonded in a single-bond geometry to one Pt2+ and one O2- atom. The N–O bond length is 1.35 Å. O2- is bonded in a water-like geometry to two equivalent N+0.20+ atoms. Cl1- is bonded in a single-bond geometry to one Pt2+ atom.