Materials Data on H12OsN5Cl3O by Materials Project

Abstract

OsN5H12OClCl2 crystallizes in the tetragonal I4mm space group. The structure is zero-dimensional and consists of four hydrochloric acid molecules and two OsN5H12OCl clusters. In each OsN5H12OCl cluster, Os8+ is bonded in an octahedral geometry to five N3- and one Cl1- atom. There is one shorter (1.75 Å) and four longer (2.14 Å) Os–N bond length. The Os–Cl bond length is 2.33 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a linear geometry to one Os8+ and one O2- atom. The N–O bond length is 1.18 Å. In the second N3- site, N3- is bonded in a trigonal non-coplanar geometry to one Os8+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. O2- is bonded in a single-bond geometry to one N3- atom. Cl1- is bonded in a single-bond geometry to one Os8+ atom.