Materials Data on OsBrN5Cl2O by Materials Project

Abstract

OsN5OCl2Br crystallizes in the tetragonal I4mm space group. The structure is three-dimensional and consists of two hydrobromic acid molecules and one OsN5OCl2 framework. In the OsN5OCl2 framework, Os6+ is bonded in a square pyramidal geometry to five N+1.40- atoms. There is one shorter (1.88 Å) and four longer (1.93 Å) Os–N bond length. There are two inequivalent N+1.40- sites. In the first N+1.40- site, N+1.40- is bonded in a linear geometry to one Os6+, one O2-, and four equivalent Cl1- atoms. The N–O bond length is 1.15 Å. All N–Cl bond lengths are 3.18 Å. In the second N+1.40- site, N+1.40- is bonded in a distorted single-bond geometry to one Os6+ and four equivalent Cl1- atoms. There are two shorter (3.15 Å) and two longer (3.17 Å) N–Cl bond lengths. O2- is bonded in a single-bond geometry to one N+1.40- and four equivalent Cl1- atoms. All O–Cl bond lengths are 3.34 Å. Cl1- is bonded in a 12-coordinate geometry to ten N+1.40- and two equivalent O2- atoms.