Materials Data on Ru(NO2)6 by Materials Project

Abstract

(RuN4O11)2N2(NO)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two ammonia molecules, two nitroxyl molecules, and two RuN4O11 clusters. In each RuN4O11 cluster, Ru4+ is bonded in a distorted see-saw-like geometry to one N+3.33+ and three O2- atoms. The Ru–N bond length is 1.70 Å. There are a spread of Ru–O bond distances ranging from 1.74–2.09 Å. There are four inequivalent N+3.33+ sites. In the first N+3.33+ site, N+3.33+ is bonded in a single-bond geometry to one Ru4+ atom. In the second N+3.33+ site, N+3.33+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.25 Å) and two longer (1.26 Å) N–O bond length. In the third N+3.33+ site, N+3.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.35 Å. In the fourth N+3.33+ site, N+3.33+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.36 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Ru4+ and one O2- atom. The O–O bond length is 2.67 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two O2- atoms. The O–O bond length is 2.85 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one N+3.33+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one N+3.33+ and one O2- atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one N+3.33+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one N+3.33+ atom. In the seventh O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru4+ and one N+3.33+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one N+3.33+ atom. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ru4+ and one N+3.33+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one N+3.33+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one N+3.33+ atom.