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Materials Data on Ru(NO2)6 by Materials Project

(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.

36 MATERIALS SCIENCE↗

Materials Data on K4Ru(NO2)6 by Materials Project

Ru(K2(NO2)3)2 crystallizes in the trigonal R-3 space group. The structure is three-dimensional and consists of three rutenio molecules and one K2(NO2)3 framework. In the K2(NO2)3 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.25 Å. In the second K1+ site, K1+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are three shorter (2.89 Å) and six longer (2.90 Å) K–O bond lengths. N+2.33+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N+2.33+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N+2.33+ atom.

36 MATERIALS SCIENCE↗