Materials Data on K2Ru(NO2)5 by Materials Project
K2RuN4O9NO crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional and consists of four nitroxyl molecules and one K2RuN4O9 framework. In the K2RuN4O9 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of K–O bond distances ranging from 2.68–3.35 Å. In the second K1+ site, K1+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.85–3.35 Å. Ru5+ is bonded in a single-bond geometry to one O2- atom. The Ru–O bond length is 1.80 Å. There are four inequivalent N+2.60+ sites. In the first N+2.60+ site, N+2.60+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the second N+2.60+ site, N+2.60+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.25 Å) N–O bond length. In the third N+2.60+ site, N+2.60+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) N–O bond length. In the fourth N+2.60+ site, N+2.60+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one Ru5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three K1+ and one N+2.60+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N+2.60+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two K1+ and one N+2.60+ atom. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N+2.60+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to two K1+ and one N+2.60+ atom. In the seventh O2- site, O2- is bonded in a 1-coordinate geometry to two K1+ and one N+2.60+ atom. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one N+2.60+ atom. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one N+2.60+ atom.