Materials Data on K4RuC6(N3O)2 by Materials Project

Abstract

Ru(K2C3N3O)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four rutenio molecules and one K2C3N3O framework. In the K2C3N3O framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 7-coordinate geometry to six N3- and one O2- atom. There are a spread of K–N bond distances ranging from 2.88–3.28 Å. The K–O bond length is 2.83 Å. In the second K1+ site, K1+ is bonded to five N3- and one O2- atom to form a mixture of distorted edge and corner-sharing KN5O pentagonal pyramids. There are a spread of K–N bond distances ranging from 2.85–3.09 Å. The K–O bond length is 2.86 Å. There are four inequivalent C+2.67+ sites. In the first C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the second C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the third C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. In the fourth C+2.67+ site, C+2.67+ is bonded in a single-bond geometry to one N3- atom. The C–N bond length is 1.18 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C+2.67+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to four K1+ and one C+2.67+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+2.67+ atom. In the fourth N3- site, N3- is bonded in a single-bond geometry to four K1+ and one C+2.67+ atom. O2- is bonded in a bent 150 degrees geometry to two K1+ atoms.