Materials Data on KCo(CO)4 by Materials Project

Abstract

KCo(CO)4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K1+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of K–O bond distances ranging from 2.83–3.28 Å. Co1+ is bonded in a tetrahedral geometry to four C+1.50+ atoms. There is two shorter (1.74 Å) and two longer (1.75 Å) Co–C bond length. There are four inequivalent C+1.50+ sites. In the first C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. In the second C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.17 Å. In the fourth C+1.50+ site, C+1.50+ is bonded in a linear geometry to one Co1+ and one O2- atom. The C–O bond length is 1.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one C+1.50+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom. In the third O2- site, O2- is bonded in a distorted linear geometry to one K1+ and one C+1.50+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C+1.50+ atom.