Materials Data on Co4Pb(CO)16 by Materials Project

Abstract

Co4Pb(CO)16 crystallizes in the orthorhombic Pccn space group. The structure is zero-dimensional and consists of four Co4Pb(CO)16 clusters. there are two inequivalent Co2+ sites. In the first Co2+ site, Co2+ is bonded to one Pb2+ and four C+1.38+ atoms to form distorted corner-sharing CoPbC4 trigonal pyramids. The Co–Pb bond length is 2.80 Å. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. In the second Co2+ site, Co2+ is bonded to one Pb2+ and four C+1.38+ atoms to form distorted corner-sharing CoPbC4 trigonal pyramids. The Co–Pb bond length is 2.81 Å. There are a spread of Co–C bond distances ranging from 1.76–1.78 Å. Pb2+ is bonded in a tetrahedral geometry to four Co2+ atoms. There are eight inequivalent C+1.38+ sites. In the first C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the sixth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the seventh C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the eighth C+1.38+ site, C+1.38+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.15 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+1.38+ atom.