Materials Data on Cr2H28C10N6O7 by Materials Project

Abstract

Cr2O7(C5H14N3)2 crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of four schembl668226 molecules and two Cr2O7 clusters. In each Cr2O7 cluster, there are two inequivalent Cr2+ sites. In the first Cr2+ site, Cr2+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.62–1.78 Å. In the second Cr2+ site, Cr2+ is bonded to four O2- atoms to form corner-sharing CrO4 tetrahedra. There are a spread of Cr–O bond distances ranging from 1.63–1.78 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cr2+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Cr2+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one Cr2+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cr2+ atom. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Cr2+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one Cr2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Cr2+ atom.