Materials Data on MnC5ClO5 by Materials Project
Mn(CO)5Cl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four Mn(CO)5Cl clusters. Mn3+ is bonded in a 6-coordinate geometry to five C+1.60+ and one Cl1- atom. There are a spread of Mn–C bond distances ranging from 1.83–1.90 Å. The Mn–Cl bond length is 2.41 Å. There are three inequivalent C+1.60+ sites. In the first C+1.60+ site, C+1.60+ is bonded in a single-bond geometry to one Mn3+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+1.60+ site, C+1.60+ is bonded in a single-bond geometry to one Mn3+ and one O2- atom. The C–O bond length is 1.15 Å. In the third C+1.60+ site, C+1.60+ is bonded in a distorted linear geometry to one Mn3+ and one O2- atom. The C–O bond length is 1.16 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+1.60+ atom. Cl1- is bonded in a single-bond geometry to one Mn3+ atom.