Materials Data on Ni2C5(Cl2O)2 by Materials Project
Ni2C2O2Cl(CCl)3 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of twelve chloromethane molecules and four Ni2C2O2Cl clusters. In two of the Ni2C2O2Cl clusters, there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted L-shaped geometry to one C+0.80+ and one Cl1- atom. The Ni–C bond length is 1.79 Å. The Ni–Cl bond length is 2.25 Å. In the second Ni2+ site, Ni2+ is bonded in a distorted L-shaped geometry to one C+0.80+ and one Cl1- atom. The Ni–C bond length is 1.80 Å. The Ni–Cl bond length is 2.25 Å. There are two inequivalent C+0.80+ sites. In the first C+0.80+ site, C+0.80+ is bonded in a distorted single-bond geometry to one Ni2+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+0.80+ site, C+0.80+ is bonded in a distorted single-bond geometry to one Ni2+ and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.80+ atom. Cl1- is bonded in a bent 120 degrees geometry to two Ni2+ atoms. In two of the Ni2C2O2Cl clusters, there are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded in a distorted water-like geometry to one C+0.80+ and one Cl1- atom. The Ni–C bond length is 1.80 Å. The Ni–Cl bond length is 2.25 Å. In the second Ni2+ site, Ni2+ is bonded in a distorted L-shaped geometry to one C+0.80+ and one Cl1- atom. The Ni–C bond length is 1.80 Å. The Ni–Cl bond length is 2.25 Å. There are two inequivalent C+0.80+ sites. In the first C+0.80+ site, C+0.80+ is bonded in a distorted single-bond geometry to one Ni2+ and one O2- atom. The C–O bond length is 1.15 Å. In the second C+0.80+ site, C+0.80+ is bonded in a distorted single-bond geometry to one Ni2+ and one O2- atom. The C–O bond length is 1.15 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.80+ atom. Cl1- is bonded in a bent 120 degrees geometry to two Ni2+ atoms.