Materials Data on BOs3(CO)10 by Materials Project

Abstract

Os3B(CO)10 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two Os3B(CO)10 clusters. there are three inequivalent Os+1.67- sites. In the first Os+1.67- site, Os+1.67- is bonded in a distorted rectangular see-saw-like geometry to one B3+ and three C+2.20+ atoms. The Os–B bond length is 2.19 Å. There is two shorter (1.88 Å) and one longer (1.94 Å) Os–C bond length. In the second Os+1.67- site, Os+1.67- is bonded in a distorted rectangular see-saw-like geometry to one B3+ and three C+2.20+ atoms. The Os–B bond length is 2.20 Å. There is two shorter (1.88 Å) and one longer (1.94 Å) Os–C bond length. In the third Os+1.67- site, Os+1.67- is bonded in a distorted rectangular see-saw-like geometry to one B3+ and three C+2.20+ atoms. The Os–B bond length is 2.18 Å. There is two shorter (1.88 Å) and one longer (1.94 Å) Os–C bond length. B3+ is bonded in a distorted rectangular see-saw-like geometry to three Os+1.67- and one C+2.20+ atom. The B–C bond length is 1.46 Å. There are ten inequivalent C+2.20+ sites. In the first C+2.20+ site, C+2.20+ is bonded in a distorted single-bond geometry to one B3+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C+2.20+ site, C+2.20+ is bonded in a distorted linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.16 Å. In the third C+2.20+ site, C+2.20+ is bonded in a distorted linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.16 Å. In the fourth C+2.20+ site, C+2.20+ is bonded in a linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.16 Å. In the fifth C+2.20+ site, C+2.20+ is bonded in a distorted linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.17 Å. In the sixth C+2.20+ site, C+2.20+ is bonded in a linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.17 Å. In the seventh C+2.20+ site, C+2.20+ is bonded in a linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.17 Å. In the eighth C+2.20+ site, C+2.20+ is bonded in a linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.16 Å. In the ninth C+2.20+ site, C+2.20+ is bonded in a distorted linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.16 Å. In the tenth C+2.20+ site, C+2.20+ is bonded in a linear geometry to one Os+1.67- and one O2- atom. The C–O bond length is 1.17 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the fifth O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the sixth O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the eighth O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the ninth O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one C+2.20+ atom.