Materials Data on B11H9C(Br3O2)2 by Materials Project

Abstract

B5C(BBr)6H9O4 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of twenty-four bromoborane molecules, four hydrogen tetrahydrate molecules, and four B5C clusters. In each B5C cluster, there are five inequivalent B+0.82+ sites. In the first B+0.82+ site, B+0.82+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.63 Å. In the second B+0.82+ site, B+0.82+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.57 Å. In the third B+0.82+ site, B+0.82+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.62 Å. In the fourth B+0.82+ site, B+0.82+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.63 Å. In the fifth B+0.82+ site, B+0.82+ is bonded in a single-bond geometry to one C4- atom. The B–C bond length is 1.59 Å. C4- is bonded in a 5-coordinate geometry to five B+0.82+ atoms.