Materials Data on BiRu2(CO)6 by Materials Project
(Ru(CO)3)2Bi crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four bismuth molecules and eight Ru(CO)3 clusters. In each Ru(CO)3 cluster, Ru+4.50+ is bonded in a distorted T-shaped geometry to three C atoms. There is one shorter (1.88 Å) and two longer (1.91 Å) Ru–C bond length. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.16 Å. In the second C site, C is bonded in a distorted linear geometry to one Ru+4.50+ and one O2- atom. The C–O bond length is 1.17 Å. In the third C site, C is bonded in a linear geometry to one Ru+4.50+ 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 atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C atom.