Materials Data on CoHRu3(CO)13 by Materials Project
RuRu2HCo(CO)4(CO)9 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of thirty-six formaldehyde molecules, four ruthenium molecules, four Co(CO)4 clusters, and four Ru2H clusters. In each Co(CO)4 cluster, Co2+ is bonded in a distorted trigonal pyramidal geometry to four C+0.92+ atoms. There are a spread of Co–C bond distances ranging from 1.75–1.89 Å. There are four inequivalent C+0.92+ sites. In the first C+0.92+ site, C+0.92+ is bonded in a distorted bent 150 degrees geometry to one Co2+ and one O2- atom. The C–O bond length is 1.18 Å. In the second C+0.92+ site, C+0.92+ is bonded in a linear geometry to one Co2+ and one O2- atom. The C–O bond length is 1.16 Å. In the third C+0.92+ site, C+0.92+ is bonded in a distorted single-bond geometry to one Co2+ and one O2- atom. The C–O bond length is 1.18 Å. In the fourth C+0.92+ site, C+0.92+ is bonded in a distorted single-bond geometry to one Co2+ and one O2- atom. The C–O bond length is 1.18 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In the fourth O2- site, O2- is bonded in a single-bond geometry to one C+0.92+ atom. In each Ru2H cluster, Ru+3.67+ is bonded in a 1-coordinate geometry to one H1+ atom. The Ru–H bond length is 1.80 Å. H1+ is bonded in a bent 120 degrees geometry to two equivalent Ru+3.67+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1287793
- Report Number(s):
- mp-735485
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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