Materials Data on H3Ru3C10ClO9 by Materials Project
Abstract
(RuH)3(CO)9CCl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four chloromethane molecules, thirty-six formaldehyde molecules, and four RuH clusters. In each RuH cluster, there are two inequivalent Ru+2.67+ sites. In the first Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to two equivalent H1+ atoms. Both Ru–H bond lengths are 1.82 Å. In the second Ru+2.67+ site, Ru+2.67+ is bonded in an L-shaped geometry to two H1+ atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Ru+2.67+ atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Ru+2.67+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-707771
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; H3Ru3C10ClO9; C-Cl-H-O-Ru
- OSTI Identifier:
- 1286465
- DOI:
- https://doi.org/10.17188/1286465
Citation Formats
The Materials Project. Materials Data on H3Ru3C10ClO9 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1286465.
The Materials Project. Materials Data on H3Ru3C10ClO9 by Materials Project. United States. doi:https://doi.org/10.17188/1286465
The Materials Project. 2020.
"Materials Data on H3Ru3C10ClO9 by Materials Project". United States. doi:https://doi.org/10.17188/1286465. https://www.osti.gov/servlets/purl/1286465. Pub date:Fri May 29 00:00:00 EDT 2020
@article{osti_1286465,
title = {Materials Data on H3Ru3C10ClO9 by Materials Project},
author = {The Materials Project},
abstractNote = {(RuH)3(CO)9CCl crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four chloromethane molecules, thirty-six formaldehyde molecules, and four RuH clusters. In each RuH cluster, there are two inequivalent Ru+2.67+ sites. In the first Ru+2.67+ site, Ru+2.67+ is bonded in a distorted L-shaped geometry to two equivalent H1+ atoms. Both Ru–H bond lengths are 1.82 Å. In the second Ru+2.67+ site, Ru+2.67+ is bonded in an L-shaped geometry to two H1+ atoms. There is one shorter (1.81 Å) and one longer (1.82 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a water-like geometry to two equivalent Ru+2.67+ atoms. In the second H1+ site, H1+ is bonded in a water-like geometry to two Ru+2.67+ atoms.},
doi = {10.17188/1286465},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}