Materials Data on H2Ru6(CO)17 by Materials Project
Abstract
(Ru)2(Ru2H)2(CO)17 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty-four formaldehyde molecules, four ruthenium molecules, and two Ru2H clusters. In each Ru2H cluster, there are four inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.87 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.85 Å. In the third Ru2+ site, Ru2+ is bonded in a 2-coordinate geometry to two H1+ atoms. Both Ru–H bond lengths are 1.97 Å. In the fourth Ru2+ site, Ru2+ is bonded in a distorted L-shaped geometry to two H1+ atoms. There is one shorter (1.92 Å) and one longer (1.95 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms. In the second H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms.
- Publication Date:
- Other Number(s):
- mp-720808
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Product Type:
- Dataset
- 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)
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; H2Ru6(CO)17; C-H-O-Ru
- OSTI Identifier:
- 1287236
- DOI:
- https://doi.org/10.17188/1287236
Citation Formats
The Materials Project. Materials Data on H2Ru6(CO)17 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1287236.
The Materials Project. Materials Data on H2Ru6(CO)17 by Materials Project. United States. doi:https://doi.org/10.17188/1287236
The Materials Project. 2020.
"Materials Data on H2Ru6(CO)17 by Materials Project". United States. doi:https://doi.org/10.17188/1287236. https://www.osti.gov/servlets/purl/1287236. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1287236,
title = {Materials Data on H2Ru6(CO)17 by Materials Project},
author = {The Materials Project},
abstractNote = {(Ru)2(Ru2H)2(CO)17 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty-four formaldehyde molecules, four ruthenium molecules, and two Ru2H clusters. In each Ru2H cluster, there are four inequivalent Ru2+ sites. In the first Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.87 Å. In the second Ru2+ site, Ru2+ is bonded in a distorted single-bond geometry to one H1+ atom. The Ru–H bond length is 1.85 Å. In the third Ru2+ site, Ru2+ is bonded in a 2-coordinate geometry to two H1+ atoms. Both Ru–H bond lengths are 1.97 Å. In the fourth Ru2+ site, Ru2+ is bonded in a distorted L-shaped geometry to two H1+ atoms. There is one shorter (1.92 Å) and one longer (1.95 Å) Ru–H bond length. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms. In the second H1+ site, H1+ is bonded in a trigonal non-coplanar geometry to three Ru2+ atoms.},
doi = {10.17188/1287236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}