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Title: Materials Data on Ru7C20(SO10)2 by Materials Project

Abstract

(Ru)2Ru5CS2O(CO)19 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of seventy-six formaldehyde molecules, eight ruthenium molecules, and four Ru5CS2O clusters. In each Ru5CS2O cluster, there are five inequivalent Ru+2.86+ sites. In the first Ru+2.86+ site, Ru+2.86+ is bonded in a distorted single-bond geometry to one S2- atom. The Ru–S bond length is 2.44 Å. In the second Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ru–S bond lengths. In the third Ru+2.86+ site, Ru+2.86+ is bonded in a distorted single-bond geometry to one S2- atom. The Ru–S bond length is 2.45 Å. In the fourth Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.42 Å) and one longer (2.45 Å) Ru–S bond lengths. In the fifth Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ru–S bond lengths. C+1.20+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites.more » In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ru+2.86+ and one O2- atom. The S–O bond length is 3.44 Å. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Ru+2.86+ atoms. O2- is bonded in a single-bond geometry to one C+1.20+ and one S2- atom.« less

Authors:
Publication Date:
Other Number(s):
mp-650996
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; Ru7C20(SO10)2; C-O-Ru-S
OSTI Identifier:
1281015
DOI:
https://doi.org/10.17188/1281015

Citation Formats

The Materials Project. Materials Data on Ru7C20(SO10)2 by Materials Project. United States: N. p., 2014. Web. doi:10.17188/1281015.
The Materials Project. Materials Data on Ru7C20(SO10)2 by Materials Project. United States. doi:https://doi.org/10.17188/1281015
The Materials Project. 2014. "Materials Data on Ru7C20(SO10)2 by Materials Project". United States. doi:https://doi.org/10.17188/1281015. https://www.osti.gov/servlets/purl/1281015. Pub date:Wed Feb 26 00:00:00 EST 2014
@article{osti_1281015,
title = {Materials Data on Ru7C20(SO10)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(Ru)2Ru5CS2O(CO)19 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is zero-dimensional and consists of seventy-six formaldehyde molecules, eight ruthenium molecules, and four Ru5CS2O clusters. In each Ru5CS2O cluster, there are five inequivalent Ru+2.86+ sites. In the first Ru+2.86+ site, Ru+2.86+ is bonded in a distorted single-bond geometry to one S2- atom. The Ru–S bond length is 2.44 Å. In the second Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ru–S bond lengths. In the third Ru+2.86+ site, Ru+2.86+ is bonded in a distorted single-bond geometry to one S2- atom. The Ru–S bond length is 2.45 Å. In the fourth Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.42 Å) and one longer (2.45 Å) Ru–S bond lengths. In the fifth Ru+2.86+ site, Ru+2.86+ is bonded in a distorted L-shaped geometry to two S2- atoms. There are one shorter (2.50 Å) and one longer (2.51 Å) Ru–S bond lengths. C+1.20+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.16 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 5-coordinate geometry to four Ru+2.86+ and one O2- atom. The S–O bond length is 3.44 Å. In the second S2- site, S2- is bonded in a 4-coordinate geometry to four Ru+2.86+ atoms. O2- is bonded in a single-bond geometry to one C+1.20+ and one S2- atom.},
doi = {10.17188/1281015},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2014},
month = {2}
}