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Title: Materials Data on RuC3Br2O3 by Materials Project

Abstract

RuBr2(CO)3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules and two RuBr2 clusters. In each RuBr2 cluster, Ru4+ is bonded in a 6-coordinate geometry to three Br1- atoms. There are one shorter (2.59 Å) and two longer (2.64 Å) Ru–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ru4+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Ru4+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-649950
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; RuC3Br2O3; Br-C-O-Ru
OSTI Identifier:
1280935
DOI:
10.17188/1280935

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on RuC3Br2O3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280935.
Persson, Kristin, & Project, Materials. Materials Data on RuC3Br2O3 by Materials Project. United States. doi:10.17188/1280935.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on RuC3Br2O3 by Materials Project". United States. doi:10.17188/1280935. https://www.osti.gov/servlets/purl/1280935. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1280935,
title = {Materials Data on RuC3Br2O3 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {RuBr2(CO)3 crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of twelve formaldehyde molecules and two RuBr2 clusters. In each RuBr2 cluster, Ru4+ is bonded in a 6-coordinate geometry to three Br1- atoms. There are one shorter (2.59 Å) and two longer (2.64 Å) Ru–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Ru4+ atom. In the second Br1- site, Br1- is bonded in a distorted L-shaped geometry to two equivalent Ru4+ atoms.},
doi = {10.17188/1280935},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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