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Title: Materials Data on Re2SnC10(ClO5)2 by Materials Project

Abstract

ReCl2ReCO2SnC(CO)8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules, four dichlororhenium molecules, thirty-two formaldehyde molecules, four methane molecules, and four ReCO2 clusters. In each ReCO2 cluster, Re5+ is bonded in a distorted single-bond geometry to two O2- atoms. There are one shorter (1.74 Å) and one longer (2.29 Å) Re–O bond lengths. C+0.80+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one C+0.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re5+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-652791
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; Re2SnC10(ClO5)2; C-Cl-O-Re-Sn
OSTI Identifier:
1281185
DOI:
10.17188/1281185

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Re2SnC10(ClO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1281185.
Persson, Kristin, & Project, Materials. Materials Data on Re2SnC10(ClO5)2 by Materials Project. United States. doi:10.17188/1281185.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Re2SnC10(ClO5)2 by Materials Project". United States. doi:10.17188/1281185. https://www.osti.gov/servlets/purl/1281185. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1281185,
title = {Materials Data on Re2SnC10(ClO5)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ReCl2ReCO2SnC(CO)8 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four 7440-31-5 molecules, four dichlororhenium molecules, thirty-two formaldehyde molecules, four methane molecules, and four ReCO2 clusters. In each ReCO2 cluster, Re5+ is bonded in a distorted single-bond geometry to two O2- atoms. There are one shorter (1.74 Å) and one longer (2.29 Å) Re–O bond lengths. C+0.80+ is bonded in a single-bond geometry to one O2- atom. The C–O bond length is 1.22 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one C+0.80+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one Re5+ atom.},
doi = {10.17188/1281185},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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