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Title: Materials Data on H3CSClO by Materials Project

Abstract

CH3SOCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methane molecules and four SOCl clusters. In each SOCl cluster, S2- is bonded in a 1-coordinate geometry to one O2- and one Cl1- atom. The S–O bond length is 1.48 Å. The S–Cl bond length is 2.17 Å. O2- is bonded in a single-bond geometry to one S2- atom. Cl1- is bonded in a single-bond geometry to one S2- atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-644221
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; H3CSClO; C-Cl-H-O-S
OSTI Identifier:
1280405
DOI:
10.17188/1280405

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on H3CSClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280405.
Persson, Kristin, & Project, Materials. Materials Data on H3CSClO by Materials Project. United States. doi:10.17188/1280405.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on H3CSClO by Materials Project". United States. doi:10.17188/1280405. https://www.osti.gov/servlets/purl/1280405. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1280405,
title = {Materials Data on H3CSClO by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {CH3SOCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methane molecules and four SOCl clusters. In each SOCl cluster, S2- is bonded in a 1-coordinate geometry to one O2- and one Cl1- atom. The S–O bond length is 1.48 Å. The S–Cl bond length is 2.17 Å. O2- is bonded in a single-bond geometry to one S2- atom. Cl1- is bonded in a single-bond geometry to one S2- atom.},
doi = {10.17188/1280405},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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