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Title: Materials Data on CNClO by Materials Project

Abstract

ClNCO crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ~{o}-(chloromethyl)hydroxylamine molecules. C4+ is bonded in a water-like geometry to one O2- and one Cl1- atom. The C–O bond length is 1.40 Å. The C–Cl bond length is 1.71 Å. N1- is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.29 Å. O2- is bonded in a bent 120 degrees geometry to one C4+ and one N1- atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.

Publication Date:
Other Number(s):
mp-1105579
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; CNClO; C-Cl-N-O
OSTI Identifier:
1667146
DOI:
https://doi.org/10.17188/1667146

Citation Formats

The Materials Project. Materials Data on CNClO by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1667146.
The Materials Project. Materials Data on CNClO by Materials Project. United States. doi:https://doi.org/10.17188/1667146
The Materials Project. 2020. "Materials Data on CNClO by Materials Project". United States. doi:https://doi.org/10.17188/1667146. https://www.osti.gov/servlets/purl/1667146. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1667146,
title = {Materials Data on CNClO by Materials Project},
author = {The Materials Project},
abstractNote = {ClNCO crystallizes in the orthorhombic Cmce space group. The structure is zero-dimensional and consists of eight ~{o}-(chloromethyl)hydroxylamine molecules. C4+ is bonded in a water-like geometry to one O2- and one Cl1- atom. The C–O bond length is 1.40 Å. The C–Cl bond length is 1.71 Å. N1- is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.29 Å. O2- is bonded in a bent 120 degrees geometry to one C4+ and one N1- atom. Cl1- is bonded in a single-bond geometry to one C4+ atom.},
doi = {10.17188/1667146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}