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Title: Materials Data on CdH20C2S2(NO2)6 by Materials Project

Abstract

Cd(NH)2(CNH2)2(H2)4(NO)2(H3SO4)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nrvfo molecules, four hydrogen molecules, one hydrogen peroxide molecule, two methanimine molecules, two nitroxyl molecules, and one Cd(NH)2 cluster. In the Cd(NH)2 cluster, Cd2+ is bonded in a distorted linear geometry to two equivalent N+0.33- atoms. Both Cd–N bond lengths are 2.09 Å. N+0.33- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded in a single-bond geometry to one N+0.33- atom.

Publication Date:
Other Number(s):
mp-690848
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; CdH20C2S2(NO2)6; C-Cd-H-N-O-S
OSTI Identifier:
1284583
DOI:
https://doi.org/10.17188/1284583

Citation Formats

The Materials Project. Materials Data on CdH20C2S2(NO2)6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284583.
The Materials Project. Materials Data on CdH20C2S2(NO2)6 by Materials Project. United States. doi:https://doi.org/10.17188/1284583
The Materials Project. 2020. "Materials Data on CdH20C2S2(NO2)6 by Materials Project". United States. doi:https://doi.org/10.17188/1284583. https://www.osti.gov/servlets/purl/1284583. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1284583,
title = {Materials Data on CdH20C2S2(NO2)6 by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(NH)2(CNH2)2(H2)4(NO)2(H3SO4)2O2 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two ac1nrvfo molecules, four hydrogen molecules, one hydrogen peroxide molecule, two methanimine molecules, two nitroxyl molecules, and one Cd(NH)2 cluster. In the Cd(NH)2 cluster, Cd2+ is bonded in a distorted linear geometry to two equivalent N+0.33- atoms. Both Cd–N bond lengths are 2.09 Å. N+0.33- is bonded in a distorted bent 120 degrees geometry to one Cd2+ and one H1+ atom. The N–H bond length is 1.04 Å. H1+ is bonded in a single-bond geometry to one N+0.33- atom.},
doi = {10.17188/1284583},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}