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Title: Materials Data on NiH24C4S4N8(ClO4)2 by Materials Project

Abstract

Ni(N2H4)2Cl2(CNH4SO2)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four methanesulfonamide molecules and one Ni(N2H4)2Cl2 cluster. In the Ni(N2H4)2Cl2 cluster, Ni2+ is bonded in an octahedral geometry to four N2- and two equivalent Cl1- atoms. All Ni–N bond lengths are 2.20 Å. Both Ni–Cl bond lengths are 2.42 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N2- site, N2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1-more » is bonded in a single-bond geometry to one Ni2+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1205229
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NiH24C4S4N8(ClO4)2; C-Cl-H-N-Ni-O-S
OSTI Identifier:
1666801
DOI:
https://doi.org/10.17188/1666801

Citation Formats

The Materials Project. Materials Data on NiH24C4S4N8(ClO4)2 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1666801.
The Materials Project. Materials Data on NiH24C4S4N8(ClO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1666801
The Materials Project. 2019. "Materials Data on NiH24C4S4N8(ClO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1666801. https://www.osti.gov/servlets/purl/1666801. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1666801,
title = {Materials Data on NiH24C4S4N8(ClO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni(N2H4)2Cl2(CNH4SO2)4 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four methanesulfonamide molecules and one Ni(N2H4)2Cl2 cluster. In the Ni(N2H4)2Cl2 cluster, Ni2+ is bonded in an octahedral geometry to four N2- and two equivalent Cl1- atoms. All Ni–N bond lengths are 2.20 Å. Both Ni–Cl bond lengths are 2.42 Å. There are two inequivalent N2- sites. In the first N2- site, N2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N2- site, N2- is bonded in a distorted water-like geometry to one Ni2+ and two H1+ atoms. There is one shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are four inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2- atom. Cl1- is bonded in a single-bond geometry to one Ni2+ atom.},
doi = {10.17188/1666801},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat Jan 12 00:00:00 EST 2019},
month = {Sat Jan 12 00:00:00 EST 2019}
}