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Materials Data on RuN5Cl3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1759863· OSTI ID:1759863
RuN4ClNCl2 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four dichloramine molecules and four RuN4Cl ribbons oriented in the (1, 0, 0) direction. In each RuN4Cl ribbon, Ru4+ is bonded in a tetrahedral geometry to four N+0.20- atoms. There are a spread of Ru–N bond distances ranging from 1.69–1.97 Å. There are three inequivalent N+0.20- sites. In the first N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ru4+ atom. In the second N+0.20- site, N+0.20- is bonded in a single-bond geometry to one Ru4+ atom. In the third N+0.20- site, N+0.20- is bonded in a distorted bent 120 degrees geometry to one Ru4+ and one Cl1- atom. The N–Cl bond length is 1.58 Å. Cl1- is bonded in a bent 120 degrees geometry to two equivalent N+0.20- atoms.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1759863
Report Number(s):
mp-1179667
Country of Publication:
United States
Language:
English

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