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Materials Data on CuH28C10(N3Cl2)2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1699004· OSTI ID:1699004
CuCl4(C5H14N3)2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight schembl668226 molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Cl1- atoms. There are two shorter (2.26 Å) and two longer (2.30 Å) Cu–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.
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:
1699004
Report Number(s):
mp-1196333
Country of Publication:
United States
Language:
English

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