Materials Data on CuC2(NCl2)2 by Materials Project
Abstract
CuCl4(CN)2 is Cubane-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and two CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.12 Å) and two longer (2.14 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.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105650
- 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; CuC2(NCl2)2; C-Cl-Cu-N
- OSTI Identifier:
- 1722137
- DOI:
- https://doi.org/10.17188/1722137
Citation Formats
The Materials Project. Materials Data on CuC2(NCl2)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722137.
The Materials Project. Materials Data on CuC2(NCl2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1722137
The Materials Project. 2020.
"Materials Data on CuC2(NCl2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1722137. https://www.osti.gov/servlets/purl/1722137. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1722137,
title = {Materials Data on CuC2(NCl2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuCl4(CN)2 is Cubane-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four hydrogen cyanide molecules and two CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a square co-planar geometry to four Cl1- atoms. There are two shorter (2.12 Å) and two longer (2.14 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.},
doi = {10.17188/1722137},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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