Materials Data on CuC32(NF2)8 by Materials Project
Cu(CN)8(C)8(CF)16 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of sixteen fluoromethane molecules, eight methane molecules, and one Cu(CN)8 cluster. In the Cu(CN)8 cluster, Cu2+ is bonded in a square co-planar geometry to four N3- atoms. All Cu–N bond lengths are 1.97 Å. There are four inequivalent C+1.19+ sites. In the first C+1.19+ site, C+1.19+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.32 Å) and one longer (1.38 Å) C–N bond length. In the second C+1.19+ site, C+1.19+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.33 Å) and one longer (1.37 Å) C–N bond length. In the third C+1.19+ site, C+1.19+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.33 Å) and one longer (1.38 Å) C–N bond length. In the fourth C+1.19+ site, C+1.19+ is bonded in a bent 120 degrees geometry to two N3- atoms. There is one shorter (1.32 Å) and one longer (1.38 Å) C–N bond length. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to one Cu2+ and two C+1.19+ atoms. In the second N3- site, N3- is bonded in a trigonal planar geometry to one Cu2+ and two C+1.19+ atoms. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two C+1.19+ atoms. In the fourth N3- site, N3- is bonded in a bent 120 degrees geometry to two C+1.19+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1733455
- Report Number(s):
- mp-1198330
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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