Materials Data on CuH8C2(NCl2)2 by Materials Project
CuCl2(CNH2)2H2(HCl)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrochloric acid molecules; two hydrogen molecules; two CNH2 ribbons oriented in the (1, 0, 0) direction; and one CuCl2 sheet oriented in the (0, 0, 1) direction. In each CNH2 ribbon, C is bonded in a trigonal planar geometry to one N3- and two H1+ atoms. The C–N bond length is 1.22 Å. There is one shorter (1.11 Å) and one longer (1.33 Å) C–H bond length. N3- is bonded in a bent 120 degrees geometry to one C and one H1+ atom. The N–H bond length is 1.37 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a linear geometry to one C and one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the CuCl2 sheet, Cu2+ is bonded in a square co-planar geometry to four equivalent Cl1- atoms. There are two shorter (2.27 Å) and two longer (2.29 Å) Cu–Cl bond lengths. Cl1- is bonded in a bent 150 degrees geometry to two equivalent Cu2+ 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:
- 1697332
- Report Number(s):
- mp-1182135
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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