Materials Data on C2SNCl2F5 by Materials Project
CF3CF2NSCl2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight difluoromethane molecules, eight fluoroform molecules, and eight NSCl2 clusters. In each NSCl2 cluster, N1+ is bonded in a distorted single-bond geometry to one S2- atom. The N–S bond length is 1.51 Å. S2- is bonded in a distorted trigonal non-coplanar geometry to one N1+ and two Cl1- atoms. Both S–Cl bond lengths are 2.12 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one S2- atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one S2- 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:
- 1270871
- Report Number(s):
- mp-559455
- Country of Publication:
- United States
- Language:
- English
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