Materials Data on H3CSClO by Materials Project
CH3SOCl crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four methane molecules and four SOCl clusters. In each SOCl cluster, S2- is bonded in a 1-coordinate geometry to one O2- and one Cl1- atom. The S–O bond length is 1.48 Å. The S–Cl bond length is 2.17 Å. O2- is bonded in a single-bond geometry to one S2- atom. Cl1- is bonded in a single-bond geometry to one S2- atom.
- 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:
- 1280405
- Report Number(s):
- mp-644221
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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