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Title: Materials Data on H3CSClO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1280405· OSTI ID:1280405

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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