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DOE OSTI · 1759953

Materials Data on C3IN by Materials Project

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Abstract

C3NI is alpha U structured and crystallizes in the monoclinic P2_1/m space group. The structure is zero-dimensional and consists of two iodomethylaziridine molecules. there are two inequivalent C+1.33+ sites. In the first C+1.33+ site, C+1.33+ is bonded in a distorted bent 150 degrees geometry to one N3- and one I1- atom. The C–N bond length is 1.19 Å. The C–I bond length is 2.02 Å. In the second C+1.33+ site, C+1.33+ is bonded in a distorted single-bond geometry to one N3- atom. The C–N bond length is 1.54 Å. N3- is bonded in a 1-coordinate geometry to three C+1.33+ atoms. I1- is bonded in a distorted single-bond geometry to one C+1.33+ atom.

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36 MATERIALS SCIENCEC-I-NC3INcrystal structure

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2020-09-03. Materials Data on C3IN by Materials Project. https://doi.org/10.17188/1759953

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