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DOE OSTI · 1272611

Materials Data on H3AuC2NCl by Materials Project

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Abstract

AuC2NH3Cl crystallizes in the monoclinic P2_1 space group. The structure is zero-dimensional and consists of two AuC2NH3Cl clusters. Au1+ is bonded in a linear geometry to one C and one Cl1- atom. The Au–C bond length is 1.93 Å. The Au–Cl bond length is 2.29 Å. There are two inequivalent C sites. In the first C site, C is bonded in a distorted single-bond geometry to one Au1+ and one N3- atom. The C–N bond length is 1.17 Å. In the second C site, C is bonded in a tetrahedral geometry to one N3- and three H1+ atoms. The C–N bond length is 1.41 Å. All C–H bond lengths are 1.10 Å. N3- is bonded in a linear geometry to two C atoms. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C atom. Cl1- is bonded in a single-bond geometry to one Au1+ atom.

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36 MATERIALS SCIENCEAu-C-Cl-H-Ncrystal structureH3AuC2NCl

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2020-07-15. Materials Data on H3AuC2NCl by Materials Project. https://doi.org/10.17188/1272611

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