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DOE OSTI · 1738343

Materials Data on CuH20C6(NCl2)2 by Materials Project

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Abstract

(C3H7NH3)2CuCl4 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight trimethylazanium molecules and four CuCl4 clusters. In each CuCl4 cluster, Cu2+ is bonded in a distorted trigonal pyramidal geometry to four Cl1- atoms. There are three shorter (2.27 Å) and one longer (2.28 Å) Cu–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom. In the fourth Cl1- site, Cl1- is bonded in a single-bond geometry to one Cu2+ atom.

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36 MATERIALS SCIENCEC-Cl-Cu-H-Ncrystal structureCuH20C6(NCl2)2

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2020-04-29. Materials Data on CuH20C6(NCl2)2 by Materials Project. https://doi.org/10.17188/1738343

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