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DOE OSTI · 1730158

Materials Data on CdC2S2(N4Cl)2 by Materials Project

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Abstract

Cd(N2Cl)2(CN2S)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four amino-isothiocyanate molecules and two Cd(N2Cl)2 clusters. In each Cd(N2Cl)2 cluster, Cd2+ is bonded in a 2-coordinate geometry to two equivalent N+0.50- and two equivalent Cl1- atoms. Both Cd–N bond lengths are 3.01 Å. Both Cd–Cl bond lengths are 2.31 Å. There are two inequivalent N+0.50- sites. In the first N+0.50- site, N+0.50- is bonded in a single-bond geometry to one N+0.50- atom. The N–N bond length is 1.11 Å. In the second N+0.50- site, N+0.50- is bonded in a distorted bent 150 degrees geometry to one Cd2+ and one N+0.50- atom. Cl1- is bonded in a single-bond geometry to one Cd2+ atom.

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36 MATERIALS SCIENCEC-Cd-Cl-N-SCdC2S2(N4Cl)2crystal structure

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2020-04-29. Materials Data on CdC2S2(N4Cl)2 by Materials Project. https://doi.org/10.17188/1730158

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