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Structural analysis of tris(tetra-n-butylammonium) hexakisisothiocyanatoyttrate(III)

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Abstract

The structural analysis of [(n-C4H9)4N]3[Y(NCS)6] (I) using single-crystal diffraction data and full-matrix least squares refinement has been carried out. The hexaisothiocyanate complex crystallizes in the centrosymmetric triclinic space group P \({\bar 1}\) (No. 2) with unit cell constants of a = 12.431(1), b = 12.866(1), c = 22.750(2) Å, α = 90.78(1), β = 92.05(1), γ = 96.67(1)°, and Z = 2. The molecular unit consists of three separate cationic tetra-n-butylammonium groups and an independent hexakisisothiocyanatoyttrate anionic group in which the six thiocyanate ligands are octahedrally coordinated through the N atom to the Y central ion. Selected bond distances and angles are presented as well as the synthesis and peripheral studies of (I).

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Kautz, J.A., Mullica, D.F. & Farmer, J.M. Structural analysis of tris(tetra-n-butylammonium) hexakisisothiocyanatoyttrate(III). Journal of Chemical Crystallography 29, 729–733 (1999). https://doi.org/10.1023/A:1009540307898

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