Abstract

The structural analysis of [(n-C4H9)4N]3[Lu(NCS)6] (I) using single-crystal diffraction data and full-matrix least-squares refinement has yielded reliability factors of R=0.060 and Rw=0.071 based on 5578 observed reflections. The hexaisothiocyanate complex crystallizes in the centrosymmetric triclinic space group P1̄ with unit cell dimensions a=12.405(2), b=12.830 (2), c=22.699(2) Å, α=90.87(1), β=92.10(1), γ=96.67(1)°, V=3585.1(8) Å3 and Z=2. The observed density is 1.16(1) g cm−3 (Dcalc=1.159 g cm−3). The molecular unit consists of three separate cationic tetra-n-butylammonium groups and an independent hexakisisothiocyanatolutetium anionic group in which the six thiocyanate ligands octahedrally coordinate through the N atom to the Lu central atom. Selected bond distances and angles are presented as well as references to the synthesis of I and peripheral studies.

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