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

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 (No. 2) with unit cell constants of a = 12.431(1), b = 12.866(1), c = 22.750(2) Å, = 90.78(1), = 92.05(1), = 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).