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

The structural analysis of [(n-C4H9)(4)N](3)[Y(NCS)(6)] (I) using single-cr ystal diffraction data and full-matrix least squares refinement has been ca rried out. The hexaisothiocyanate complex crystallizes in the centrosymmetr ic triclinic space group P (1) over bar (No. 2) with unit cell constants of a = 12.431(1), b = 12.866(1), c = 22.750(2) Angstrom, alpha = 90.78(1), be ta = 92.05(1), gamma = 96.67(1)degrees, and Z = 2. The molecular unit consi sts of three separate cationic tetra-n-butylammonium groups and an independ ent hexakisisothiocyanatoyttrate anionic group in which the six thiocyanate ligands are octahedrally coordinated through the N atom to the Y central i on. Selected bond distances and angles are presented as well as the synthes is and peripheral studies of (I).