STRUCTURAL ANALYSIS OF TRIS(TETRA-N-BUTYLAMMONIUM) HEXAKISISOTHIOCYANATOLUTETINATE(III)

摘要

The structural analysis of [(n-C4H9)(4)N](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 R-w = 0.071 based on 5578 observed reflections. The hexaisothiocyanate complex crystallizes in the centrosymmetric triclinic space group with unit cell dimensions a = 12.405(2), b = 12.830(2), c = 22.699(2) Angstrom, alpha = 90.87(1), beta = 92.10(1), gamma = 96.67(1)degrees, V = 3585.1(8) Angstrom(3) and Z = 2. The observed density is 1.16(1) g cm(-3) (D-calc = 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. [References: 13]