CRYSTAL STRUCTURE OF BETA,BETA',BETA''-TRIAMINOTRIETHYLAMINEISOTHIOCYANATOZINC(2) THIOCYANATE

The crystal structure of β,βʹ,βʹʹ-triaminotriethylamineisothiocyanatozinc(II) thiocyanate, [Zn(tren)-(NCS)](SCN), has been determined by Fourier methods and refined by full-matrix least squares using three-dimensional X-ray data consisting of 2561 independent reflections measured with Mo Kα radiation on a four-circle diffractometer by the ω-2ϴscan technique. The final values of R and Rw are 0.054 and 0.038, respectively. The crystals have space group Pbca and a cell of dimensions a = 12.888, b = 16.466, c = 13.633 Å containing eight molecules. Calculated and measured densities are 1.504 and 1.49 g cm−3, respectively. The crystal structure consists of trigonal-bipyramidal [(tren)(SCN)Zn]+ cations and SCN¯ anions, connected by a network of NH … Nand NH … S hydrogen bonds. © 1969, American Chemical Society. All rights reserved.