RESEARCH ON DIBENZO-18-CROWN-6 AND YTTRIUM ISOTHIOCYANATE COMPLEX (Ⅱ) ——DETERMINATION OF THE CRYSTAL STRUCTURE

Dibenzo-18-Crown-6 Yttrium Isothiocyanate crystal is the complex of Crown and Yttrium Isothiocyanate. The molecular formula is C23H24O6N3S3Y. The crystal belongs to the orthogonal system, with space group D2h-Pmcn. The cell dimensions are a= 19.885(9)?, b = 17.283(8)?, c = 7.942(3)?. Pour molecules are contained in a cell (z = 4). The nine-coordination polyhedron around the Y(111) ion was formed by six oxygen atoms and three nitrogen atoms of three NCS- acid radicals in the molecule. The space group of the molecule is Cs. The intensity data were collected on a PW-1100 four circle diffractometer. The total number of independent diffractions amounts to 2859. The crystal structure has been determined by Patterson method and the refinement of the structure parameters was achieved by block-matrix least-square method, R=0.073. All the positions of hydrogen were located by the difference syntheses.