X-RAY-DIFFRACTION STUDY OF A CLATHRATE WITH THE QUINOLINE-CONTAINING WERNER COMPLEX ([NIQ(4)(NCS)(2)]CENTER-DOT-2Q)

The structure of a clathrate with the quinoline-containing Werner comp lex as a host was determined by single-crystal X-ray diffraction analy sis. The crystals of [NiQ(4)(NCS)(2)]. 2Q, C56H42N8S2Ni are orthorhomb ic, space group Pca2(1), a = 15.194(9), b = 12.840(7), c = 24.74(1) An gstrom, Z = 4, d(calc) = 1.307 g/cm(3). The final R = 0.063 far 1505 r eflections with I > 2 sigma(I) and 228 refined parameters; the paramet er of the absolute structure is 0.17(7). The structure consists of com plex and quinoline guest molecules; the interactions between the molec ules are van der Waals interactions. In the host molecule, Ni(II) is s urrounded by a distorted octahedron of six nitrogen atoms of two isoth iocyanate groups in the trans-position and four quinoline ligands. The molecule has a propeller conformation; the phenylene rings of the qui noline ligands lie on the same side of the equatorial plane. The host molecule is chiral, as the structure on the whole. The quinoline guest molecules lie in the layers that are perpendicular to the z axis. In its general features, the compound is similar to clathrates of [MA(4)X (2)] type complexes, where A is pyridine and its derivatives.