Abstract
The crystal structure of monoclinic (C2/c)[Ru(NH3)6][SCN]3 has been determined at ca. 295 K. The RuN6 unit is almost of octahedral symmetry, with Ru–N bond lengths of 210.9(4) pm and N–Ru–N angles of 89.9(5)°. The single-crystal magnetic susceptibility has been obtained along the a*, b and c axes at many temperatures between 2 and 300 K. The ESR g tensor was derived from measurements taken at various angles of rotation about the a*, b and c axes, at 77 K, giving gx= 1.468(3), gy= 1.929(17), gz= 2.357(4). These data are analysed in terms of an unusually complete crystal-field model in which the parameters are determined with a reliability that is rarely achieved, especially for a second-row transition-metal complex. The axes of the low-symmetry component of the crystal field, as defined by the g tensor, are aligned 12, 23 and 25° from Ru–N directions in the RuN6 octahedron. This coincidence is probably associated with details of the positions of the hydrogen atoms, or of the SCN– anions in the unit cell, transmitted through the π electronic structure of the N atoms.
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