CRYSTAL AND MOLECULAR STRUCTURES OF A TOLUENE-CONTAINING FORM OF DI-MU-AQUO-DI-MU3-HYDROXO-DECA(1,1,1-TRIFLUOROPENTANE-2,4-DIONATO)HEXANICKEL(2)

The crystal and molecular structures of di-μ-aquo-di-μ3-hydroxodeca (1,1,1-trifluoropentane-2,4-dionato)hexanickel(II)- toluene (an enclosure compound) have been determined. The compound crystallizes in space group P21/c with unit cell dimensions a = 14.268 ± 0.006 Å, b = 17.519 ± 0.006 Å, c = 16.862 ± 0.006 Å, β = 107.57 ± 0.05°, and Z = 2. Of 4215 reflections collected by counter methods 2559 above background were used to solve and refine the structure by leastsquares methods to a conventional R factor of 8.4%. The molecule is composed of two trinuclear units joined by two bridging water molecules. Each nickel atom in the trinuclear unit is octahedrally coordinated by oxygen atoms of the ligands. The octahedra share a common vertex occupied by a hydroxide ion which bridges three nickel atoms. The toluene molecules lie on symmetry centers between the hexanickel units and are disordered about an axis perpendicular to the phenyl ring. © 1969, American Chemical Society. All rights reserved.