S. Rettig, A. Storr, David A. Summers
Sep 17, 1997
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Journal
Journal of the American Chemical Society
Abstract
The reaction of ferrocene with molten imidazole at 150 °C yielded pale yellow crystals of composition [Fe3(imid)6(imidH)2]x. Crystals of [Fe3(imid)6(imidH)2]x are monoclinic, a = 10.5912(9), b = 12.958(2), c = 10.617(1) A; β = 92.696(9)°; Z = 2; space group P21/c. The structure was solved by Patterson methods and refined by full-matrix least-squares procedures to R = 0.033 and Rw = 0.031 for 2260 reflections with I ≥ 3σ(F2). The structure consists of chains of tetrahedral iron centers cross-linked via octahedral iron ions to generate a 3-D array. All of the iron centers are bridged to four other metal centers via imidazolate ions, the two remaining (trans) coordination positions of the octahedral centers being occupied by neutral imidazole molecules. Magnetic susceptibilities on powdered samples were measured over the temperature range 2−300 K and at fields ranging from 0 to 55 000 G. The compound exhibits antiferromagnetic coupling along chains of tetrahedrally coordinated iron centers. A canted spin str...