X-ray Crystal Structure of (η5-Pentaphenylcyclopentadienyl){1- (η5/6-phenyl)-2,3,4,5-tetraphenylcyclopentadienyl}iron(II), [Fe(η5-C5Ph5){(η5/6-C6H5)C5Ph4}], a Linkage Isomer of Decaphenylferrocene

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Abstract
Very dark blue prismatic crystals of [Fe(η5-C5Ph5){(η5/6-C6H5)(C5Ph4)}], the linkage isomer of decaphenylferrocene, were grown from (3:1 v/v) hexane/ethyl acetate and characterized by single-crystal X-ray diffraction (space group P21/n, R1(F) 0.0404). The iron atom is coordinated to two C5Ph5 ligands: one with an η5-C5-configuration and the other with a coordinated arene configuration. The phenyl groups of the (η5-C5Ph5) ligand are oriented in a “paddle-wheel” arrangement about the C5 ring, with which four of them make an average angle of ∼53°, the other, an angle of ∼42°. The coordinated C6H5 ring of the other ligand is inclined at only ∼5° to the uncoordinated C5 ring, with which three of the other four phenyl rings make an average angle of ∼64°, and the other (opposite the coordinated arene ring), an angle of 38°.

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