The molecular structure of a three-coordinate palladium(II)-styrene complex [Pd(η5-C5H5)(PEt3)(styrene)]BF4

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Abstract The molecular structure of a three-coordinate palladium(II)-styrene complex, [Pd(η 5 -C 5 H 5 )(PEt 3 )(styrene)]BF 4 has been determined by means of X-ray diffraction. The crystal belongs to the monoclinic system, space group P 2 1 / c , with four formula units in a cell of dimensions: a 10.229(3), b 11.262(3), c 18.760(5) A and β 103.77(2)°. The structure was solved by the heavy atom method, and refined by the least-squares procedure to R = 0.050 for 3635 observed reflections. The palladium atom is surrounded by the cyclopentadienyl group, the triethylphosphine ligand and the olefinic bond of styrene in the cationic complex. In the palladiumstyrene bonding, the olefinic bond is inclined by 77.3° to the coordination plane defined by the Pd and P atoms and the center of the cyclopentadienyl ring (PdC(1) 2.176(6), PdC(2) 2.234(5) and C(1)C(2) 1.369(8) A).

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