The preparation and structure of μ-iodobis(h5-cyclopentadienyldicarbonyliron) fluoroborate |
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Authors: | FA Cotton BA Frenz AJ White |
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Institution: | Department of Chemistry, Texas A & M University, College Station, Texas 77843 U.S.A. |
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Abstract: | The identity and structure of a compound which arises frequently in the generation of (h5-C5H5)Fe(CO)2+ ion from (h5-C5H5)Fe(CO)2I and AgBF4 have been determined. The substance was shown to be {h5-C5H5)Fe(CO)2]2I}BF4s a compound already known from the work of Fischer and Moser. It consists of a BF4? anion and a cation formed by two (h5-C5H5)Fe(CO)2, groups having the expected shape and dimensions, united by a bridging iodine atom. The FeI bonds have an average lenght of 2.588 » and the FeIFe angle is 110.8(1)°. The FeFe distance of 4.26 » is consistent with the expectation that there should be no metalmetal bond. Presumably the large FeIFe angle results from a compromise between the tendency of I to maximize p character in its bonding orbitals and the necessity of niminizing non-bonded contact between the (h5-C5H5)Fe(CO)2 groups. Crystallographic data are: space group, P2/a; unit cell dimensions, a=15.605(2)», b=9.607(2)», c=12.373(2)», β=104.86(1)°, V=1792.9(6)»3; dealc=2.10 g/cm3 for Z=4; dobs=2.08±0.02 g/cm3. Refinement using 1595 independent reflections with Fo2>3σ(Fo2 was terminated at residuals of R1=0.076 and R2=0.114. |
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Keywords: | Address correspondence to this author |
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