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    A neutron diffraction study of bis(cyclopentadienyl)(methyl)(methylene)tantalum(V) at 15 K

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    Issue Date
    1988
    Author
    Takusagawa, Fusao
    Publisher
    International Union of Crystallography
    Type
    Article
    Article Version
    Scholarly/refereed, publisher version
    Metadata
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    Abstract
    [Ta(C5H5)2(CH2)(CH3)], Mr = 340-206, monoclinic, Pljc, a = 6-492 (1), 6 = 11-539 (2), c= 15-174(2) A, P = 117-33 (2)°, V= 1009-8 (3) A3, Z = 4, Dx = 2-238 Mg m-3, neutrons, X = 1-1617(2) A, // = 0-2473 mm"1, F(000) = 122-68 fm. T= 15(0-5) K. The structure has been refined based on 2446 reflections to yield an unweighted R value based on F2 of 0-043. The molecule has approximate Cs point symmetry. All C—H bond distances have been determined with e.s.d.'s < 0-003 A. The mean C - H distance [ 1 - 091 (4) A] in the methyl group is slightly longer than that in the methylene group [1-081 (5) A], while therespective H-C-H angles are 107-8(3)° (methyl, mean value) and 112-3(2)° (methylene). The Ta-C methylene distance is 2-039 (1) A, corresponding to a full double bond, 0-229 (1) A shorter than the Ta-C methyl distance of 2-268 (1) A. The cyclopentadienyl rings have an envelope geometry and exhibit small systematic deviations of the C - C bond distances from the mean value of 1-419 A; by contrast, the ring C—H distances are equivalent, with a mean value of 1-084(1) A.
    Description
    This is the published version. Copyright 1988 by International Union of Crystallography.
    URI
    http://hdl.handle.net/1808/17672
    DOI
    https://doi.org/10.1107/S0108270187010527
    Collections
    • Molecular Biosciences Scholarly Works [531]
    Citation
    Takusagawa, Fusao, T. F. Koetzle, P. R. Sharp, and R. R. Schrock. "A Neutron Diffraction Study of Bis(cyclopentadienyl)(methyl)(methylene)tantalum(V) at 15 K." Acta Crystallographica Section C Crystal Structure Communications 44.3 (1988): 439-43. http://dx.doi.org/10.1107/S0108270187010527.

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    785-864-8983

    KU Libraries
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    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

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