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

View/ Open
Issue Date
1988Author
Takusagawa, Fusao
Publisher
International Union of Crystallography
Type
Article
Article Version
Scholarly/refereed, publisher version
Metadata
Show full item recordAbstract
[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.
Collections
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.
Items in KU ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
We want to hear from you! Please share your stories about how Open Access to this item benefits YOU.