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The crystal and molecular structure of a trifluoroacetylacetonate complex of scandium, Sc(CH3COCHCOCF3)3

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The crystal and molecular structure of Sc(CH3COCHCOCF3)3 has been determined by X-ray diffraction. The compound crystallizes as pure mer-isomer in the orthorhombic space group Pbca with lattice parameters a=15.166(8) Å, b=13.560(7) Å, c=19.327(10) Å, α=β=γ=90°, V=3974(4) Å3, Z=8. The complex at 100 K is partially disordered in the crystal structure in an approximate 5:1 ratio with 83% fluorine population at C-11 and 17% at C-15. NMR data is compared to that previously reported.

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Acknowledgement

DTH acknowledges M. Das for assistance with the synthesis of the title compound, to Marquette University for the purchase of the diffractometer used in this study, and T. Zeczycki for assistance in recording the NMR.

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Authors and Affiliations

  1. Department of Chemistry, University of Wisconsin – Milwaukee, P.O. Box 413, Milwaukee, Wisconsin, 53201-0413, USA

    Dennis W. Bennett & Tasneem A. Siddiquee

  2. Department of Chemistry, Marquette University, P.O. Box 1881, Milwaukee, Wisconsin, 53201-1881, USA

    Daniel T. Haworth & Sergey V. Lindeman

  3. Department of Chemistry, University of Wisconsin – Milwaukee, Milwaukee, WI, 53211, USA

    Dennis W. Bennett & Daniel T. Haworth

Authors
  1. Dennis W. Bennett
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  2. Tasneem A. Siddiquee
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  3. Daniel T. Haworth
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  4. Sergey V. Lindeman
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Corresponding author

Correspondence to Dennis W. Bennett.

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Supplementary material

CCDC 298953 contains the supplementary crystallographic data and can be obtained free of charge at www.ccdc.cam.ac.uk/conts/retrieving.html or from the Cambridge Crystallographic Data Centre (CCDC), 12 Union Road, Cambridge CB2 1EZ, UK; fax: +44(0)1223-336033; email: deposit@ccdc.cam.ac.uk.

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Bennett, D.W., Siddiquee, T.A., Haworth, D.T. et al. The crystal and molecular structure of a trifluoroacetylacetonate complex of scandium, Sc(CH3COCHCOCF3)3 . J Chem Crystallogr 37, 207–212 (2007). https://doi.org/10.1007/s10870-006-9171-8

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  • DOI: https://doi.org/10.1007/s10870-006-9171-8

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