Crystal structure of the clathrate compound [dibromotetra(pyridine)copper(II)]·pyridine. Characterization by EXAFS of the pyridine desorption product

  • Mohamed Selkti
  • Chang-chung Ling
  • Alda Navaza
Research Communication


Powder samples of the new compound [Cu(C5H5N)4·Br2](C5H5N) and of its desorption product have been studied by EXAFS. The crystal structure of [Cu(C5H5N)4Br2]·(C5H5N) has been determined from three-dimensional X-ray diffraction data and refined to theR value 0.038 for 379 observed reflections. (orthorhombic,Ccca,a=12.033(8),b=14.764(3),c=16.768 Å,V=1897(3) Å3,Z=4). The copper atom lies on a 222 symmetry site and is hexacoordinated with four nitrogen and two bromine atoms, forming an elongated octahedron with the bromine atoms in apical positions (Cu−Br distance: 3.201(2) Å, Cu−N1/N2 distances: 2.02(1)/2,07(1) Å). The host molecules (Cu(C5H5N)4Br2) form layers parallel to the (001) plane. Cavities in the space between these layers, bound by pyridine ligands protruding into this space, are occupied by the guest molecules (C5H5N). The guest desorption at room temperature is accompanied by a chemical and structural destruction of the host, leading to the known compound Cu(C5H5N)2Br2.

Key words

Crystal structure EXAFS clathrate 4-pyridine 2-pyridine Cu(II) 


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  1. 1.
    J. Lipkowski: inInclusion Compounds, Vol. 1 (Eds. J.L. Atwood, J.E.D. Davies and D.D. MacNicol), pp. 59–103, Academic Press, London, 1984.Google Scholar
  2. 2.
    N.V. Pervukhina, N.V. Podberezskaya, V.V.Bakakin, N.V. Kislykh, G.N. Chekhova and Yu.A. Dyadin:Zh. Strukt. Khim. 26, 120 (1985);Chem. Abstr. 104, 139681g (1986).Google Scholar
  3. 3.
    N.V. Pervukhina, N.V. Podberezskaya, I.V. Davydova, N.V. Kislykh and Yu.A. Dyadin:J. Incl. Phenom. 13, 9 (1992).Google Scholar
  4. 4.
    G.J. Long and P.J. Clarke:Inorg. Chem. 17, 1394 (1978) (and references therein).Google Scholar
  5. 5.
    H. Hartl and T. Brudgam:Acta Crystallogr. B36, 162 (1980).Google Scholar
  6. 6.
    H. Hartl and S. Steidl:Z. Naturforsch. 32B, 6 (1977).Google Scholar
  7. 7.
    M.A. Poraj-Koshits and A.S. Antsychkina:Kristallografiya 3, 686 (1958).Google Scholar
  8. 8.
    H. Hartl and S. Steidl:Acta Crystallogr. B36, 65 (1980).Google Scholar
  9. 9.
    A.C.T. North, D.C. Phillips and F.S. Mathews:Acta Crystallogr. A24, 351 (1968).Google Scholar
  10. 10.
    N. Walker and D. Stuart:Acta Crystallogr. A39, 158 (1983).Google Scholar
  11. 11.
    International Tables for X-Ray Crystallography, Vol. IV, The Kynoch Press, Birmingham, England (1974), Distr. Kluwer Academic Publishers, Dordrecht, The Netherlands.Google Scholar
  12. 12.
    B. Morosin:Acta Crystallogr. B31, 632 (1975).Google Scholar
  13. 13.
    V. Kupčik and S. Ďurovič:Czech. J. Phys. 10, 182 (1960).Google Scholar
  14. 14.
    D. Bonnin, P. Kaiser and J. Desbarres: EXAFS, Ecole d'été à Garchy, France, 19–24 September 1988.Google Scholar
  15. 15.
    B.A. Frenz:Enraf-Nonius, Structure Determination Package, V3.0, Enraf-Nonius, Delft, The Netherlands (1985).Google Scholar
  16. 16.
    Tripos:Molecular Modeling Software, V 5.2, Inc. Missouri, USA (1989).Google Scholar
  17. 17.
    C.K. Johnson:ORTEPII, Report ORNL. 5138 (Third Revision), Oak Ridge National Laboratory, Tennessee, USA (1976).Google Scholar
  18. 18.
    A. Sakthivel and R.A. Young: School of Physics, Georgia Institute of Technology, Atlanta, USA, GA30332 (1992).Google Scholar
  19. 19.
    D.E. Sayers, A.E. Stern and F.W. Lytle:Phys. Rev. Lett. 27, 1204 (1971).Google Scholar
  20. 20.
    A.G. McKale, B.W. Veal, A.P. Paulikas, S.K. Chan and G.S. Knappe:J. Am. Chem. Soc. 110, 3763 (1988).Google Scholar
  21. 21.
    J.D. Dunitz:Acta Crystallogr. 10, 307 (1957).Google Scholar

Copyright information

© Kluwer Academic Publishers 1994

Authors and Affiliations

  • Mohamed Selkti
    • 1
  • Chang-chung Ling
    • 1
  • Alda Navaza
    • 1
  1. 1.UPR 180, CNRS. Laboratoire de Physique, Centre PharmaceutiqueUniversité Paris-SudChatenay-MalabryFrance

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