Skip to main content
Log in

Packing effects in organometallic compounds: A study of five mixed crystals

  • Published:
Structural Chemistry Aims and scope Submit manuscript

Abstract

A series of cocrystals of an organometallic tungsten complex with organic small molecules has been prepared and studied by single-crystal X-ray diffraction. Comparison of the five structures thus obtained allowed the measurement of the effects of the crystal environment on the molecular structure under investigation. Not only ‘soft’ torsional degrees of freedom but also bond angles, the point symmetry, and other geometrical features of the reference molecule have been found to vary significantly. It is concluded that parameters commonly ascribed to themolecular structure may in reality depend onintermolecular interactions.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. Kitaigorodskii, A. I.Molecular Crystals and Molecules; Academic Press: New York, 1973.

    Google Scholar 

  2. Bernstein, J. InAccurate Molecular Structures; A. Domenicano and I. Hargittai, eds.; Oxford University Press: New York, 1992, pp. 469–497.

    Google Scholar 

  3. Dilworth, J. R.; Richards, R. L.Inorg. Synth. 1990,28, 33–45.

    Google Scholar 

  4. Uchida, T.; Uchida, Y.; Masanobu, H.; Kodama, T.Acta Crystallogr. 1975,B31, 1197–1199.

    Google Scholar 

  5. ENRAF-NoniusSDP Version 5.0, 1989.

  6. Gavezzotti, A.J. Am. Chem. Soc. 1983,105, 5220–5225.

    Google Scholar 

  7. Englert, U.; Fischer, A.; Gammersbach, A.Struct. Chem. 1994,6, 115–119.

    Google Scholar 

  8. Results of Zorkiiet al. (cited in Brock, C. P.; Dunitz, J. D.Chem. Mater. 1994,6, 1118–1127) suggest that in space groups with both 1 and 2 sites the latter are occupied preferentially: our compound3 provides an additional example for this rule.

    Google Scholar 

  9. Bernstein, J. InOrganic Solid State Chemistry; G. R. Desiraju, ed.; Elsevier: Amsterdam, 1987, pp. 471–518.

    Google Scholar 

  10. Graeber, E. J.; Morosin, B.Acta Crystallogr. 1974,B30, 310–317.

    Google Scholar 

  11. Cox, E. G.; Cruickshank, D. W. J.; Smith, J. A. S.Proc. R. Soc. 1958,A247, 1–21.

    Google Scholar 

  12. Anderson, M.; Bosio, L.; Bruneaux-Poulle, J.; Fourme, R.J. Chim. Phys. 1977,74, 68–73.

    Google Scholar 

  13. Luger, P.; Buschmann, J.Angew. Chem. Suppl. 1983, 537–542.

  14. Buschmann, J.; Müller, E.; Luger, P.Acta Crystallogr. 1986,C42, 873–876.

    Google Scholar 

  15. Martin, A. M.; Orpen, G.J. Am. Chem. Soc. 1996,118, 1464–1470.

    Google Scholar 

  16. Gavezzotti, A.; Filippini, G.J. Am. Chem. Soc. 1996,118, 7153–7157, and references therein.

    Google Scholar 

  17. Schmidt, M. U.; Englert, U.J. Chem. Soc. Dalton Trans. 1996, 2077–2082, and references therein.

  18. PLATON-94; Spek, A. L.; University of Utrecht, The Netherlands, 1994.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Additional information

Dedicated to Prof. Dr. J. Strähle on the occasion of his 60th birthday.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Wagner, T., Englert, U. Packing effects in organometallic compounds: A study of five mixed crystals. Struct Chem 8, 357–365 (1997). https://doi.org/10.1007/BF02281249

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02281249

Key words

Navigation