Abstract
The crystal and molecular structure of 1,2,3-trithia-[3]-ferrocenophane has been determined from three-dimensional X-ray data collected by counter techniques. The molecule consists of two nearly parallel, eclipsed cyclopentadienyl rings linked by an S3 bridge. The material crystallizes in the monoclinic space groupP21/c with unit cell parametersa = 9·628(3),b = 9·347(4),c= 11·408(4) Å, β = 96·70(3) °. The structure was solved by standard techniques and the least-squares refinement converged to a conventionalR factor of 9·6 %.
Similar content being viewed by others
References
Bohn, R. K. & Haaland, A. (1966)J. Organomet. Chem. 5, 470.
Churchill, M. R. & Wormall, J. (1969)Inorg. Chem. 3, 716.
Crofield, P. W. R., Doedens, R. J. & Ibers, J. A. (1967)Inorg. Chem. 6, 197.
Cotton, F. A. (1968)Acconuts Chem. Res. 1, 257.
Cromer, D. T. (1970) to be published in the new edition of theInternational Tables for X-ray Crystallography, private communication.
Davison, A. & Smart, J. C. (1969)J. Organometal. Chem. 19, P7.
Davis, B. R., Bernal, I. & Köpf, H. (1972)Angew. Chem. Int. Ed.10, 921.
Davis, B. R. & Bernal, I. (1971)J. Organometal. Chem. 30, 75.
Epstein, E. F., Bernal, I. & Köpf, H. (1971)J. Organometal. Chem. 26, 229.
International Tables for X-ray Crystallography (1967) (The Kynoch Press, Birmingham, England).
Köpf, H. (1969)Angew. Chem. internat. Edit. 8, 375.
Köpf, H. (1971)Angew. Chem. internat. Edit. 10, 134.
Long, R. E. (1965) Ph.D Thesis, Part III, University of California, Los Angeles.
Palenik, G. J. (1969)Inorg. Chem. 8, 2744.
Palenik, G. J. (1970)Inorg. Chem. 9, 2424.
Ricci, J. S. Jr. & Bernal, I. (1969)J. Am. Chem. Soc. 91, 4078; (1970)J. Chem. Soc. [B], 806; (1971)J. Chem. Soc. [B], 1928.
Rosenblum, M., Banerjee, A. K., Danieli, N., Fish, R. W. & Schlatter, V. (1963)J. Amer. Chem. Soc. 85, 316.
Sayre, D. (1952)Acta Crystallogr. 5, 60.
Wheatley, P. J. (1967)Perspectives in Structural Chemistry, eds. Dunitz, J. D. & Ibers, J. A. (John Wiley and Sons, New York, p. 1).
Author information
Authors and Affiliations
Additional information
We wish to thank A. Davison for the gift of the crystals and the U.S. Atomic Energy Commission for financial support.
Rights and permissions
About this article
Cite this article
Davis, B.R., Bernal, I. Structure of a novel fluxional molecule: 1,2,3-trithia-[3]-ferrocenophane. Journal of Crystal and Molecular Structure 2, 107–114 (1972). https://doi.org/10.1007/BF01464791
Received:
Issue Date:
DOI: https://doi.org/10.1007/BF01464791