Skip to main content
SpringerLink
Log in

Crystalline β Modification of (BEDT-TTF)2Br0.12Cl1.88I

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

Abstract

The structure of the crystalline β’ modification of a radical cation salt of bis(ethylenedithio)tetrathiafulvalene with mixed dihalogen iodide (BEDT-TTF)2Br0.12Cl1.88I (I) was investigated by single crystal X-ray diffraction. Triclinic structure of I (space group \(P\bar 1\), a = 6.638 Å, b = 9.779 Å, c = 12.920 Å; α = 87.24°, β = 79.10°, γ = 81.37°) was solved by direct methods and refined in a full-matrix anisotropic approximation to R = 0.030 using all 3897 measured independent reflections (CAD-4 automatic diffractometer, λMoK α). In the crystal structure of I the mixed Cl*-I-Cl* anion occupies the inversion center i(000), its terminal atom having a composition Cl* = Cl0.94Br0.06. The semi-radical cation (C10H8S8)1/2+ has one of two ethylene groups disordered.

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

Access this article

Log in via an institution

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

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

REFERENCES

  1. H. Kobayashi, R. Kato, A. Kobayashi, et al., Chem. Lett., 15, No.1, 89/90 (1986).

    Google Scholar 

  2. T. J Emge, H. H. Wang, P. C. W. Leung, et al., J. Am. Chem. Soc., 108, No.4, 695–702 (1986).

    Article  CAS  Google Scholar 

  3. L. I. Buravov, A. V. Zvarykina, A. A. Ignatiev, et al., Izv. Akad Nauk SSSR, Ser. Khim., No. 9, 2027–2033 (1988).

  4. C. T. North, D. C. Phillips, F. S. Mathews, Acta Crystallogr., A24, No.3, 351–359 (1968).

    Google Scholar 

  5. G. M. Sheldrick, The SHELX-97 Manual, Univ. Gottingen, Gottingen, Germany (1997).

    Google Scholar 

  6. International Tables for Crystallography, Vol. C, Kluwer, Dordrecht (1992).

  7. Bondi, J. Phys. Chem., 68, No.3, 441–451 (1964).

    CAS  Google Scholar 

  8. R. Taylor and O. Kennard, J. Am. Chem. Soc., 104, No.19, 5063–5070 (1982).

    CAS  Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Institute of Chemical Physics Problems, Russian Academy of Sciences, Chernogolovka, Russia

    A. N. Chekhlov

Authors
  1. A. N. Chekhlov
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Original Russian Text Copyright © 2004 by A. N. Chekhlov

__________

Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 960–965, September–October, 2004.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Chekhlov, A.N. Crystalline β Modification of (BEDT-TTF)2Br0.12Cl1.88I. J Struct Chem 45, 917–922 (2004). https://doi.org/10.1007/s10947-005-0079-5

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s10947-005-0079-5

Keywords

Search

Navigation