ELEMENTS OF THE CRYSTAL STRUCTURE OF A SOLVATED 1:1 CHARGE-TRANSFER SALT DERIVED FROM TETRATHIAFULVALENE (TTF) AND TETRAFLUOROTETRACYANO-p-QUINODIMETHANE (TCNQF4), TTF-TCNQF4.

Article abstract of DOI:10.1080/00268948208076179

The 1:1 charge-transfer salt TTF-TCNQF4 crystallizes (from cyclohexane/acetonitrile) in the monoclinic system, space group P2/m, with a equals 16. 562(4) A, b equals 10. 728(4) A, c equals 7. 013(1) A, beta equals 97. 39(2) degree , V equals 1235. 6 A**3. A structural solution has been obtained by Patterson-Fourier methods and refined (based on 2107 non-zero F//0's) to an R value of 0. 18. The crystal structure of solvated TTF-TCNQF4 consists of segregated stacks of donors and acceptors propagating along the c axis. Parallel to these columnar arrays are solvent channels of unresolved composition. Disorder within these solvent channels prevents a detailed description of their contents; the basic elements of the donor and acceptor stacks are, however, well-defined. The TCNQF4 acceptor column is both distance and overlap modulated (eclipsed, dimeric interaction at a mean separation of 3. 25 A, and ring-over-bond, monomeric interaction at 3. 43 A). The TTF donor column shows analogous eclipsed and ring-over-bond overlap patterns; however, the distance alternation (3. 49 A and 3. 51 A, respectively) is within experimental error ( plus or minus 0. 02 A in each case).

Full text of DOI:10.1080/00268948208076179

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Molecular Crystals and Liquid
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Elements of the Crystal
Structure of a Solvated 1:1
Charge-Transfer Salt Derived
from Tetrathiafulvalene (TTF)
and Tetrafluorotetracyano-p-
Quinodimethane (TCNQF4),
TTF-TCNQF4
F. Mitchell Wiygul a , Thomas J. Emge a & Thomas J.
Kistenmacher a
a Department of Chemistry , The Johns Hopkins
University , Baltimore, Maryland, 21218
Published online: 20 Apr 2011.
To cite this article: F. Mitchell Wiygul , Thomas J. Emge & Thomas J. Kistenmacher
(1982) Elements of the Crystal Structure of a Solvated 1:1 Charge-Transfer Salt
Derived from Tetrathiafulvalene (TTF) and Tetrafluorotetracyano-p-Quinodimethane
(TCNQF4), TTF-TCNQF4, Molecular Crystals and Liquid Crystals, 90:1-2, 163-171, DOI:
10.1080/00268948208076179
To link to this article: http://dx.doi.org/10.1080/00268948208076179
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