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Information card for entry 7204119
Preview
Coordinates | 7204119.cif |
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Original paper (by DOI) | HTML |
Chemical name | 4,4',5,5'-tetramethyltetrathiafulvalene |
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Formula | C10 H12 S4 |
Calculated formula | C10 H12 S4 |
SMILES | C1(SC(=C(C)S1)C)=C1SC(=C(C)S1)C |
Title of publication | Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts |
Authors of publication | Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O. |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2001 |
Journal volume | 11 |
Journal issue | 9 |
Pages of publication | 2181 |
a | 6.0472 ± 0.0003 Å |
b | 6.7723 ± 0.0004 Å |
c | 7.7964 ± 0.0004 Å |
α | 107.635 ± 0.002° |
β | 103.913 ± 0.002° |
γ | 96.561 ± 0.002° |
Cell volume | 289.25 ± 0.03 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0287 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0633 |
Weighted residual factors for all reflections included in the refinement | 0.0656 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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