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Information card for entry 7201871
Preview
Coordinates | 7201871.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 4,5-ethylnenedioxy-4'methyltetrathiafulvalene |
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Chemical name | 4,5-ethylnenedioxy-4'methyltetrathiafulvalene |
Formula | C9 H8 O2 S4 |
Calculated formula | C9 H8 O2 S4 |
SMILES | S1C(SC=C1C)=C1SC2=C(S1)OCCO2 |
Title of publication | Formation of two-dimensional metals by weak intermolecular interactions based on the asymmetric EDO-TTF derivatives |
Authors of publication | Shao, Xiangfeng; Nakano, Yoshiaki; Yamochi, Hideki; Dubrovskiy, Alexander D.; Otsuka, Akihiro; Murata, Tsuyoshi; Yoshida, Yukihiro; Saito, Gunzi; Koshihara, Shin-ya |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2008 |
Journal volume | 18 |
Journal issue | 18 |
Pages of publication | 2131 |
a | 27.474 ± 0.006 Å |
b | 11.463 ± 0.003 Å |
c | 7.459 ± 0.0014 Å |
α | 90° |
β | 96.485 ± 0.016° |
γ | 90° |
Cell volume | 2334.1 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 295 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0546 |
Residual factor for significantly intense reflections | 0.0546 |
Weighted residual factors for significantly intense reflections | 0.1701 |
Weighted residual factors for all reflections included in the refinement | 0.1701 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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