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Information card for entry 7201872
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Coordinates | 7201872.cif |
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Original paper (by DOI) | HTML |
External links | ChemSpider |
Common name | 4,5-ethylenedioxy-4'-methylthiotetrathiafulvalene' |
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Chemical name | 4,5-ethylenedioxy-4'-methylthiotetrathiafulvalene' |
Formula | C9 H8 O2 S5 |
Calculated formula | C9 H8 O2 S5 |
SMILES | S1C(SC2=C1OCCO2)=C1SC=C(S1)SC |
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 | 13.681 ± 0.001 Å |
b | 17.438 ± 0.0013 Å |
c | 10.53 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2512.1 ± 0.3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0772 |
Residual factor for significantly intense reflections | 0.0489 |
Weighted residual factors for significantly intense reflections | 0.1304 |
Weighted residual factors for all reflections included in the refinement | 0.1441 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7201872.html
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