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CIF Information Card
Information card for 7206028
7206027 << 7206028 >> 7206029Preview
|
Coordinates |
7206028.cif |
Structure parameters
| Common name | (EDTTTFImH)2(CLA) |
| Chemical name | (EDTTTFImH)2(CLA) |
| Formula | - C28 H18 Cl2 N4 O4 S12 - |
| Calculated formula | - C28 H18 Cl2 N4 O4 S12 - |
| Title of publication | Proton-transfer salts between an EDT-TTF derivative having imidazole-ring and anilic acids: multi-dimensional networks by acid‒base hydrogen-bonds, π-stacks and chalcogen atom interactions |
| Authors of publication | Murata, Tsuyoshi; Yakiyama, Yumi; Nakasuji, Kazuhiro; Morita, Yasushi |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 11 |
| Pages of publication | 3689 |
| a | 16.382 ± 0.0014 Å |
| b | 10.512 ± 0.0004 Å |
| c | 21.654 ± 0.002 Å |
| α | 90° |
| β | 108.56 ± 0.004° |
| γ | 90° |
| Cell volume | 3535 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | C 1 2/c 1 |
| Hall symmetry space group | -C 2yc |
| Residual factor for all reflections | 0.0479 |
| Residual factor for observed reflections | 0.0362 |
| Weighted residual factors for the observed reflections | 0.0865 |
| Weighted residual factors for all reflections included in the refinement | 0.0922 |
| Goodness-of-fit parameter for observed reflections | 1.042 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |