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CIF Information Card
Information card for 7206029
7206028 << 7206029 >> 7206030Preview
|
Coordinates |
7206029.cif |
Structure parameters
| Common name | (EDTTTFImH)2(CNA) |
| Chemical name | (EDTTTFImH)2(CNA) |
| Formula | - C15 H9 N3 O2 S6 - |
| Calculated formula | - C15 H9 N3 O2 S6 - |
| 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 | 9.762 ± 0.005 Å |
| b | 10.467 ± 0.008 Å |
| c | 10.572 ± 0.007 Å |
| α | 92.16 ± 0.03° |
| β | 114.66 ± 0.02° |
| γ | 112.01 ± 0.02° |
| Cell volume | 885.7 ± 1 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0451 |
| Residual factor for observed reflections | 0.0333 |
| Weighted residual factors for the observed reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.1043 |
| Goodness-of-fit parameter for observed reflections | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |