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Information card for entry 7112215
Preview
| Coordinates | 7112215.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C92 H20 S8 |
|---|---|
| Calculated formula | C92 H20 S8 |
| Title of publication | Supramolecular association behavior of a strong C60 receptor with conjugated pentacene and tetrathiafulvalene moieties in solution and in the solid state |
| Authors of publication | Zhongmin Zhou; Yunke Qin; Wei Xu; Daoben Zhu |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 4082 |
| a | 15.613 ± 0.003 Å |
| b | 16.742 ± 0.003 Å |
| c | 21.236 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5550.9 ± 1.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0981 |
| Residual factor for significantly intense reflections | 0.0953 |
| Weighted residual factors for significantly intense reflections | 0.2419 |
| Weighted residual factors for all reflections included in the refinement | 0.2442 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.