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Information card for entry 4517318
Preview
| Coordinates | 4517318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C108 H94 O26 S8 Zn3 |
|---|---|
| Calculated formula | C96 H58 O20 S8 Zn3 |
| Title of publication | The Advent of Electrically Conducting Double-Helical Metal-Organic Frameworks Featuring Butterfly-Shaped Electron-Rich π-Extended Tetrathiafulvalene Ligands. |
| Authors of publication | Gordillo, Monica A.; Benavides, Paola A.; Panda, Dillip K.; Saha, Sourav |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2020 |
| a | 16.0799 ± 0.0018 Å |
| b | 18.649 ± 0.002 Å |
| c | 19.39 ± 0.002 Å |
| α | 102.207 ± 0.003° |
| β | 114.118 ± 0.003° |
| γ | 93.054 ± 0.003° |
| Cell volume | 5123 ± 1 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1425 |
| Residual factor for significantly intense reflections | 0.1046 |
| Weighted residual factors for significantly intense reflections | 0.2607 |
| Weighted residual factors for all reflections included in the refinement | 0.2887 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 246970 (current) | 2020-01-18 | cif/ Adding structures of 4517318 via cif-deposit CGI script. |
4517318.cif |
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Users of the data should acknowledge the original authors of the
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