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Information card for entry 1546311
Preview
| Coordinates | 1546311.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H26 N2 O2 S2 |
|---|---|
| Calculated formula | C26.86 H25.895 N2 O2 S1.965 |
| SMILES | s1cccc1c1ccc(O)c(c1)/C=N/CC(C)(C)C/N=C/c1c(O)ccc(c1)c1sccc1 |
| Title of publication | Effect of Conjugation Length and Metal-Backbone Interactions on Charge Transport Properties of Conducting Metallopolymers |
| Authors of publication | Nguyen, Minh T.; Jones, Richard A.; Holliday, Bradley |
| Journal of publication | Polym. Chem. |
| Year of publication | 2017 |
| a | 5.7227 ± 0.0018 Å |
| b | 12.3378 ± 0.0037 Å |
| c | 33.1425 ± 0.0107 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2340 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0759 |
| Residual factor for significantly intense reflections | 0.0645 |
| Weighted residual factors for significantly intense reflections | 0.1613 |
| Weighted residual factors for all reflections included in the refinement | 0.1703 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.92 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197801 (current) | 2017-06-14 | cif/ Adding structures of 1546308, 1546309, 1546310, 1546311, 1546312 via cif-deposit CGI script. |
1546311.cif |
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Users of the data should acknowledge the original authors of the
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