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Information card for entry 1546308
Preview
| Coordinates | 1546308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H28 N2 Ni O2 S4 |
|---|---|
| Calculated formula | C35 H28 N2 Ni O2 S4 |
| SMILES | [Ni]123Oc4ccc(c5sc(c6sccc6)cc5)cc4C=[N]3CC(C)(C[N]2=Cc2cc(ccc2O1)c1sc(cc1)c1sccc1)C |
| 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 | 7.5151 ± 0.0037 Å |
| b | 35.334 ± 0.0164 Å |
| c | 11.4224 ± 0.0055 Å |
| α | 90° |
| β | 90.44° |
| γ | 90° |
| Cell volume | 3033 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0852 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.1216 |
| Weighted residual factors for all reflections included in the refinement | 0.1331 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| 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. |
1546308.cif |
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Users of the data should acknowledge the original authors of the
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