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Information card for entry 7233873
Preview
| Coordinates | 7233873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 I3 N3 |
|---|---|
| Calculated formula | C10 H10 I3 N3 |
| SMILES | I[I-]I.[nH+]1ccccc1Nc1ncccc1 |
| Title of publication | Weak intermolecular interactions promote blue luminescence of protonated 2,2'-dipyridylamine salts |
| Authors of publication | Alexander N. Chernyshev; Dmitry Morozov; Jarkko Mutanen; Vadim Yu Kukushkin; Gerrit Groenhof; Matti Haukka |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2014 |
| Journal volume | 2 |
| Pages of publication | 8285 - 8294 |
| a | 8.9204 ± 0.0008 Å |
| b | 9.0608 ± 0.0007 Å |
| c | 9.6164 ± 0.0008 Å |
| α | 82.098 ± 0.003° |
| β | 87.091 ± 0.003° |
| γ | 65.791 ± 0.003° |
| Cell volume | 702.15 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0329 |
| Residual factor for significantly intense reflections | 0.0285 |
| Weighted residual factors for significantly intense reflections | 0.0848 |
| Weighted residual factors for all reflections included in the refinement | 0.0876 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218319 (current) | 2019-09-16 | cif/ Adding structures of 7233873 via cif-deposit CGI script. |
7233873.cif |
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Users of the data should acknowledge the original authors of the
structural data.