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Information card for entry 7703598
Preview
| Coordinates | 7703598.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H9 N Se |
|---|---|
| Calculated formula | C13 H9 N Se |
| SMILES | [se]1c2c(cc1c1ncccc1)cccc2 |
| Title of publication | Benzoselenophenylpyridine platinum complexes: green versus red phosphorescence towards hybrid OLEDs. |
| Authors of publication | Petrenko, Alla; Leitonas, Karolis; Volyniuk, Dmytro; Baryshnikov, Gleb V.; Belyakov, Sergey; Minaev, Boris F.; Ågren, Hans; Durgaryan, Hranush; GraŽulevičius, Juozas Vidas; Arsenyan, Pavel |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 11 |
| Pages of publication | 3393 - 3397 |
| a | 5.8878 ± 0.0002 Å |
| b | 8.7611 ± 0.0003 Å |
| c | 20.3085 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1047.59 ± 0.06 Å3 |
| Cell temperature | 163 ± 2 K |
| Ambient diffraction temperature | 163 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0324 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703598.cif |
| 250304 | 2020-04-05 | cif/ Updating files of 7703596, 7703597, 7703598 Original log message: Adding full bibliography for 7703596--7703598.cif. |
7703598.cif |
| 248477 | 2020-02-27 | cif/ Adding structures of 7703596, 7703597, 7703598 via cif-deposit CGI script. |
7703598.cif |
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Users of the data should acknowledge the original authors of the
structural data.