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Information card for entry 7700893
Preview
| Coordinates | 7700893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H22 N P |
|---|---|
| Calculated formula | C21 H22 N P |
| Title of publication | Highly soluble fluorine containing Cu(i) AlkylPyrPhos TADF complexes. |
| Authors of publication | Busch, Jasmin M.; Zink, Daniel M.; Di Martino-Fumo, Patrick; Rehak, Florian R.; Boden, Pit; Steiger, Sophie; Fuhr, Olaf; Nieger, Martin; Klopper, Wim; Gerhards, Markus; Bräse, Stefan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 41 |
| Pages of publication | 15687 - 15698 |
| a | 10.917 ± 0.0006 Å |
| b | 14.2236 ± 0.001 Å |
| c | 11.8139 ± 0.0006 Å |
| α | 90° |
| β | 103.375 ± 0.004° |
| γ | 90° |
| Cell volume | 1784.7 ± 0.19 Å3 |
| Cell temperature | 180.15 K |
| Ambient diffraction temperature | 180.15 K |
| Number of distinct elements | 4 |
| 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 | 0.0823 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1272 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| 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. |
7700893.cif |
| 223906 | 2019-11-07 | cif/ Updating files of 7700890, 7700891, 7700892, 7700893, 7700894, 7700895, 7700896, 7700897, 7700898 Original log message: Adding full bibliography for 7700890--7700898.cif. |
7700893.cif |
| 217651 | 2019-08-22 | cif/ Adding structures of 7700890, 7700891, 7700892, 7700893, 7700894, 7700895, 7700896, 7700897, 7700898 via cif-deposit CGI script. |
7700893.cif |
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Users of the data should acknowledge the original authors of the
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