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Information card for entry 4134743
Preview
| Coordinates | 4134743.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H43 F18 N13 P3 V |
|---|---|
| Calculated formula | C40 H43 F18 N13 P3 V |
| Title of publication | A Vanadium(III) Complex with Blue and NIR-II Spin-Flip Luminescence in Solution. |
| Authors of publication | Dorn, Matthias; Kalmbach, Jens; Boden, Pit; Päpcke, Ayla; Gómez, Sandra; Förster, Christoph; Kuczelinis, Felix; Carrella, Luca M.; Büldt, Laura A; Bings, Nicolas H.; Rentschler, Eva; Lochbrunner, Stefan; González, Leticia; Gerhards, Markus; Seitz, Michael; Heinze, Katja |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2020 |
| Journal volume | 142 |
| Journal issue | 17 |
| Pages of publication | 7947 - 7955 |
| a | 11.483 ± 0.002 Å |
| b | 11.901 ± 0.002 Å |
| c | 18.093 ± 0.004 Å |
| α | 90.88 ± 0.03° |
| β | 96.38 ± 0.03° |
| γ | 91.6 ± 0.03° |
| Cell volume | 2455.9 ± 0.8 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0548 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.106 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301835 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/13/ Each referenced PubChem compound corresponds to the full crystal structure. |
4134743.cif |
| 251438 | 2020-05-04 | cif/ Updating files of 4134743 Original log message: Adding full bibliography for 4134743.cif. |
4134743.cif |
| 250893 | 2020-04-17 | cif/ Adding structures of 4134743 via cif-deposit CGI script. |
4134743.cif |
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Users of the data should acknowledge the original authors of the
structural data.