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Information card for entry 7250547
Preview
| Coordinates | 7250547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H44 Au F3 N4 |
|---|---|
| Calculated formula | C38 H44 Au F3 N4 |
| Title of publication | Deep-Blue Thermally Activated Delayed Fluorescence from a CF3-substituted Carbene-Metal-Amide Complex |
| Authors of publication | Brannan, Alexander C.; Phuoc, Nguyen Le; Linnolahti, Mikko; Romanov, Alexander S. |
| Journal of publication | Physical Chemistry Chemical Physics |
| Year of publication | 2025 |
| a | 10.1448 ± 0.0003 Å |
| b | 15.7992 ± 0.0004 Å |
| c | 22.586 ± 0.0006 Å |
| α | 90° |
| β | 96.966 ± 0.003° |
| γ | 90° |
| Cell volume | 3593.36 ± 0.17 Å3 |
| Cell temperature | 99.97 ± 0.18 K |
| Ambient diffraction temperature | 99.97 ± 0.18 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0782 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1528 |
| Weighted residual factors for all reflections included in the refinement | 0.1553 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300055 (current) | 2025-06-12 | cif/ Adding structures of 7250547 via cif-deposit CGI script. |
7250547.cif |
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Users of the data should acknowledge the original authors of the
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