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Information card for entry 1573083
Preview
| Coordinates | 1573083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35.5 H27 Cr F9 N7 O9.5 S7 |
|---|---|
| Calculated formula | C35.5 H27 Cr F9 N7 O9.5 S7 |
| Title of publication | Bridge Editing of Spin-Flip Emitters gives Insight into Excited State Energies and Dynamics |
| Authors of publication | Reichenauer, Florian; Naumann, Robert; Förster, Christoph; Kitzmann, Winald Robert Robert; Reponen, Antti-Pekka M.; Feldmann, Sascha; Heinze, Katja |
| Journal of publication | Chemical Science |
| Year of publication | 2024 |
| a | 14.7224 ± 0.0003 Å |
| b | 13.3391 ± 0.0003 Å |
| c | 22.869 ± 0.0005 Å |
| α | 90° |
| β | 93.81 ± 0.002° |
| γ | 90° |
| Cell volume | 4481.17 ± 0.17 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0618 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1213 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 295868 (current) | 2024-11-12 | cif/ Adding structures of 1573081, 1573082, 1573083 via cif-deposit CGI script. |
1573083.cif |
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Users of the data should acknowledge the original authors of the
structural data.