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Information card for entry 1574990
Preview
| Coordinates | 1574990.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 B N2 S |
|---|---|
| Calculated formula | C17 H13 B N2 S |
| Title of publication | Tuning the emission properties of luminescent 1,2,3-diazaborinates |
| Authors of publication | Wüst, Leonie; Chorbacher, Johannes; Keim, Timo; Wellnitz, Tim; Spieß, Julian; Wieprecht, Nele; Michel, Maximilian; Helten, Holger; Braunschweig, Holger |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 11.1933 ± 0.0002 Å |
| b | 9.5312 ± 0.0002 Å |
| c | 13.974 ± 0.0003 Å |
| α | 90° |
| β | 101.575 ± 0.002° |
| γ | 90° |
| Cell volume | 1460.51 ± 0.05 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0519 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1298 |
| Weighted residual factors for all reflections included in the refinement | 0.1324 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~2,3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300269 (current) | 2025-07-01 | cif/ Adding structures of 1574989, 1574990 via cif-deposit CGI script. |
1574990.cif |
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Users of the data should acknowledge the original authors of the
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