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Information card for entry 1574989
Preview
| Coordinates | 1574989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H17 B N2 O S Si |
|---|---|
| Calculated formula | C14 H17 B N2 O S Si |
| 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 | 8.7713 ± 0.0001 Å |
| b | 9.3831 ± 0.0001 Å |
| c | 10.1855 ± 0.0001 Å |
| α | 84.231 ± 0.001° |
| β | 69.773 ± 0.001° |
| γ | 75.245 ± 0.001° |
| Cell volume | 760.579 ± 0.015 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0304 |
| Weighted residual factors for significantly intense reflections | 0.0868 |
| Weighted residual factors for all reflections included in the refinement | 0.0872 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| 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. |
1574989.cif |
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Users of the data should acknowledge the original authors of the
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