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Information card for entry 7247580
Preview
| Coordinates | 7247580.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 Br N O4 |
|---|---|
| Calculated formula | C15 H16 Br N O4 |
| Title of publication | New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation |
| Authors of publication | Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata |
| Journal of publication | CrystEngComm |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 44 |
| Pages of publication | 6185 - 6193 |
| a | 4.7204 ± 0.0001 Å |
| b | 21.155 ± 0.0005 Å |
| c | 15.1364 ± 0.0003 Å |
| α | 90° |
| β | 92.616 ± 0.002° |
| γ | 90° |
| Cell volume | 1509.95 ± 0.06 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0491 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.1075 |
| Weighted residual factors for all reflections included in the refinement | 0.1102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 288773 (current) | 2024-01-06 | cif/ Updating files of 7247579, 7247580, 7247581, 7247582, 7247583, 7247584, 7247585 Original log message: Adding full bibliography for 7247579--7247585.cif. |
7247580.cif |
| 287127 | 2023-10-27 | cif/ Adding structures of 7247579, 7247580, 7247581, 7247582, 7247583, 7247584, 7247585 via cif-deposit CGI script. |
7247580.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.