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Information card for entry 7715730
Preview
| Coordinates | 7715730.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H13 B Br2 N2 O2 |
|---|---|
| Calculated formula | C17 H13 B Br2 N2 O2 |
| Title of publication | Boron bis-(4-methylbenzoxazol-2-yl)-methanide complexes |
| Authors of publication | Wang, Xiaobai; Rüttger, Franziska; Kretsch, Johannes; Kreyenschmidt, Anne; Herbst-Irmer, Regine; Stalke, Dietmar |
| Journal of publication | Dalton Transactions |
| Year of publication | 2024 |
| a | 6.877 ± 0.002 Å |
| b | 14.447 ± 0.003 Å |
| c | 7.97 ± 0.002 Å |
| α | 90° |
| β | 93.81 ± 0.02° |
| γ | 90° |
| Cell volume | 790.1 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0354 |
| Weighted residual factors for significantly intense reflections | 0.0649 |
| Weighted residual factors for all reflections included in the refinement | 0.0686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291211 (current) | 2024-04-16 | cif/ Adding structures of 7715728, 7715729, 7715730, 7715731 via cif-deposit CGI script. |
7715730.cif |
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Users of the data should acknowledge the original authors of the
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