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Information card for entry 1552274
Preview
| Coordinates | 1552274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H24 B3 N3 |
|---|---|
| Calculated formula | C24 H24 B3 N3 |
| Title of publication | Borazatruxenes |
| Authors of publication | Limberti, Simone; Emmett, Liam; Trandafir, Anamaria; Kociok-Köhn, Gabriele; Pantoș, G. Dan |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 20.4365 ± 0.0005 Å |
| b | 20.4365 ± 0.0005 Å |
| c | 8.654 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3130.12 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.01 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0411 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.0995 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 217802 (current) | 2019-08-29 | cif/ Adding structures of 1552272, 1552273, 1552274 via cif-deposit CGI script. |
1552274.cif |
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Users of the data should acknowledge the original authors of the
structural data.