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Information card for entry 7129424
Preview
| Coordinates | 7129424.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H24 B2 N12 |
|---|---|
| Calculated formula | C14 H24 B2 N12 |
| SMILES | N12C3=[N](CCCN3CCC1)[B]1(N3C4=[N](CCCN4CCC3)[B]21N=N#N)N=N#N |
| Title of publication | Derivatization of an especially electron-rich diborane |
| Authors of publication | Vogler, Daniel; Haas, Lea; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 15.8187 ± 0.0018 Å |
| b | 13.1616 ± 0.0015 Å |
| c | 8.5854 ± 0.001 Å |
| α | 90° |
| β | 99.123 ± 0.003° |
| γ | 90° |
| Cell volume | 1764.9 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| 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 | 0.1022 |
| Residual factor for significantly intense reflections | 0.0905 |
| Weighted residual factors for significantly intense reflections | 0.225 |
| Weighted residual factors for all reflections included in the refinement | 0.2297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.161 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271516 (current) | 2021-12-19 | cif/ Adding structures of 7129422, 7129423, 7129424, 7129425, 7129426, 7129427, 7129428 via cif-deposit CGI script. |
7129424.cif |
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Users of the data should acknowledge the original authors of the
structural data.