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Information card for entry 1556418
Preview
| Coordinates | 1556418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H55 Al B2 N4 |
|---|---|
| Calculated formula | C31 H55 Al B2 N4 |
| SMILES | [BH2](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](C)([AlH2][N]([BH3])(C)C)C |
| Title of publication | NHI- and NHC-Supported Al(III) Hydrides for Amine-Borane Dehydrocoupling Catalysis |
| Authors of publication | Weetman, C.; Ito, N.; Unno, M.; Hanusch, F.; Inoue, S. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 92 |
| a | 10.135 ± 0.009 Å |
| b | 18.687 ± 0.014 Å |
| c | 19.155 ± 0.015 Å |
| α | 90° |
| β | 104.73 ± 0.02° |
| γ | 90° |
| Cell volume | 3509 ± 5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 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 | 0.0877 |
| Residual factor for significantly intense reflections | 0.0574 |
| Weighted residual factors for significantly intense reflections | 0.1194 |
| Weighted residual factors for all reflections included in the refinement | 0.1319 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244885 (current) | 2019-12-03 | cif/ Adding structures of 1556418 via cif-deposit CGI script. |
1556418.cif |
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Users of the data should acknowledge the original authors of the
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