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Information card for entry 7244010
Preview
| Coordinates | 7244010.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C4 H12 B N |
|---|---|
| Calculated formula | C4 H12 B N |
| Title of publication | A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes |
| Authors of publication | Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 54 |
| Pages of publication | 34132 - 34136 |
| a | 10.6 ± 0.04 Å |
| b | 6.32 ± 0.02 Å |
| c | 9.48 ± 0.03 Å |
| α | 90° |
| β | 96.06 ± 0.03° |
| γ | 90° |
| Cell volume | 632 ± 4 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.096 |
| Residual factor for significantly intense reflections | 0.071 |
| Weighted residual factors for significantly intense reflections | 0.1778 |
| Weighted residual factors for all reflections included in the refinement | 0.1964 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.075 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271137 (current) | 2021-12-07 | cif/ Adding structures of 7244010, 7244011, 7244012, 7244013 via cif-deposit CGI script. |
7244010.cif |
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Users of the data should acknowledge the original authors of the
structural data.