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CIF Information Card
Information card for 4107184
4107183 << 4107184 >> 4107185Preview
|
Coordinates |
4107184.cif |
Structure parameters
| Formula | - C6 H16 B N O2 - |
| Calculated formula | - C6 H16 B N O2 - |
| Title of publication | A Single-Component Liquid-Phase Hydrogen Storage Material |
| Authors of publication | Wei Luo; Patrick G. Campbell; Lev N. Zakharov; Shih-Yuan Liu |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2011 |
| Journal volume | 133 |
| Pages of publication | 19326 - 19329 |
| a | 7.8247 ± 0.0014 Å |
| b | 15.827 ± 0.003 Å |
| c | 13.759 ± 0.002 Å |
| α | 90° |
| β | 91.391 ± 0.003° |
| γ | 90° |
| Cell volume | 1703.4 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.1099 |
| Residual factor for observed reflections | 0.067 |
| Weighted residual factors for the observed reflections | 0.147 |
| Weighted residual factors for all reflections included in the refinement | 0.1701 |
| Goodness-of-fit parameter for observed reflections | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |