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Information card for entry 1552412
Preview
| Coordinates | 1552412.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C198 H174 Mg6 N12 |
|---|---|
| Calculated formula | C198 H174 Mg6 N12 |
| Title of publication | Hydrocarbon-soluble, hexaanionic fulleride complexes of magnesium |
| Authors of publication | Lawrence, Samuel R.; Ohlin, C. André; Cordes, David Bradford; Slawin, Alexandra; Stasch, Andreas |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 18.2173 ± 0.0008 Å |
| b | 30.2552 ± 0.0011 Å |
| c | 33.8828 ± 0.0013 Å |
| α | 90° |
| β | 102.678 ± 0.004° |
| γ | 90° |
| Cell volume | 18219.8 ± 1.3 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1505 |
| Residual factor for significantly intense reflections | 0.0894 |
| Weighted residual factors for significantly intense reflections | 0.2212 |
| Weighted residual factors for all reflections included in the refinement | 0.2648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.954 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219228 (current) | 2019-10-10 | cif/ Adding structures of 1552406, 1552407, 1552408, 1552409, 1552410, 1552411, 1552412, 1552413, 1552414 via cif-deposit CGI script. |
1552412.cif |
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Users of the data should acknowledge the original authors of the
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