Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1552407
Preview
| Coordinates | 1552407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C133 H97 Mg2 N4 |
|---|---|
| Calculated formula | C133 H97 Mg2 N4 |
| 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 | 14.551 ± 0.003 Å |
| b | 14.651 ± 0.002 Å |
| c | 22.814 ± 0.004 Å |
| α | 96.351 ± 0.003° |
| β | 103.923 ± 0.005° |
| γ | 91.039 ± 0.005° |
| Cell volume | 4686.7 ± 1.4 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1144 |
| Residual factor for significantly intense reflections | 0.0643 |
| Weighted residual factors for significantly intense reflections | 0.1586 |
| Weighted residual factors for all reflections included in the refinement | 0.1857 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.939 |
| 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. |
1552407.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.