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Information card for entry 1550885
Preview
| Coordinates | 1550885.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H130 Dy2 N4 O14 |
|---|---|
| Calculated formula | C78 H130 Dy2 N4 O14 |
| Title of publication | Quantum Tunnelling of the Magnetisation in Single-Molecule Magnet Isotopologue Dimers |
| Authors of publication | Moreno-Pineda, Eufemio; Taran, Gheorghe; Wernsdorfer, Wolfgang; Ruben, Mario |
| Journal of publication | Chemical Science |
| Year of publication | 2019 |
| a | 10.8671 ± 0.0002 Å |
| b | 13.8736 ± 0.0003 Å |
| c | 14.8582 ± 0.0003 Å |
| α | 91.995 ± 0.002° |
| β | 93.347 ± 0.002° |
| γ | 107.53 ± 0.002° |
| Cell volume | 2129.2 ± 0.08 Å3 |
| Cell temperature | 180 K |
| Ambient diffraction temperature | 180 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0282 |
| Residual factor for significantly intense reflections | 0.0241 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0619 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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 |
|---|---|---|---|
| 214637 (current) | 2019-04-16 | cif/ Adding structures of 1550884, 1550885 via cif-deposit CGI script. |
1550885.cif |
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Users of the data should acknowledge the original authors of the
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