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Information card for entry 1559867
Preview
| Coordinates | 1559867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C256 H106 Dy2 N8 Ni2 S6 Sc2 |
|---|---|
| Calculated formula | C256 H106 Dy2.0004 N8 Ni2 S6 Sc2.0004 |
| Title of publication | High blocking temperatures for DyScS endohedral fullerene single-molecule magnets |
| Authors of publication | Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 48 |
| Pages of publication | 13129 - 13136 |
| a | 26.8856 ± 0.0018 Å |
| b | 17.1624 ± 0.0011 Å |
| c | 17.8103 ± 0.0012 Å |
| α | 90° |
| β | 106.578 ± 0.003° |
| γ | 90° |
| Cell volume | 7876.4 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.1966 |
| Residual factor for significantly intense reflections | 0.1636 |
| Weighted residual factors for significantly intense reflections | 0.3708 |
| Weighted residual factors for all reflections included in the refinement | 0.3882 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.647 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 260154 (current) | 2020-12-26 | cif/ Adding structures of 1559866, 1559867 via cif-deposit CGI script. |
1559867.cif |
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