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Information card for entry 1557827
Preview
| Coordinates | 1557827.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Dy2O@C2(13333)-C74 |
|---|---|
| Formula | C117 H50 Dy2 N4 Ni O S2 |
| Calculated formula | C117 H50 Dy2 N4 Ni O S2 |
| Title of publication | Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle |
| Authors of publication | Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A. |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 18 |
| Pages of publication | 4766 - 4772 |
| a | 17.914 ± 0.002 Å |
| b | 16.589 ± 0.002 Å |
| c | 25.753 ± 0.003 Å |
| α | 90° |
| β | 106.775 ± 0.004° |
| γ | 90° |
| Cell volume | 7327.5 ± 1.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1495 |
| Residual factor for significantly intense reflections | 0.1286 |
| Weighted residual factors for significantly intense reflections | 0.3121 |
| Weighted residual factors for all reflections included in the refinement | 0.3277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257392 (current) | 2020-10-06 | cif/ Updating files of 1557826, 1557827 Original log message: Adding full bibliography for 1557826--1557827.cif. |
1557827.cif |
| 252743 | 2020-06-05 | cif/ Updating files of 1557826, 1557827 Original log message: Adding full bibliography for 1557826--1557827.cif. |
1557827.cif |
| 250958 | 2020-04-21 | cif/ Adding structures of 1557826, 1557827 via cif-deposit CGI script. |
1557827.cif |
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