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Information card for entry 7706390
Preview
| Coordinates | 7706390.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H30 Br2 Dy F9 N2 O6 |
|---|---|
| Calculated formula | C52 H30 Br2 Dy F9 N2 O6 |
| Title of publication | Regulating the magnetic dynamics of mononuclear β-diketone Dy(iii) single-molecule magnets through the substitution effect on capping N-donor coligands. |
| Authors of publication | Xi, Jing; Ma, Xiufang; Cen, Peipei; Wu, Yuewei; Zhang, Yi-Quan; Guo, Yan; Yang, Jinhui; Chen, Lei; Liu, Xiangyu |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2021 |
| Journal volume | 50 |
| Journal issue | 6 |
| Pages of publication | 2102 - 2111 |
| a | 18.614 ± 0.005 Å |
| b | 11.155 ± 0.003 Å |
| c | 23.874 ± 0.006 Å |
| α | 90° |
| β | 101.322 ± 0.008° |
| γ | 90° |
| Cell volume | 4861 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.121 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.0985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7706390.cif |
| 262631 | 2021-03-05 | cif/ Updating files of 7706390, 7706391, 7706392, 7706393, 7706394 Original log message: Adding full bibliography for 7706390--7706394.cif. |
7706390.cif |
| 260935 | 2021-01-14 | cif/ Adding structures of 7706390, 7706391, 7706392, 7706393, 7706394 via cif-deposit CGI script. |
7706390.cif |
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Users of the data should acknowledge the original authors of the
structural data.