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Information card for entry 7049253
Preview
| Coordinates | 7049253.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C58 H54 Dy2 F6 N6 O12 S2 |
|---|---|
| Calculated formula | C58 H54 Dy2 F6 N6 O12 S2 |
| Title of publication | High local coordination symmetry around the spin center and the alignment between magnetic and symmetric axes together play a crucial role in single-molecule magnet performance. |
| Authors of publication | Yang, Zhao-Fu; Tian, Yong-Mei; Zhang, Wan-Ying; Chen, Peng; Li, Hong-Feng; Zhang, Yi-Quan; Sun, Wen-Bin |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 15 |
| Pages of publication | 4931 - 4940 |
| a | 11.1327 ± 0.0009 Å |
| b | 11.705 ± 0.0011 Å |
| c | 12.383 ± 0.001 Å |
| α | 99.306 ± 0.007° |
| β | 96.452 ± 0.007° |
| γ | 105.332 ± 0.007° |
| Cell volume | 1515.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0804 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.1208 |
| Weighted residual factors for all reflections included in the refinement | 0.1369 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7049253.cif |
| 224380 | 2019-11-08 | cif/ Updating files of 7049253, 7049254, 7049255, 7049256, 7049257, 7049258 Original log message: Adding full bibliography for 7049253--7049258.cif. |
7049253.cif |
| 214057 | 2019-03-09 | cif/ Adding structures of 7049253, 7049254, 7049255, 7049256, 7049257, 7049258 via cif-deposit CGI script. |
7049253.cif |
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Users of the data should acknowledge the original authors of the
structural data.