Information card for entry 1563669
| Formula |
C98 H136 Fe2 K2 N4 O8 |
| Calculated formula |
C98 H136 Fe2 K2 N4 O8 |
| Title of publication |
A high-spin diradical dianion and its bridged chemically switchable single-molecule magnet |
| Authors of publication |
Cui, Haiyan; Hu, Zhaobo; Chen, Chao; Ruan, Huapeng; Fang, Yong; Zhang, Li; Zhao, Yue; Tan, Gengwen; Song, You; Wang, Xinping |
| Journal of publication |
Chemical Science |
| Year of publication |
2021 |
| a |
13.1826 ± 0.0007 Å |
| b |
13.9086 ± 0.0007 Å |
| c |
19.523 ± 0.0011 Å |
| α |
92.382 ± 0.002° |
| β |
107.892 ± 0.002° |
| γ |
116.504 ± 0.002° |
| Cell volume |
2980.6 ± 0.3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0609 |
| Residual factor for significantly intense reflections |
0.052 |
| Weighted residual factors for significantly intense reflections |
0.1532 |
| Weighted residual factors for all reflections included in the refinement |
0.1616 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1563669.html
