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Information card for entry 1563669
Preview
| Coordinates | 1563669.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 266646 (current) | 2021-06-24 | cif/ Adding structures of 1563666, 1563667, 1563668, 1563669 via cif-deposit CGI script. |
1563669.cif |
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Users of the data should acknowledge the original authors of the
structural data.