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Information card for entry 4347388
Preview
| Coordinates | 4347388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C80 H60 B4 Co4 F16 N32 |
|---|---|
| Calculated formula | C80 H60 B4 Co4 F16 N32 |
| Title of publication | Redox-Induced Single-Molecule Magnetism in Mixed-Valent [2 × 2] Co4 Grid Complexes. |
| Authors of publication | Tong, Jin; Demeshko, Serhiy; John, Michael; Dechert, Sebastian; Meyer, Franc |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2016 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 4362 - 4372 |
| a | 17.2359 ± 0.0003 Å |
| b | 17.2359 ± 0.0003 Å |
| c | 13.2617 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3939.74 ± 0.11 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 86 |
| Hermann-Mauguin space group symbol | P 42/n :2 |
| Hall space group symbol | -P 4bc |
| Residual factor for all reflections | 0.0359 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4347388.cif |
| 232300 | 2019-11-23 | cif/ Adding structures of 4347387, 4347388, 4347389, 4347390 via cif-deposit CGI script. |
4347388.cif |
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Users of the data should acknowledge the original authors of the
structural data.