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Information card for entry 7703401
Preview
| Coordinates | 7703401.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H31 Cl2 Fe N7 O8 |
|---|---|
| Calculated formula | C31 H31 Cl2 Fe N7 O8 |
| Title of publication | A capped trigonal prismatic cobalt(ii) complex as a structural archetype for single-ion magnets. |
| Authors of publication | Yi, Gangji; Cui, Huihui; Zhang, Chunyang; Zhao, Wen; Chen, Lei; Zhang, Yi-Quan; Chen, Xue-Tai; Song, You; Yuan, Aihua |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 7 |
| Pages of publication | 2063 - 2067 |
| a | 11.5246 ± 0.0008 Å |
| b | 12.2303 ± 0.0009 Å |
| c | 14.0274 ± 0.0011 Å |
| α | 111.348 ± 0.004° |
| β | 97.401 ± 0.004° |
| γ | 111.538 ± 0.004° |
| Cell volume | 1632.4 ± 0.2 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 | 0.0852 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1601 |
| Weighted residual factors for all reflections included in the refinement | 0.1985 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7703401.cif |
| 248958 | 2020-03-05 | cif/ Updating files of 7703400, 7703401 Original log message: Adding full bibliography for 7703400--7703401.cif. |
7703401.cif |
| 247369 | 2020-01-30 | cif/ Adding structures of 7703400, 7703401 via cif-deposit CGI script. |
7703401.cif |
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Users of the data should acknowledge the original authors of the
structural data.