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Information card for entry 7229910
Preview
| Coordinates | 7229910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H26 Co N6 O8 |
|---|---|
| Calculated formula | C28 H26 Co N6 O8 |
| SMILES | [Co]123(OC(=O)c4[n]2c([nH]c4C(=O)O)CCC)(OC(=O)c2[n]1c([nH]c2C(=O)O)CCC)[n]1c2c(ccc4c2[n]3ccc4)ccc1 |
| Title of publication | Field-induced slow relaxation of magnetization in a distorted octahedral mononuclear high-spin Co(ii) complex |
| Authors of publication | Wei, Hai-Wen; Yang, Qing-Feng; Lai, Xiao-Yong; Wang, Xiao-Zhong; Yang, Tian-Lin; Hou, Qin; Liu, Xiang-Yu |
| Journal of publication | CrystEngComm |
| Year of publication | 2018 |
| Journal volume | 20 |
| Journal issue | 7 |
| Pages of publication | 962 |
| a | 15.286 ± 0.003 Å |
| b | 9.921 ± 0.002 Å |
| c | 19.852 ± 0.004 Å |
| α | 90° |
| β | 108.46 ± 0.03° |
| γ | 90° |
| Cell volume | 2855.7 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0822 |
| Residual factor for significantly intense reflections | 0.0511 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1151 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229910.cif |
| 229069 | 2019-11-17 | cif/ Updating files of 7229910, 7229911 Original log message: Adding full bibliography for 7229910--7229911.cif. |
7229910.cif |
| 204962 | 2018-01-09 | cif/ Adding structures of 7229910, 7229911 via cif-deposit CGI script. |
7229910.cif |
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Users of the data should acknowledge the original authors of the
structural data.