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Information card for entry 2020582
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| Coordinates | 2020582.cif |
|---|---|
| Structure factors | 2020582.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis{μ~3~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis{μ~2~-(<i>E</i>)-2-[(2-oxidobenzylidene)amino]phenolato}bis(1,10-phenanthroline)tetracobalt(II) |
|---|---|
| Formula | C80 H60 Co4 N8 O8 |
| Calculated formula | C80 H60 Co4 N8 O8 |
| SMILES | c12ccccc2C=[N]2[Co]34([n]5cccc6ccc7ccc[n]3c7c56)(O1)[O]1c3c(cccc3)C=[N]3[Co]51([O]4c1c(cccc1)C2)[O](c1c(cccc1)C3)[Co]123[N](=Cc4c([O]2[Co]267([N](=Cc8c(cccc8)O6)Cc6c([O]17)cccc6)[n]1cccc6ccc7ccc[n]2c7c16)cccc4)Cc1c([O]53)cccc1 |
| Title of publication | Crystal structure and magnetic properties of a linear tetranuclear Co^II^ cluster |
| Authors of publication | Wang, Yingying; Wen, Meixia; Gao, Zhongjun; Sheng, Ning |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 9 |
| a | 11.6762 ± 0.0012 Å |
| b | 18.3463 ± 0.0019 Å |
| c | 16.07 ± 0.0016 Å |
| α | 90° |
| β | 100.105 ± 0.002° |
| γ | 90° |
| Cell volume | 3389 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0824 |
| Residual factor for significantly intense reflections | 0.0397 |
| Weighted residual factors for significantly intense reflections | 0.0816 |
| Weighted residual factors for all reflections included in the refinement | 0.0958 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.998 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186038 (current) | 2016-08-27 | cif/ hkl/ Adding structures of 2020582 via cif-deposit CGI script. |
2020582.cif 2020582.hkl |
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Users of the data should acknowledge the original authors of the
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