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Information card for entry 2101881
Preview
| Coordinates | 2101881.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetrakis(μ-benzoylformato-O,O')-bis(pyridine) dicopper(II) |
|---|---|
| Formula | C42 H30 Cu2 N2 O12 |
| Calculated formula | C42 H30 Cu2 N2 O12 |
| SMILES | [n]1(ccccc1)[Cu]1234[O]=C(C(=O)c5ccccc5)O[Cu]4([n]4ccccc4)([O]=C(C(=O)c4ccccc4)O1)(OC(=[O]3)C(=O)c1ccccc1)[O]=C(O2)C(=O)c1ccccc1 |
| Title of publication | Structures and Magnetic Properties of Dimeric Copper(II) Benzoylformates |
| Authors of publication | Harada, A.; Tsuchimoto, M.; Ohba, S.; Iwasawa, K.; Tokii, T. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 654 - 661 |
| a | 10.014 ± 0.005 Å |
| b | 10.383 ± 0.007 Å |
| c | 18.845 ± 0.007 Å |
| α | 90° |
| β | 92.99 ± 0.04° |
| γ | 90° |
| Cell volume | 1956.7 ± 1.8 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 299 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 significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.0581 |
| Goodness-of-fit parameter for significantly intense reflections | 1.48 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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