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Information card for entry 2101884
Preview
| Coordinates | 2101884.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Tetralis(μ-benzoylformato-O,O')-bis(4-picoline)dicopper(II) |
|---|---|
| Formula | C44 H34 Cu2 N2 O12 |
| Calculated formula | C44 H34 Cu2 N2 O12 |
| SMILES | [n]1(ccc(C)cc1)[Cu]1234[O]=C(O[Cu]4([n]4ccc(C)cc4)([O]=C(C(=O)c4ccccc4)O2)(OC(C(=O)c2ccccc2)=[O]1)[O]=C(O3)C(=O)c1ccccc1)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 | 19.083 ± 0.005 Å |
| b | 12.156 ± 0.004 Å |
| c | 21.692 ± 0.003 Å |
| α | 90° |
| β | 124.26 ± 0.02° |
| γ | 90° |
| Cell volume | 4159 ± 2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 299 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0695 |
| Weighted residual factors for significantly intense reflections | 0.0528 |
| Goodness-of-fit parameter for significantly intense reflections | 1.6 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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