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Information card for entry 2008130
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| Coordinates | 2008130.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C7 H14 Cu O12 |
|---|---|
| Calculated formula | C7 H14 Cu O12 |
| SMILES | [Cu]([OH2])([OH2])([OH2])([OH2])([OH2]).O=c1cc(oc(c1)C(=O)[O-])C(=O)[O-].O |
| Title of publication | Pentaaqua(chelidonato-<i>O</i>^4^)copper(II) monohydrate |
| Authors of publication | Manojlović-Muir, Ljubica; Muir, Kenneth W.; Campbell, Robert A.; McKendrick, John E.; Robins, David J. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 2 |
| Pages of publication | 178 - 180 |
| a | 7.3402 ± 0.0013 Å |
| b | 8.7066 ± 0.0013 Å |
| c | 11.179 ± 0.002 Å |
| α | 70.591 ± 0.016° |
| β | 81.513 ± 0.018° |
| γ | 71.158 ± 0.017° |
| Cell volume | 637.1 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for all reflections included in the refinement | 0.088 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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