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Information card for entry 2206762
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| Coordinates | 2206762.cif |
|---|---|
| Structure factors | 2206762.hkl |
| Original IUCr paper | HTML |
| Chemical name | diaquabis(vanillinato-κ^2^O,O')cobalt(II) |
|---|---|
| Formula | C16 H18 Co O8 |
| Calculated formula | C16 H18 Co O8 |
| SMILES | c1(cc2c(cc1)O[Co]1([OH2])([O]2C)([OH2])[O](c2cc(ccc2O1)C=O)C)C=O |
| Title of publication | Redetermination of diaquabis(vanillinato-κ^2^<i>O</i>,<i>O</i>')cobalt(II) |
| Authors of publication | Dong-Dong Lin; Duan-Jun Xu |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 9 |
| Pages of publication | m1821 - m1822 |
| a | 22.27 ± 0.002 Å |
| b | 10.4487 ± 0.0012 Å |
| c | 7.7771 ± 0.0009 Å |
| α | 90° |
| β | 107.249 ± 0.012° |
| γ | 90° |
| Cell volume | 1728.3 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.036 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.084 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
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