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Information card for entry 2214545
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| Coordinates | 2214545.cif |
|---|---|
| Structure factors | 2214545.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexaaquazinc(II) D-camphor-10-sulfonate |
|---|---|
| Formula | C20 H42 O14 S2 Zn |
| Calculated formula | C20 H42 O14 S2 Zn |
| SMILES | [Zn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C.S(=O)(=O)([O-])C[C@@]12C(=O)C[C@@H](CC1)C2(C)C |
| Title of publication | Hexaaquazinc(II) <small>D</small>-camphor-10-sulfonate |
| Authors of publication | Schepke, Manuela; Edelmann, Frank T.; Blaurock, Steffen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2007 |
| Journal volume | 63 |
| Journal issue | 8 |
| Pages of publication | m2071 - m2071 |
| a | 11.7293 ± 0.0014 Å |
| b | 7.0854 ± 0.0008 Å |
| c | 17.169 ± 0.002 Å |
| α | 90° |
| β | 93.841 ± 0.01° |
| γ | 90° |
| Cell volume | 1423.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0834 |
| Weighted residual factors for all reflections included in the refinement | 0.0871 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| 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
structural data.