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Information card for entry 2006544
Preview
| Coordinates | 2006544.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Cu4 H6 O10 S |
|---|---|
| Calculated formula | Cu4 H6 O10 S |
| SMILES | [Cu+2].[Cu+2].[Cu+2].[Cu+2].S(=O)(=O)([O-])[O-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-] |
| Title of publication | Brochantite |
| Authors of publication | Helliwell, Madeleine; Smith, Joseph V. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 1369 - 1371 |
| a | 13.087 ± 0.001 Å |
| b | 9.835 ± 0.001 Å |
| c | 6.015 ± 0.002 Å |
| α | 90° |
| β | 103.33 ± 0.01° |
| γ | 90° |
| Cell volume | 753.3 ± 0.3 Å3 |
| Cell temperature | 296.2 K |
| Ambient diffraction temperature | 296.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/a 1 |
| Hall space group symbol | -P 2yab |
| Residual factor for all reflections | 0.1053 |
| Residual factor for significantly intense reflections | 0.0416 |
| Weighted residual factors for all reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.0394 |
| Goodness-of-fit parameter for all reflections | 1.467 |
| Goodness-of-fit parameter for significantly intense reflections | 1.619 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.