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Information card for entry 7228505
Preview
| Coordinates | 7228505.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | H18 O12 S |
|---|---|
| Calculated formula | H18 O12 S |
| SMILES | [OH2][H][OH2].[OH2][H][OH2].O.O.O.O.S(=O)(=O)([O-])[O-] |
| Title of publication | On the highest hydrates of sulfuric acid : formation and structure of H2SO4 . 6.6 H2O and H2SO4 . 8 H2O |
| Authors of publication | Mootz, Dietrich; Merschenz-Quack, Angelika |
| Journal of publication | Zeitschrift fur Naturforschung B |
| Year of publication | 1987 |
| Journal volume | 42 |
| Pages of publication | 1231 - 1236 |
| a | 7.467 ± 0.004 Å |
| b | 7.467 ± 0.004 Å |
| c | 21.445 ± 0.011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1195.7 ± 1.1 Å3 |
| Ambient diffraction temperature | 163 K |
| Number of distinct elements | 3 |
| Space group number | 122 |
| Hermann-Mauguin space group symbol | I -4 2 d |
| Hall space group symbol | I -4 2bw |
| Residual factor for all reflections | 0.025 |
| Residual factor for significantly intense reflections | 0.022 |
| Weighted residual factors for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.031 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197886 (current) | 2017-06-16 | cif/ Adding structures of 7228505 via cif-deposit CGI script. |
7228505.cif |
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Users of the data should acknowledge the original authors of the
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