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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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