Information card for entry 2105792

Structure parameters

• Common name: K9 S8 O33 H9
• Formula: H9 K9 O33 S8
• Calculated formula: H9.0001 K9 O33 S8
• SMILES: [K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].[K+].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)(O)[O-].S(=O)(=O)([O-])[O-].S(=O)(=O)([O-])[O-].[OH3+]
• Title of publication: <i>M~m~</i>H~<i>n~</i>(<i>X</i>O~4~)~(<i>m~+{ıt n</i>)/2} crystals: structure, phase transitions, hydrogen bonds, conductivity. I. K~9~H~7~(SO~4~)~8~·H~2~O crystals ‒ a new representative of the family of solid acid conductors
• Authors of publication: Makarova, Irina; Grebenev, Vadim; Dmitricheva, Elena; Dolbinina, Valentina; Chernyshov, Dmitry
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 2
• Pages of publication: 218 - 226
• a: 7.0685 ± 0.0004 Å
• b: 19.792 ± 0.0005 Å
• c: 23.4724 ± 0.0006 Å
• α: 90°
• β: 95.372 ± 0.004°
• γ: 90°
• Cell volume: 3269.4 ± 0.2 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0463
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 2.99
• Diffraction radiation wavelength: 0.696 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes