Information card for entry 2101646

Structure parameters

• Formula: C4 H13.12 K0.72 N0.28 Na O10
• Calculated formula: C4 H16 N Na O10
• SMILES: [Na+].O=C([C@@H]([C@H](C(=O)[O-])O)O)[O-].O.O.O.[NH4+].O
• Title of publication: Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase
• Authors of publication: Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 976 - 981
• a: 11.899 ± 0.002 Å
• b: 14.273 ± 0.002 Å
• c: 6.211 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1054.8 ± 0.3 ų
• Cell temperature: 213 K
• Number of distinct elements: 6
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0399
• Goodness-of-fit parameter for significantly intense reflections: 1.1155
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No