Information card for entry 2101502

Structure parameters

• Formula: C4 H15.6 K0.1 N0.9 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: Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions
• Authors of publication: Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 296 - 302
• a: 12.165 ± 0.009 Å
• b: 14.42 ± 0.007 Å
• c: 6.239 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1094 ± 1 ų
• Cell temperature: 294 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: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0272
• Goodness-of-fit parameter for significantly intense reflections: 0.8604
• Diffraction radiation wavelength: 0.70926 Å
• Diffraction radiation type: MoKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No