Information card for entry 1549628

Structure parameters

• Common name: Sodium rubidium disaccharinate dihydrate
• Chemical name: Sodium rubidium bis(3-oxo-3<i>H</i>-1,2-benzothiazol-2-ide 1,1-dioxide) tetrahydrate
• Formula: C14 H16 N2 Na O10 Rb S2
• Calculated formula: C14 H16 N2 Na O10 Rb S2
• SMILES: [Rb+].O=S1([O-])=NC(=O)c2ccccc12.S1(=O)([O-])=NC(=O)c2ccccc12.[Na+].O.O.O.O
• Title of publication: Sodium rubidium disaccharinate tetrahydrate
• Authors of publication: Nazarenko, Alexander Y.
• Journal of publication: IUCrData
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 6
• Pages of publication: x180867
• a: 14.2754 ± 0.0009 Å
• b: 6.5831 ± 0.0004 Å
• c: 21.5365 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2023.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes