Information card for entry 4500916

Structure parameters

• Common name: 2
• Formula: C24 H32 K N10 O6 S0.5
• Calculated formula: C24 H32 K N10 O6 S0.5
• Title of publication: Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules
• Authors of publication: Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 2702
• a: 11.9118 ± 0.0007 Å
• b: 18.5604 ± 0.0011 Å
• c: 12.836 ± 0.0007 Å
• α: 90°
• β: 91.64 ± 0.001°
• γ: 90°
• Cell volume: 2836.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No