Information card for entry 4500915

Structure parameters

• Common name: 1
• Formula: C24 H34 N10 Na O7 S0.5
• Calculated formula: C24 H34 N10 Na O7 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: 12.1207 ± 0.0006 Å
• b: 18.8019 ± 0.0009 Å
• c: 13.2832 ± 0.0007 Å
• α: 90°
• β: 91.632 ± 0.001°
• γ: 90°
• Cell volume: 3025.9 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No