Information card for entry 7211666

Structure parameters

• Formula: C11 H26 N1.67 O8 S0.5
• Calculated formula: C11 H16 N1.66667 O8 S0.5
• Title of publication: Diversity of binding of sulfate and nitrate anions with laterally asymmetric aza cryptands
• Authors of publication: Das, Madhab C.; Ghosh, Sujit K.; Bharadwaj, Parimal K.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 413
• a: 21.972 ± 0.005 Å
• b: 21.972 ± 0.005 Å
• c: 21.972 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10607 ± 4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 212
• Hermann-Mauguin space group symbol: P 43 3 2
• Hall space group symbol: P 4acd 2ab 3
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0701
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No