Information card for entry 7107897

Structure parameters

• Formula: C160.5 H257 Cu31 N64 O35 S
• Calculated formula: C160.5 H129 Cu31 N64 O35 S
• Title of publication: Selective total encapsulation of the sulfate anion by neutral nano-jars
• Authors of publication: Isurika R. Fernando; Stuart A. Surmann; Alexander A. Urech; Alexander M. Poulsen; Gellert Mezei
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 6860
• a: 20.4153 ± 0.0009 Å
• b: 22.91 ± 0.0011 Å
• c: 25.8662 ± 0.0012 Å
• α: 103.685 ± 0.003°
• β: 94.975 ± 0.003°
• γ: 110.593 ± 0.003°
• Cell volume: 10809.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1667
• Residual factor for significantly intense reflections: 0.1332
• Weighted residual factors for significantly intense reflections: 0.4066
• Weighted residual factors for all reflections included in the refinement: 0.415
• Goodness-of-fit parameter for all reflections included in the refinement: 2.852
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No