Information card for entry 4509766

Structure parameters

• Formula: C32 H46.41 N12 O17.21 S4
• Calculated formula: C32 H46.416 N12 O17.208 S4
• Title of publication: Molecular Capsules in Modular Frameworks
• Authors of publication: Liu, Yuzhou; Ward, Michael D.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 3859
• a: 12.3167 ± 0.0005 Å
• b: 13.0801 ± 0.0005 Å
• c: 14.3631 ± 0.0006 Å
• α: 90.699 ± 0.002°
• β: 92.572 ± 0.002°
• γ: 93.545 ± 0.002°
• Cell volume: 2306.93 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No