Information card for entry 4118927

Structure parameters

• Formula: C52 H831 Mo132 N9.5 Na17.5 O694 S60
• Calculated formula: C31.5 H48.75 Mo132 O444 S60
• Title of publication: Cubic Box versus Spheroidal Capsule Built from Defect and Intact Pentagonal Units
• Authors of publication: Fatma Bannani; Sébastien Floquet; Nathalie Leclerc-Laronze; Mohamed Haouas; Francis Taulelle; Jérôme Marrot; Paul Kögerler; Emmanuel Cadot
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 19342 - 19345
• a: 64.949 ± 0.004 Å
• b: 64.949 ± 0.004 Å
• c: 77.695 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 283837 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.2105
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2005
• Weighted residual factors for all reflections included in the refinement: 0.237
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No