Information card for entry 4113066

Structure parameters

• Common name: Cuboctahedron
• Formula: C66 H100 O40 Pr3.75 S6
• Calculated formula: C48 H26.6667 O34.3911 Pr2.22222 S6.22222
• Title of publication: Toward Mimicking Viral Geometry with Metal-Organic Systems
• Authors of publication: Jerry L. Atwood; Leonard J. Barbour; Scott J. Dalgarno; Michaele J. Hardie; Colin L. Raston; Helen R. Webb
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 13170 - 13171
• a: 30.052 ± 0.004 Å
• b: 30.052 ± 0.004 Å
• c: 42.551 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 38429 ± 11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 126
• Hermann-Mauguin space group symbol: P 4/n n c :2
• Hall space group symbol: -P 4a 2bc
• Residual factor for all reflections: 0.3276
• Residual factor for significantly intense reflections: 0.291
• Weighted residual factors for significantly intense reflections: 0.6052
• Weighted residual factors for all reflections included in the refinement: 0.6174
• Goodness-of-fit parameter for all reflections included in the refinement: 4.674
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No