Information card for entry 2105712

Structure parameters

• Common name: deca-dodecasil
• Formula: O120 Si60
• Calculated formula: O120 Si60
• Title of publication: Second-degree twinning and dynamic disorder in the crystal structure of deca-dodecasil 3R
• Authors of publication: Langer, Vratislav; Smrčok, Ľubomír; Tunega, Daniel; Wirnsberger, Gernot
• Journal of publication: Acta Crystallographica Section B Structural Science
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: 627 - 634
• a: 13.7761 ± 0.0001 Å
• b: 13.7761 ± 0.0001 Å
• c: 41.5456 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6828.23 ± 0.12 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 2
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 0.952
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2100335
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No