Information card for entry 7025428

Structure parameters

• Formula: C74 H92 O18 Si8
• Calculated formula: C56 H56 O12 Si8
• Title of publication: The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8.
• Authors of publication: Zakharov, Alexander V.; Masters, Sarah L.; Wann, Derek A.; Shlykov, Sergei A.; Girichev, Georgiy V.; Arrowsmith, Sophie; Cordes, David B.; Lickiss, Paul D.; White, Andrew J. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 30
• Pages of publication: 6960 - 6966
• a: 19.4815 ± 0.0003 Å
• b: 19.4815 ± 0.0003 Å
• c: 20.9445 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7949 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1699
• Weighted residual factors for all reflections included in the refinement: 0.1813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No