Information card for entry 7012954

Structure parameters

• Formula: C64 H120 O28 Si8
• Calculated formula: C64 H120 O28 Si8
• Title of publication: A higher yielding route for T8 silsesquioxane cages and X-ray crystal structures of some novel spherosilicates
• Authors of publication: Bassindale, Alan R.; Liu, Zhihua; MacKinnon, Iain A.; Taylor, Peter G.; Yang, Yuxing; Light, Mark E.; Horton, Peter N.; Hursthouse, Michael B.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 14
• Pages of publication: 2945
• a: 14.3683 ± 0.0003 Å
• b: 18.0913 ± 0.0004 Å
• c: 18.3397 ± 0.0004 Å
• α: 106.259 ± 0.001°
• β: 109.92 ± 0.001°
• γ: 101.908 ± 0.001°
• Cell volume: 4055.2 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No