Information card for entry 7012952

Structure parameters

• Formula: C40 H72 O12 Si8
• Calculated formula: C40 H72 O12 Si8
• SMILES: C1(CCCC1)[Si]12O[Si]3(C4CCCC4)O[Si]4(O[Si](O1)(C1CCCC1)O[Si]1(C5CCCC5)O[Si](C5CCCC5)(O[Si](O[Si](O1)(O2)C1CCCC1)(O3)C1CCCC1)O4)C1CCCC1
• 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: 9.9936 ± 0.0006 Å
• b: 10.1401 ± 0.0008 Å
• c: 12.1205 ± 0.0008 Å
• α: 98.333 ± 0.006°
• β: 92.328 ± 0.005°
• γ: 95.545 ± 0.002°
• Cell volume: 1207.73 ± 0.15 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: 0.1009
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No