Information card for entry 4078990

Structure parameters

• Formula: C40 H68 F N9 O12 Si8
• Calculated formula: C40 H68 F N9 O12 Si8
• SMILES: [F-].O1[Si]2(O[Si]3(O[Si]4(O[Si]5(O[Si](O3)(O[Si](O2)(O[Si](O[Si]1(O4)CCC#N)(O5)CCC#N)CCC#N)CCC#N)CCC#N)CCC#N)CCC#N)CCC#N.C(CCC)[N+](CCCC)(CCCC)CCCC
• Title of publication: Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures Containing an Encapsulated Fluoride Anion
• Authors of publication: El Aziz, Youssef; Bassindale, Alan R.; Taylor, Peter G.; Horton, Peter N.; Stephenson, Richard A.; Hursthouse, Michael B.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 17
• Pages of publication: 6032
• a: 26.4378 ± 0.0011 Å
• b: 8.7798 ± 0.0004 Å
• c: 26.8273 ± 0.001 Å
• α: 90°
• β: 93.831 ± 0.002°
• γ: 90°
• Cell volume: 6213.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0673
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No