Information card for entry 4031930

Structure parameters

• Formula: C24 H56 O12 S8 Si8
• Calculated formula: C12 H28 O6 S4 Si4
• Title of publication: Octa(3-mercaptopropyl)octasilsesquioxane - A reactive nanocube of unique self-assembled packing morphology
• Authors of publication: Anna Kowalewska
• Journal of publication: Journal of Organometallic Chemistry
• Year of publication: 2016
• Journal volume: 810
• Pages of publication: 15 - 24
• a: 9.5967 ± 0.0007 Å
• b: 9.6229 ± 0.0007 Å
• c: 13.7596 ± 0.001 Å
• α: 74.082 ± 0.002°
• β: 78.938 ± 0.002°
• γ: 79.032 ± 0.002°
• Cell volume: 1186.42 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No