Information card for entry 7023447

Structure parameters

• Common name: Octakis(3-iodopropyl)octasilsesquioxane
• Chemical name: Octakis(3-iodopropyl)octasilsesquioxane
• Formula: C24 H48 I8 O12 Si8
• Calculated formula: C24 H48 I8 O12 Si8
• SMILES: C(CCI)[Si]12O[Si]3(CCCI)O[Si]4(O[Si](O1)(CCCI)O[Si]1(CCCI)O[Si](CCCI)(O[Si](O[Si](O2)(O1)CCCI)(CCCI)O3)O4)CCCI
• Title of publication: One-pot synthesis of halogen exchanged silsesquioxanes: octakis(3-bromopropyl)octasilsesquioxane and octakis(3-iodopropyl)octasilsesquioxane.
• Authors of publication: Ervithayasuporn, V.; Pornsamutsin, N.; Prangyoo, P.; Sammawutthichai, K.; Jaroentomeechai, T.; Phurat, C.; Teerawatananond, T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13747 - 13753
• a: 8.8808 ± 0.0015 Å
• b: 12.262 ± 0.002 Å
• c: 12.529 ± 0.002 Å
• α: 111.216 ± 0.007°
• β: 95.856 ± 0.007°
• γ: 98.847 ± 0.006°
• Cell volume: 1238.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Cell measurement pressure: 101.325 kPa
• 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: 0.0326
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No