Information card for entry 2003855

Structure parameters

• Common name: octachlorosilasesquioxane
• Formula: Cl8 O12 Si8
• Calculated formula: Cl8 O12 Si8
• SMILES: Cl[Si]12O[Si]3(Cl)O[Si]4(Cl)O[Si]5(Cl)O[Si](Cl)(O[Si](Cl)(O2)O4)O[Si](Cl)(O1)O[Si](Cl)(O5)O3
• Title of publication: Octachlorosilasesquioxane, Cl~8~Si~8~O~12~
• Authors of publication: Törnroos, K. W.; Calzaferri, G.; Imhof, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 9
• Pages of publication: 1732 - 1735
• a: 12.353 ± 0.002 Å
• b: 12.353 ± 0.002 Å
• c: 12.931 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1708.9 ± 0.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2354
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1246
• Weighted residual factors for significantly intense reflections: 0.07
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.184
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No