Information card for entry 1546676

Structure parameters

• Common name: Dodecaallylhexasilacyclohexane
• Chemical name: 1,1,2,2,3,3,4,4,5,5,6,6-Dodecaallylhexasilinane
• Formula: C36 H60 Si6
• Calculated formula: C36 H60 Si6
• SMILES: [Si]1([Si]([Si]([Si]([Si]([Si]1(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C)(CC=C)CC=C
• Title of publication: Dodecaallylhexasilacyclohexane
• Authors of publication: Mizuhata, Yoshiyuki; Omatsu, Yamato; Tokitoh, Norihiro
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: x170807
• a: 9.6036 ± 0.0002 Å
• b: 10.806 ± 0.0003 Å
• c: 11.4686 ± 0.0003 Å
• α: 108.617 ± 0.002°
• β: 100.558 ± 0.002°
• γ: 109.477 ± 0.0012°
• Cell volume: 1005.91 ± 0.05 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0347
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes