Information card for entry 4066118

Structure parameters

• Common name: 2,6-dimesitylphenyldichloro(trimethylsilylethinyl)silane
• Formula: C29 H34 Cl2 Si2
• Calculated formula: C29 H34 Cl2 Si2
• SMILES: [Si](Cl)(Cl)(c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C#C[Si](C)(C)C
• Title of publication: Formation of a Silylated 1-Silaallene via an Intermediate 1-Chloro-1-silaallene
• Authors of publication: Spirk, Stefan; Belaj, Ferdinand; Albering, Jörg H.; Pietschnig, Rudolf
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 13
• Pages of publication: 2981
• a: 8.9277 ± 0.0007 Å
• b: 17.0219 ± 0.0014 Å
• c: 36.188 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5499.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No