Information card for entry 1544654

Structure parameters

• Chemical name: 1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane
• Formula: C60 H50 Cl2 Si5
• Calculated formula: C60 H50 Cl2 Si5
• SMILES: Cl[Si]([Si]([Si]([Si]([Si](Cl)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: 1,5-Dichloro-1,1,2,2,3,3,4,4,5,5-decaphenylpentasilane
• Authors of publication: Neumeyer, Felix; Kotil, Leyla; Auner, Norbert; Bolte, Michael
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 11
• Pages of publication: x161812
• a: 11.6675 ± 0.0006 Å
• b: 33.682 ± 0.002 Å
• c: 13.3653 ± 0.0007 Å
• α: 90°
• β: 94.184 ± 0.004°
• γ: 90°
• Cell volume: 5238.4 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0703
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes