Information card for entry 4127049

Structure parameters

• Formula: C27 H34 Cl4 Si3
• Calculated formula: C27 H34 Cl4 Si3
• SMILES: [Si]([SiH]([Si](Cl)(Cl)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)(Cl)c1c(cc(cc1C)C)C
• Title of publication: Isolation of R6Si6 Dianion, a Bridged Tricyclic Isomer of Dianionic Hexasilabenzene.
• Authors of publication: Li, Yang; Li, Jianfeng; Zhang, Jianying; Song, Haibin; Cui, Chunming
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• a: 9.7979 ± 0.001 Å
• b: 29.913 ± 0.003 Å
• c: 30.341 ± 0.003 Å
• α: 90°
• β: 90.886 ± 0.001°
• γ: 90°
• Cell volume: 8891.4 ± 1.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No