Information card for entry 4127048

Structure parameters

• Formula: C68 H82 Si6
• Calculated formula: C68 H82 Si6
• SMILES: [Si]12([Si]3([Si]4([Si]([Si]14c1c(C)cc(cc1C)C)([Si]23c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)C.c1ccc(cc1)C.c1ccc(C)cc1
• 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: 14.367 ± 0.003 Å
• b: 15.608 ± 0.003 Å
• c: 16.258 ± 0.003 Å
• α: 108.449 ± 0.003°
• β: 100.857 ± 0.002°
• γ: 109.399 ± 0.004°
• Cell volume: 3081.5 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.1829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No