Information card for entry 4127046

Structure parameters

• Formula: C54 H68 Si6
• Calculated formula: C54 H68 Si6
• SMILES: [SiH]1([Si]2([Si]3([Si]1([Si]2([SiH]3c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)c1c(C)cc(cc1C)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: 12.508 ± 0.004 Å
• b: 13.417 ± 0.004 Å
• c: 16.765 ± 0.004 Å
• α: 93.629 ± 0.004°
• β: 91.851 ± 0.004°
• γ: 116.42 ± 0.007°
• Cell volume: 2508.8 ± 1.3 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: 0.1498
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.1682
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No