Information card for entry 4127047

Structure parameters

• Formula: C94 H148 K2 O16 Si6
• Calculated formula: C94 H146 K2 O16 Si6
• 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: 23.036 ± 0.005 Å
• b: 19.079 ± 0.003 Å
• c: 23.557 ± 0.003 Å
• α: 90°
• β: 108.19 ± 0.006°
• γ: 90°
• Cell volume: 9836 ± 3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 5
• 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: 0.1567
• Residual factor for significantly intense reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.1914
• Weighted residual factors for all reflections included in the refinement: 0.243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No