Information card for entry 4107770

Structure parameters

• Chemical name: Tetrais(di-tert-butylmethylsilyl)disilene cation radical tetrakis(pentfluorophenyl)borate
• Formula: C72 H96 B F20 Si6
• Calculated formula: C72 H96 B F20 Si6
• Title of publication: The Isolable Cation Radical of Disilene: Synthesis, Characterization, and a Reversible One-Electron Redox System
• Authors of publication: Shigeyoshi Inoue; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 6078 - 6079
• a: 21.009 ± 0.0017 Å
• b: 21.009 Å
• c: 36.131 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15947.4 ± 1.4 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.107
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No