Information card for entry 8000028

Structure parameters

• Formula: C42 H41 B Cl3 F20 N2 Si3
• Calculated formula: C42 H41 B Cl3 F20 N2 Si3
• Title of publication: The First Isolation of 1,3-Diaza-2-sila-4-cyclopentene Radical Cation Salt: The X-ray Structure and Electronic Properties
• Authors of publication: Shintaro Ishida; Tohru Nishinaga; Koichi Komatsu
• Journal of publication: Chemistry Letters
• Year of publication: 2005
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 486
• a: 16.939 ± 0.003 Å
• b: 17.258 ± 0.003 Å
• c: 17.564 ± 0.0018 Å
• α: 90°
• β: 102.831 ± 0.007°
• γ: 90°
• Cell volume: 5006.3 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1132
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No