Information card for entry 4117744

Structure parameters

• Chemical name: 1,1,1,3,3,3-hexa-tert-butyltrisilane-2,2-diyl 1',3',4',5'-tetramethyl-2',3'-dihydro-1'H-imidazole-2',2'-diyl complex
• Formula: C35 H74 N2 O Si3
• Calculated formula: C35 H74 N2 O Si3
• SMILES: [Si]([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)=C1N(C(=C(N1C)C)C)C.O1CCCC1
• Title of publication: An Isolable NHC-Stabilized Silylene Radical Cation: Synthesis and Structural Characterization
• Authors of publication: Hiroaki Tanaka; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 5540 - 5543
• a: 15.7355 ± 0.0007 Å
• b: 16.2056 ± 0.0008 Å
• c: 30.5406 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7788 ± 0.6 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No