Information card for entry 4102467

Structure parameters

• Formula: C36 H50 N4 Si
• Calculated formula: C36 H50 N4 Si
• SMILES: [Si]1(N(C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)=C)c1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1
• Title of publication: Activation of Ammonia by a Si=O Double Bond and Formation of a Unique Pair of Sila-Hemiaminal and Silanoic Amide Tautomers
• Authors of publication: Yun Xiong; Shenglai Yao; Robert Müller; Martin Kaupp; Matthias Driess
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6912 - 6913
• a: 17.3691 ± 0.0003 Å
• b: 13.0764 ± 0.0002 Å
• c: 15.8971 ± 0.0003 Å
• α: 90°
• β: 111.277 ± 0.002°
• γ: 90°
• Cell volume: 3364.52 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0578
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No