Information card for entry 4102468

Structure parameters

• Formula: C38 H54 Cl4 N4 O Si
• Calculated formula: C38 H54 Cl4 N4 O Si
• SMILES: ClCCl.[Si]1(=O)(N(C(=C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[n]1ccc(N(C)C)cc1.ClCCl
• 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: 9.2101 ± 0.0003 Å
• b: 12.0914 ± 0.0004 Å
• c: 18.2291 ± 0.0007 Å
• α: 95.548 ± 0.003°
• β: 104.5 ± 0.003°
• γ: 94.189 ± 0.003°
• Cell volume: 1946.19 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No