Information card for entry 4117153

Structure parameters

• Formula: C13 H35 Al Cl N3 Si3
• Calculated formula: C13 H35 Al Cl N3 Si3
• SMILES: [Al]12(Cl)N([Si](C)(C)C)CC[N]1([Si](C)(C)C)CCN2[Si](C)(C)C
• Title of publication: Synthesis and Structure of the First Chiral Tetracoordinated Aluminum Cation
• Authors of publication: Norbert Emig; Régis Réau; Harald Krautscheid; Dieter Fenske; Guy Bertrand
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 5822 - 5823
• a: 16.349 ± 0.004 Å
• b: 10.226 ± 0.002 Å
• c: 13.352 ± 0.004 Å
• α: 90°
• β: 92.07 ± 0.02°
• γ: 90°
• Cell volume: 2230.8 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.036
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for all reflections: 0.083
• Weighted residual factors for significantly intense reflections: 0.0788
• Goodness-of-fit parameter for all reflections: 1.033
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No