Information card for entry 4089033

Structure parameters

• Formula: C21 H39 Al N2 O
• Calculated formula: C21 H39 Al N2 O
• SMILES: [Al]1(N([N]21CCCCC2)C1C2CC3CC1CC(C2)C3)(C)(C)[O]1CCCC1
• Title of publication: Aluminum and Gallium Hydrazides as Active Lewis Pairs: Cooperative C‒H Bond Activation with H‒C≡C‒Ph and Pentafluorobenzene
• Authors of publication: Uhl, Werner; Willeke, Matthias; Hengesbach, Frank; Hepp, Alexander; Layh, Marcus
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3701
• a: 6.4956 ± 0.0003 Å
• b: 24.8278 ± 0.0012 Å
• c: 12.755 ± 0.0006 Å
• α: 90°
• β: 94.5768 ± 0.0016°
• γ: 90°
• Cell volume: 2050.46 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No