Information card for entry 7043093

Structure parameters

• Formula: C22 H28 Al Cl N2 O2
• Calculated formula: C22 H28 Al Cl N2 O2
• SMILES: C12=CC=CC=CC1=[N]([Al]1(O2)(Cl)[N](=C2C=CC=CC=C2O1)CC(C)C)CC(C)C
• Title of publication: A Cationic Aluminium Complex: An Efficient Mononuclear Main-Group Catalyst for the Cyanosilylation of Carbonyl Compounds
• Authors of publication: Sharma, Mahendra Kumar; Sinhababu, Soumen; Mukherjee, Goutam; Rajaraman, Gopalan; Selvarajan, Nagendran
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 14.007 ± 0.003 Å
• b: 13.557 ± 0.003 Å
• c: 11.661 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2214.3 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No