Information card for entry 7043094

Structure parameters

• Formula: C29 H38 Al F3 N4 O5 S c
• Calculated formula: C30 H38 Al F3 N4 O5 S
• SMILES: [Al]12(OC3=CC=CC=CC3=[N]2CC(C)C)(OC2=CC=CC=CC2=[N]1CC(C)C)[n]1ccc(N(C)C)cc1.S(=O)(=O)([O-])C(F)(F)F
• 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: 10.683 ± 0.002 Å
• b: 13.311 ± 0.003 Å
• c: 14.433 ± 0.003 Å
• α: 70.586 ± 0.004°
• β: 89.366 ± 0.004°
• γ: 74.648 ± 0.004°
• Cell volume: 1859.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1225
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.2
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No