Information card for entry 4328141

Structure parameters

• Formula: C32 H44 Al Cl N2 O
• Calculated formula: C32 H44 Al Cl N2 O
• SMILES: Cl[Al]1([O](CC)CC)N(C(=C2N1C(=CC=C2)c1c(cc(cc1C)C)C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: A Sterically Demanding Iminopyridine Ligand Affords Redox-Active Complexes of Aluminum(III) and Gallium(III)
• Authors of publication: Thomas W. Myers; Louise A. Berben
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1480 - 1488
• a: 13.418 ± 0.003 Å
• b: 15.976 ± 0.003 Å
• c: 16.537 ± 0.006 Å
• α: 90°
• β: 121.93 ± 0.02°
• γ: 90°
• Cell volume: 3008.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0445
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No