Information card for entry 4330078

Structure parameters

• Formula: C45 H56 Al N4 S
• Calculated formula: C45 H56 Al N4 S
• Title of publication: Redox Routes to Substitution of Aluminum(III): Synthesis and Characterization of (IP-)2AlX (IP = α-iminopyridine, X = Cl, Me, SMe, S2CNMe2, C\τbCPh, N3, SPh, NHPh)
• Authors of publication: Thomas W. Myers; Alexandra L. Holmes; Louise A. Berben
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8997 - 9004
• a: 12.4915 ± 0.0004 Å
• b: 24.3838 ± 0.001 Å
• c: 13.6959 ± 0.0005 Å
• α: 90°
• β: 98.91 ± 0.003°
• γ: 90°
• Cell volume: 4121.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• 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: 0.2148
• Residual factor for significantly intense reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.311
• Weighted residual factors for all reflections included in the refinement: 0.3924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No