Information card for entry 4330077

Structure parameters

• Formula: C36 H44 Al N7
• Calculated formula: C36 H44 Al N7
• SMILES: [Al]12([N](=Cc3[n]1cccc3)c1c(cccc1C(C)C)C(C)C)([N](=Cc1[n]2cccc1)c1c(cccc1C(C)C)C(C)C)N=N#N
• 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: 17.534 ± 0.008 Å
• b: 10.048 ± 0.005 Å
• c: 21.297 ± 0.009 Å
• α: 90°
• β: 114.82 ± 0.03°
• γ: 90°
• Cell volume: 3406 ± 3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 4
• 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: 0.1353
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No