Information card for entry 4330072

Structure parameters

• Formula: C50 H78 Al N4 Na O6
• Calculated formula: C50 H78 Al N4 Na O6
• SMILES: [Al]12(N(C(=C3N1C=CC=C3)C)c1c(cccc1C(C)C)C(C)C)N(C(=C1N2C=CC=C1)C)c1c(cccc1C(C)C)C(C)C.[Na]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• 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: 16.78 ± 0.004 Å
• b: 16.551 ± 0.004 Å
• c: 22.569 ± 0.004 Å
• α: 90°
• β: 126.148 ± 0.011°
• γ: 90°
• Cell volume: 5061 ± 2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.209
• Residual factor for significantly intense reflections: 0.1204
• Weighted residual factors for significantly intense reflections: 0.3042
• Weighted residual factors for all reflections included in the refinement: 0.3598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No