Information card for entry 4082791

Structure parameters

• Formula: C37 H53 Al N3
• Calculated formula: C37 H53 Al N3
• SMILES: [Al]12([n]3c(cccc3C(=[N]2c2c(cccc2C(C)C)C(C)C)C)C(=[N]1c1c(cccc1C(C)C)C(C)C)C)(CC)CC
• Title of publication: Sequential Reduction and Alkyl Exchange Reactions of Bis(imino)pyridine Dialkyliron(II) with Trimethylaluminum
• Authors of publication: Cartes, M. Ángeles; Rodr\?íguez-Delgado, Antonio; Palma, Pilar; Álvarez, Eleuterio; Cámpora, Juan
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1834
• a: 10.7021 ± 0.0014 Å
• b: 23.504 ± 0.004 Å
• c: 13.9848 ± 0.0017 Å
• α: 90°
• β: 103.522 ± 0.004°
• γ: 90°
• Cell volume: 3420.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No