Information card for entry 4117443

Structure parameters

• Formula: C37 H50 Al Mn N2 O2
• Calculated formula: C37 H50 Al Mn N2 O2
• SMILES: [Mn]1234([H][AlH]5N(c6c(C(C)C)cccc6C(C)C)C(=CC(=[N]5c5c(C(C)C)cccc5C(C)C)C)C)(C#[O])([cH]5[cH]1[cH]2[c]3([cH]45)C)C#[O]
• Title of publication: σ-Alane Complexes of Chromium, Tungsten, and Manganese
• Authors of publication: Ian M. Riddlestone; Siân Edmonds; Paul A. Kaufman; Juan Urbano Baena; Joshua I. Bates; Michael J. Kelly; Amber L. Thompson; Russell Taylor; Simon Aldridge
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 2551 - 2554
• a: 10.1264 ± 0.0001 Å
• b: 20.4974 ± 0.0003 Å
• c: 16.7518 ± 0.0002 Å
• α: 90°
• β: 103.604 ± 0.0006°
• γ: 90°
• Cell volume: 3379.53 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0821
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9834
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No