Information card for entry 4117442

Structure parameters

• Formula: C21 H27 Al Cl Mn N2 O2
• Calculated formula: C21 H27 Al Cl Mn N2 O2
• SMILES: [Mn]123456([Al]7(Cl)([N](=C(N7C(C)C)c7ccccc7)C(C)C)(C5=O)[H]6)([cH]5[cH]4[c]3([cH]2[cH]15)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: 9.9819 ± 0.0002 Å
• b: 10.0605 ± 0.0002 Å
• c: 12.3107 ± 0.0003 Å
• α: 83.6209 ± 0.0008°
• β: 69.1742 ± 0.0008°
• γ: 76.6715 ± 0.001°
• Cell volume: 1123.8 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.0571
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9218
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No