Information card for entry 4117444

Structure parameters

• Formula: C36 H50 Al N3 O5 W
• Calculated formula: C36 H50 Al N3 O5 W
• SMILES: [W]([H][AlH]1[N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)(C#[O])(C#[O])(C#[O])(C#[O])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: 10.64322 ± 0.0001 Å
• b: 19.59951 ± 0.00019 Å
• c: 18.60077 ± 0.00018 Å
• α: 90°
• β: 98.4228 ± 0.0009°
• γ: 90°
• Cell volume: 3838.31 ± 0.06 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: 0.0286
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4791
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No