Information card for entry 4117445

Structure parameters

• Formula: C33.11 H43 Al Cr N2 O4.11
• Calculated formula: C33.1141 H43 Al Cr N2 O4.1141
• 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: 17.5944 ± 0.0002 Å
• b: 21.1678 ± 0.0003 Å
• c: 9.0757 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3380.11 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9421
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No