Information card for entry 4115193

Structure parameters

• Formula: C46 H69 Al2 Cl2 Cr N3
• Calculated formula: C46 H69 Al2 Cl2 Cr N3
• Title of publication: Participation of the α,α'-Diiminopyridine Ligand System in Reduction of the Metal Center during Alkylation
• Authors of publication: Hiroyasu Sugiyama; Ghazar Aharonian; Sandro Gambarotta; Glenn P. A. Yap; Peter H. M. Budzelaar
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 12268 - 12274
• a: 17.9682 ± 0.0016 Å
• b: 14.7152 ± 0.0013 Å
• c: 19.7117 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5211.9 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1153
• Residual factor for significantly intense reflections: 0.0868
• Weighted residual factors for significantly intense reflections: 0.2663
• Weighted residual factors for all reflections included in the refinement: 0.3065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No