Information card for entry 4115126

Structure parameters

• Common name: 02073
• Chemical name: (tbu)2LiPrCu(O2)
• Formula: C47 H77 Cu N2 O5
• Calculated formula: C35 H55 Cu N2 O2
• Title of publication: Snapshots of Dioxygen Activation by Copper: The Structure of a 1:1 Cu/O2 Adduct and Its Use in Syntheses of Asymmetric Bis(μ-oxo) Complexes
• Authors of publication: Nermeen W. Aboelella; Elizabeth A. Lewis; Anne M. Reynolds; William W. Brennessel; Christopher J. Cramer; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 10660 - 10661
• a: 15.464 ± 0.004 Å
• b: 17.324 ± 0.004 Å
• c: 8.763 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2347.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 44
• Hermann-Mauguin space group symbol: I m m 2
• Hall space group symbol: I 2 -2
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.1853
• Weighted residual factors for all reflections included in the refinement: 0.1988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No