Information card for entry 4114666

Structure parameters

• Common name: 01077
• Chemical name: [Ph(H2LiPr)Cu(MeCN)]
• Formula: C35 H44 Cu N3
• Calculated formula: C35 H38 Cu N3
• Title of publication: β-Diketiminate Ligand Backbone Structural Effects on Cu(I)/O2 Reactivity: Unique Copper-Superoxo and Bis(μ-oxo) Complexes
• Authors of publication: Douglas J. E. Spencer; Nermeen W. Aboelella; Anne M. Reynolds; Patrick L. Holland; William B. Tolman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 2108 - 2109
• a: 9.927 ± 0.003 Å
• b: 20.216 ± 0.005 Å
• c: 16.489 ± 0.005 Å
• α: 90°
• β: 96.031 ± 0.004°
• γ: 90°
• Cell volume: 3290.8 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No