Information card for entry 4114665

Structure parameters

• Common name: 00079
• Chemical name: L(iPr)Cu(NCMe)
• Formula: C31 H44 Cu N3
• Calculated formula: C31 H44 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: 31.3411 ± 0.0013 Å
• b: 18.1396 ± 0.0007 Å
• c: 22.9236 ± 0.0009 Å
• α: 90°
• β: 126.494 ± 0.001°
• γ: 90°
• Cell volume: 10477 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No