Information card for entry 4131483

Structure parameters

• Common name: [LCu(OOtBu)][NEt4]
• Formula: C21.5 H33 Cu0.5 N2 O2.5
• Calculated formula: C21.5 H33 Cu0.5 N2 O2.5
• Title of publication: Formally Copper(III)-Alkylperoxo Complexes as Models of Possible Intermediates in Monooxygenase Enzymes.
• Authors of publication: Neisen, Benjamin D.; Gagnon, Nicole L.; Dhar, Debanjan; Spaeth, Andrew D.; Tolman, William B.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 30
• Pages of publication: 10220 - 10223
• a: 10.9539 ± 0.0002 Å
• b: 13.0791 ± 0.0002 Å
• c: 15.0451 ± 0.0003 Å
• α: 90°
• β: 92.883 ± 0.001°
• γ: 90°
• Cell volume: 2152.74 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0697
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1526
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No