Information card for entry 4131482

Structure parameters

• Common name: [LCu(OOCm)][NEt4]
• Formula: C132 H184 Cu2 N8 O16
• Calculated formula: C132 H184 Cu2 N8 O16
• 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: 12.8398 ± 0.0009 Å
• b: 19.9194 ± 0.0014 Å
• c: 25.2286 ± 0.0017 Å
• α: 84.759 ± 0.003°
• β: 83.894 ± 0.003°
• γ: 77.729 ± 0.003°
• Cell volume: 6253.6 ± 0.8 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1469
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No