Information card for entry 4118793

Structure parameters

• Common name: [Cl2NNCu]-OCMe2Ph
• Formula: C35 H35 Cl4 Cu N2 O2
• Calculated formula: C35 H35 Cl4 Cu N2 O2
• Title of publication: Reaction of CuIwith Dialkyl Peroxides: CuII-Alkoxides, Alkoxy Radicals, and Catalytic C-H Etherification
• Authors of publication: Raymond T. Gephart; Claire L. McMullin; Nicholas G. Sapiezynski; Eun Sil Jang; Mae Joanne B. Aguila; Thomas R. Cundari; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 17350 - 17353
• a: 15.735 ± 0.002 Å
• b: 8.2314 ± 0.0011 Å
• c: 27.148 ± 0.004 Å
• α: 90°
• β: 104.291 ± 0.002°
• γ: 90°
• Cell volume: 3407.4 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No