Information card for entry 4119961

Structure parameters

• Common name: {Cl2NN]Cu}2(NC6H11)
• Formula: C42.5 H43 Cl8 Cu2 N5
• Calculated formula: C42.5 H43 Cl8 Cu2 N5
• Title of publication: Mechanistic Insights into C-H Amination via Dicopper Nitrenes
• Authors of publication: Mae Joanne B. Aguila; Yosra M. Badiei; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9399 - 9406
• a: 22.29 ± 0.002 Å
• b: 10.972 ± 0.001 Å
• c: 37.221 ± 0.004 Å
• α: 90°
• β: 94.222 ± 0.001°
• γ: 90°
• Cell volume: 9078.3 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.1148
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1266
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No