Information card for entry 4111142

Structure parameters

• Common name: {[Me3NN]Cu}2(m-NAr)
• Formula: C54 H67 Cu2 N5
• Calculated formula: C54 H67 Cu2 N5
• SMILES: [Cu]1(N(c2c(C)cc(cc2C)C)C(=CC(=[N]1c1c(C)cc(cc1C)C)C)C)N([Cu]1N(c2c(C)cc(cc2C)C)C(=CC(=[N]1c1c(cc(cc1C)C)C)C)C)c1cc(cc(c1)C)C
• Title of publication: Transient Terminal Cu-Nitrene Intermediates from Discrete Dicopper Nitrenes
• Authors of publication: Yosra M. Badiei; Ammani Krishnaswamy; Marie M. Melzer; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 15056 - 15057
• a: 11.9791 ± 0.0018 Å
• b: 13.461 ± 0.002 Å
• c: 30.871 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4978 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1128
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1189
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No