Information card for entry 4105462

Structure parameters

• Common name: [Me2NN]Cu(h2-ONAr)
• Formula: C29 H34 Cu N3 O
• Calculated formula: C29 H34 Cu N3 O
• SMILES: [Cu]12(N(c3c(cccc3C)C)C(=CC(=[N]1c1c(C)cccc1C)C)C)[O]=[N]2c1cc(C)cc(c1)C
• Title of publication: Nitric Oxide Oxidatively Nitrosylates Ni(I) and Cu(I) C-Organonitroso Adducts
• Authors of publication: Stefan Wiese; Pooja Kapoor; Kamille D. Williams; Timothy H. Warren
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 18105 - 18111
• a: 11.992 ± 0.004 Å
• b: 14.491 ± 0.005 Å
• c: 15.118 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2627.1 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.1016
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No