Information card for entry 4119987

Structure parameters

• Formula: C42 H48 Cl4 Cu2 N8 O2
• Calculated formula: C42 H48 Cl4 Cu2 N8 O2
• SMILES: C1(N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)=[N]1N=[O][Cu]21(Cl)[Cl][Cu]1([N](=C3N(C=CN3c3c(cc(cc3C)C)C)c3c(cc(cc3C)C)C)N=[O]1)(Cl)[Cl]2
• Title of publication: Adducts of Nitrous Oxide and N-Heterocyclic Carbenes: Syntheses, Structures, and Reactivity
• Authors of publication: Alexander G. Tskhovrebov; Basile Vuichoud; Euro Solari; Rosario Scopelliti; Kay Severin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 9486 - 9492
• a: 10.965 ± 0.006 Å
• b: 15.158 ± 0.006 Å
• c: 13.673 ± 0.006 Å
• α: 90°
• β: 104.57 ± 0.03°
• γ: 90°
• Cell volume: 2199.5 ± 1.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 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: 0.0944
• Residual factor for significantly intense reflections: 0.0595
• Weighted residual factors for significantly intense reflections: 0.1486
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No