Information card for entry 4119984

Structure parameters

• Formula: C43 H48 Cu F3 N8 O5 S
• Calculated formula: C43 H48 Cu F3 N8 O5 S
• SMILES: [Cu]([N](N=O)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[N](N=O)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 11.568 ± 0.002 Å
• b: 11.801 ± 0.002 Å
• c: 17.111 ± 0.002 Å
• α: 93.525 ± 0.011°
• β: 99.74 ± 0.012°
• γ: 101.563 ± 0.014°
• Cell volume: 2244.5 ± 0.6 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1236
• Residual factor for significantly intense reflections: 0.108
• Weighted residual factors for significantly intense reflections: 0.2731
• Weighted residual factors for all reflections included in the refinement: 0.2813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No