Information card for entry 4115973

Structure parameters

• Formula: C18 H32 N11 O11 Pr
• Calculated formula: C18 H32 N11 O11 Pr
• SMILES: [Pr]12345([O]=N(=Cc6n(c(n[n]46)C)C)C(C)(C)C)([O]=N(C(C)(C)C)=Cc4n(c(n[n]54)C)C)([O]=N(O1)=O)([O]=N(=O)O2)ON(=O)=[O]3
• Title of publication: Systematic Investigation of the Nature of The Coupling between a Ln(III) Ion (Ln = Ce(III) to Dy(III)) and Its Aminoxyl Radical Ligands. Structural and Magnetic Characteristics of a Series of {Ln(organic radical)2} Compounds and the Related {Ln(Nitrone)2} Derivatives
• Authors of publication: Myrtil L. Kahn; Jean-Pascal Sutter; Stéphane Golhen; Philippe Guionneau; Lahcène Ouahab; Olivier Kahn; Daniel Chasseau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 3413 - 3421
• a: 10.199 ± 0.002 Å
• b: 10.63 ± 0.002 Å
• c: 14.062 ± 0.002 Å
• α: 82.49°
• β: 69.36°
• γ: 83.35°
• Cell volume: 1410.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No