Information card for entry 4116176

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)(ON(=O)=[O]3)([O]=N(=O)O1)(ON(=[O]2)=O)[O]=N(C(C)(C)C)=Cc1n(c(n[n]51)C)C
• Title of publication: Systematic Investigations 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 [J. Am. Chem. Soc.2000,122, 3413-3421].
• Authors of publication: Myrtil L. Kahn; Jean-Pascal Sutter; Stephane Golhen; Philippe Guionneau; Lahcene Ouahab; Olivier Kahn; Daniel Chasseau
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 9566 - 9566
• a: 10.199 ± 0.002 Å
• b: 10.631 ± 0.002 Å
• c: 14.062 ± 0.002 Å
• α: 82.49 ± 0.01°
• β: 69.358 ± 0.01°
• γ: 83.35 ± 0.01°
• Cell volume: 1410.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1004
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No