Information card for entry 1573299

Structure parameters

• Formula: C15 H16 Lu N6 O11
• Calculated formula: C15 H16 Lu N6 O11
• SMILES: [Lu]12345(ON(=[O]2)=O)([O]=[N]2C(OCC2(C)C)(c2[n]1cccc2)c1[n]5cccc1)(ON(=O)=[O]4)ON(=[O]3)=O
• Title of publication: Slow magnetic relaxation and strong magnetic coupling in the nitroxyl radical complexes of lanthanide(iii) with diamagnetic ground state (Ln = Lu, Eu).
• Authors of publication: Sorace, Lorenzo; Dmitriev, Alexey A.; Perfetti, Mauro; Vostrikova, Kira E.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 16
• Journal issue: 1
• Pages of publication: 218 - 232
• a: 9.9511 ± 0.0002 Å
• b: 16.4632 ± 0.0004 Å
• c: 12.8156 ± 0.0003 Å
• α: 90°
• β: 104.088 ± 0.001°
• γ: 90°
• Cell volume: 2036.39 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0159
• Residual factor for significantly intense reflections: 0.0149
• Weighted residual factors for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.0316
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No