Information card for entry 7708359

Structure parameters

• Chemical name: [Dy2(HL)2(NO3)2].2CH3CN.2H2O (2)
• Formula: C74 H74 Dy2 N12 O14
• Calculated formula: C74 H74 Dy2 N12 O14
• Title of publication: Coordination anion effects on the geometry and magnetic interaction of binuclear Dy2 single-molecule magnets
• Authors of publication: Wu, Jinjiang; Li, Xiao-Lei; La Droitte, Léo; Cador, Olivier; Le Guennic, Boris; Tang, Jinkui
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 14.6039 ± 0.0009 Å
• b: 15.8167 ± 0.0009 Å
• c: 16.5425 ± 0.001 Å
• α: 90°
• β: 107.585 ± 0.002°
• γ: 90°
• Cell volume: 3642.5 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0284
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0521
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No