Information card for entry 7106168

Structure parameters

• Formula: C16 H34 Dy N4 Na O13
• Calculated formula: C16 H24 Dy N4 Na O13
• SMILES: [Dy]1234567([N]8(CC(=O)O7)CC[N]3(CC[N]1(CC[N]2(CC(=O)O6)CC8)CC(=O)O5)CC(=O)O4)[OH2].[Na+].O.O.O.O
• Title of publication: Giant field dependence of the low temperature relaxation of the magnetization in a dysprosium(III)–DOTA complex
• Authors of publication: Pierre-Emmanuel Car; Matteo Mannini; Mauro Perfetti; Annaick Favre; Andrea Caneschi; Roberta Sessoli
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 3751
• a: 8.719 ± 0.001 Å
• b: 9.079 ± 0.001 Å
• c: 15.637 ± 0.001 Å
• α: 82.962 ± 0.005°
• β: 85.824 ± 0.005°
• γ: 81.637 ± 0.005°
• Cell volume: 1213.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No