Information card for entry 7108420

Structure parameters

• Formula: C18 H20 Dy N5 O14 Zn
• Calculated formula: C18 H20 Dy N5 O14 Zn
• SMILES: [Dy]12345([O]6[Zn]78([N](=Cc9cccc([O]5C)c69)CC[N]7=Cc5cccc([O]2C)c5[O]48)ON(=O)=O)([OH2])(ON(=[O]1)=O)[O]=N(=O)O3
• Title of publication: A bifunctional luminescent single-ion magnet: towards correlation between luminescence studies and magnetic slow relaxation processes
• Authors of publication: Jerome Long; Remi Vallat; Rute A. S. Ferreira; Luis D. Carlos; Filipe A. Almeida Paz; Yannick Guari; Joulia Larionova
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9974
• a: 7.7562 ± 0.00016 Å
• b: 19.244 ± 0.0004 Å
• c: 16.015 ± 0.0003 Å
• α: 90°
• β: 91.3111 ± 0.0018°
• γ: 90°
• Cell volume: 2389.78 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0201
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No