Information card for entry 7226748

Structure parameters

• Formula: C24 H20 Dy N8 Na O8
• Calculated formula: C24 H20 Dy N8 Na O8
• SMILES: C1(=O)c2ccc(c[n]2[Dy]234(O1)([n]1c(C(=O)O2)ccc(c1)N)([n]1c(C(=O)O3)ccc(c1)N)[n]1c(C(=O)O4)ccc(c1)N)N.[Na+]
• Title of publication: Multifunctional applications of a dysprosium-based metal–organic chain with single-ion magnet behaviour
• Authors of publication: Fernández, Belén; Oyarzabal, Itziar; Fischer-Fodor, Eva; Macavei, Sergiu; Sánchez, Ignacio; Seco, José M.; Gómez-Ruiz, Santiago; Rodríguez-Diéguez, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 45
• Pages of publication: 8718
• a: 18.0441 ± 0.0008 Å
• b: 18.0441 ± 0.0008 Å
• c: 8.3135 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2706.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.231
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No