Information card for entry 1547705

Structure parameters

• Formula: C39 H23 Cl8 Dy N5 Na O5
• Calculated formula: C39 H23 Cl8 Dy N5 Na O5
• SMILES: c1ccc2c(cc(c3c2[n]1[Dy]124([n]5c6c([O]27)c(Cl)cc(Cl)c6ccc5)([n]2cccc5c(cc(c(c25)[O]42)Cl)Cl)([n]4cccc5c4c(c(Cl)cc5Cl)[O]1[Na]72[O]=CN(C)C)O3)Cl)Cl
• Title of publication: Sublimable chloroquinolinate lanthanoid single-ion magnets deposited on ferromagnetic electrodes.
• Authors of publication: Miralles, Sara G.; Bedoya-Pinto, Amilcar; Baldoví, José J; Cañon-Mancisidor, Walter; Prado, Yoann; Prima-Garcia, Helena; Gaita-Ariño, Alejandro; Mínguez Espallargas, Guillermo; Hueso, Luis E.; Coronado, Eugenio
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 199 - 208
• a: 9.9819 ± 0.0002 Å
• b: 19.8256 ± 0.0004 Å
• c: 20.6783 ± 0.0004 Å
• α: 90°
• β: 91.212 ± 0.002°
• γ: 90°
• Cell volume: 4091.26 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0924
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No