Information card for entry 4349809

Structure parameters

• Formula: C25 H26 F9 N10 O9 S3 Yb
• Calculated formula: C25 H26 F9 N10 O9 S3 Yb
• SMILES: [Yb]1234([n]5ccccc5N(C)[N]1=Cc1n(C)cc[n]21)([n]1ccccc1N(C)[N]3=Cc1n(C)cc[n]41)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: New field-induced single ion magnets based on prolate Er(iii) and Yb(iii) ions: tuning the energy barrierUeffby the choice of counterions within an N3-tridentate Schiff-base scaffold
• Authors of publication: Gorczyński, Adam; Marcinkowski, Dawid; Kubicki, Maciej; Löffler, Marta; Korabik, Maria; Karbowiak, Mirosław; Wiśniewski, Piotr; Rudowicz, Czesław; Patroniak, Violetta
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2018
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 605
• a: 11.3018 ± 0.0005 Å
• b: 13.3845 ± 0.0006 Å
• c: 14.5613 ± 0.0004 Å
• α: 96.292 ± 0.003°
• β: 99.214 ± 0.003°
• γ: 107.796 ± 0.004°
• Cell volume: 2040.55 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.305
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No