Information card for entry 4349808

Structure parameters

• Formula: C11 H15 Er N8 O10
• Calculated formula: C11 H15 Er N8 O10
• SMILES: [Er]1234([n]5ccccc5N(C)[N]1=Cc1n(C)cc[n]21)(ON(=[O]3)=O)(ON(=[O]4)=O)(ON(=O)=O)[OH2]
• 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: 8.3705 ± 0.0007 Å
• b: 9.3039 ± 0.0007 Å
• c: 12.7182 ± 0.0009 Å
• α: 102.222 ± 0.006°
• β: 103.692 ± 0.007°
• γ: 102.763 ± 0.006°
• Cell volume: 901.39 ± 0.13 ų
• Cell temperature: 120 ± 1 K
• Ambient diffraction temperature: 120 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1485
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.234
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No