Information card for entry 7701019

Structure parameters

• Formula: C28 H37 Er F3 N5 O6
• Calculated formula: C28 H37 Er F3 N5 O6
• Title of publication: Comparison of two field-induced Er^III single ion magnets.
• Authors of publication: Kühne, Irina A; Ungur, Liviu; Esien, Kane; Carter, Anthony B.; Gordon, John D.; Pauly, Cameron; Müller-Bunz, Helge; Felton, Solveig; Zerulla, Dominic; Morgan, Grace G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 41
• Pages of publication: 15679 - 15686
• a: 12.9038 ± 0.0002 Å
• b: 16.526 ± 0.0002 Å
• c: 14.936 ± 0.0002 Å
• α: 90°
• β: 106.172 ± 0.002°
• γ: 90°
• Cell volume: 3059.04 ± 0.08 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 6
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No