Information card for entry 7701020

Structure parameters

• Formula: C30 H48 Er N5 O8
• Calculated formula: C30 H48 Er N5 O8
• 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: 10.6073 ± 0.0003 Å
• b: 15.3338 ± 0.0004 Å
• c: 20.435 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3323.76 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No