Information card for entry 7108385

Structure parameters

• Formula: C54 H106 Er2 Fe4 N16 O24
• Calculated formula: C54 H106 Er2 Fe4 N16 O24
• Title of publication: New Members of Ferromagnetic Heteronuclear Ferric Wheels: Structure and Properties of {Fe4(Er, Lu)2} coordination clusters
• Authors of publication: Sebastian Schmidt; Denis Prodius; Ghenadie Novitchi; Valeriu Mereacre; George E Kostakis; Annie K.Powell
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9825
• a: 12.3612 ± 0.0014 Å
• b: 13.6377 ± 0.0017 Å
• c: 13.7548 ± 0.0015 Å
• α: 115.92 ± 0.008°
• β: 100.591 ± 0.009°
• γ: 99.214 ± 0.009°
• Cell volume: 1972.7 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 0.903
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No