Information card for entry 7108386

Structure parameters

• Formula: C54 H106 Fe4 Lu2 N16 O24
• Calculated formula: C54 H106 Fe4 Lu2 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: 12.345 ± 0.002 Å
• b: 13.741 ± 0.002 Å
• c: 13.7745 ± 0.001 Å
• α: 115.97 ± 0.03°
• β: 100.368 ± 0.012°
• γ: 99.465 ± 0.012°
• Cell volume: 1986.7 ± 0.8 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: 0.1338
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1826
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No