Information card for entry 7025999

Structure parameters

• Common name: fe4estereC5
• Formula: C86 H148 Fe4 O22
• Calculated formula: C86 H148 Fe4 O22
• Title of publication: Introduction of ester and amido functions in tetrairon(III) single-molecule magnets: synthesis and physical characterization.
• Authors of publication: Rodriguez-Douton, Maria Jesus; Cornia, Andrea; Sessoli, Roberta; Sorace, Lorenzo; Barra, Anne-Laure
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 25
• Pages of publication: 5851 - 5859
• a: 16.8972 ± 0.0008 Å
• b: 15.6869 ± 0.0007 Å
• c: 19.2477 ± 0.0009 Å
• α: 90°
• β: 110.461 ± 0.001°
• γ: 90°
• Cell volume: 4780 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0474
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No