Information card for entry 7025998

Structure parameters

• Common name: fe4amideC5
• Formula: C92 H172 Fe4 N2 O25
• Calculated formula: C92 H146 Fe4 N2 O25
• 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: 28.0304 ± 0.0007 Å
• b: 16.42 ± 0.0005 Å
• c: 28.2307 ± 0.0007 Å
• α: 90°
• β: 122.837 ± 0.001°
• γ: 90°
• Cell volume: 10917.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0852
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No