Information card for entry 4335944

Structure parameters

• Formula: C90 H102 Fe6 Mn8 N6 O40
• Calculated formula: C90 H96 Fe6 Mn8 N6 O37
• Title of publication: Mn8Cluster with Ferrocene-1,1'-Dicarboxylate Ligation: Single-Molecule Magnetism with Multiple External Redox Centers
• Authors of publication: Antonio Masello; Khalil A. Abboud; Wolfgang Wernsdorfer; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10414 - 10423
• a: 23.282 ± 0.003 Å
• b: 19.331 ± 0.003 Å
• c: 22.198 ± 0.003 Å
• α: 90°
• β: 97.885 ± 0.003°
• γ: 90°
• Cell volume: 9896 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0919
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.1024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No