Information card for entry 4309156

Structure parameters

• Formula: C68 H114 B2 F6 Fe2 Mn2 N28 O16 S2
• Calculated formula: C68 H114 B2 F6 Fe2 Mn2 N28 O16 S2
• Title of publication: Single-Molecule Magnets Constructed from Cyanometalates: {[Tp*FeIII(CN)3MII(DMF)4]2[OTf]2}.2DMF (MII= Co, Ni)
• Authors of publication: Dongfeng Li; Sean Parkin; Guangbin Wang; Gordon T. Yee; Andrey V. Prosvirin; Stephen M. Holmes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 4903 - 4905
• a: 15.295 ± 0.003 Å
• b: 13.194 ± 0.003 Å
• c: 24.321 ± 0.005 Å
• α: 90°
• β: 107.09 ± 0.03°
• γ: 90°
• Cell volume: 4691.3 ± 1.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1087
• Residual factor for significantly intense reflections: 0.0655
• Weighted residual factors for significantly intense reflections: 0.1801
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No