Information card for entry 4309157

Structure parameters

• Formula: C68 H116 B2 Co2 F6 Fe2 N28 O16 S2
• Calculated formula: C68 H116 B2 Co2 F6 Fe2 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: 15.3587 ± 0.0002 Å
• b: 13.1573 ± 0.0002 Å
• c: 24.1959 ± 0.0004 Å
• α: 90°
• β: 108.394 ± 0.0007°
• γ: 90°
• Cell volume: 4639.68 ± 0.12 ų
• Cell temperature: 90 ± 0.2 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: 0.1097
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No