Information card for entry 4309278

Structure parameters

• Formula: C120.5 H30 Cl9 F80 Mn12 N O48.5
• Calculated formula: C120.677 H24.854 Cl9.354 F80 Mn12 N O48.495
• Title of publication: Single-Molecule Magnets: Structural Characterization, Magnetic Properties, and 19F NMR Spectroscopy of a Mn12 Family Spanning Three Oxidation Levels
• Authors of publication: Nicole E. Chakov; Mònica Soler; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5304 - 5321
• a: 33.6633 ± 0.0002 Å
• b: 17.3311 ± 0.0009 Å
• c: 27.2564 ± 0.0002 Å
• α: 90°
• β: 94.209 ± 0.0002°
• γ: 90°
• Cell volume: 15859.1 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1307
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1325
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No