Information card for entry 4309277

Structure parameters

• Formula: C115 H14 Cl6 F80 Mn12 O48
• Calculated formula: C112 F80 Mn12 O48
• 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: 18.519 ± 0.004 Å
• b: 18.895 ± 0.004 Å
• c: 26.169 ± 0.005 Å
• α: 70.073 ± 0.002°
• β: 72.616 ± 0.002°
• γ: 73.364 ± 0.003°
• Cell volume: 8040 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1499
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2179
• Weighted residual factors for all reflections included in the refinement: 0.2379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No