Information card for entry 4314748

Structure parameters

• Formula: C108 H212 Mn12 O49.2
• Calculated formula: C108 H210 Mn12 O49.2
• Title of publication: Binding of Higher Alcohols onto Mn12 Single-Molecule Magnets (SMMs): Access to the Highest Barrier Mn12 SMM
• Authors of publication: Christos Lampropoulos; Gage Redler; Saiti Data; Khalil A. Abboud; Stephen Hill; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 1325 - 1336
• a: 23.601 ± 0.002 Å
• b: 20.4694 ± 0.0018 Å
• c: 29.917 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14453 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No