Information card for entry 4309544

Structure parameters

• Formula: C62 H64 Mn4 O24
• Calculated formula: C62 H64 Mn4 O24
• Title of publication: [Mn12O12(OMe)2(O2CPh)16(H2O)2]2- Single-Molecule Magnets and Other Manganese Compounds from a Reductive Aggregation Procedure
• Authors of publication: Anastasios J. Tasiopoulos; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6324 - 6338
• a: 11.1439 ± 0.0009 Å
• b: 11.8189 ± 0.0009 Å
• c: 12.4652 ± 0.001 Å
• α: 100.433 ± 0.002°
• β: 94.589 ± 0.002°
• γ: 98.936 ± 0.002°
• Cell volume: 1585.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.255
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No