Information card for entry 4310098

Structure parameters

• Formula: C124 H196 F32 Mn12 O56
• Calculated formula: C115.048 H57.144 F32.952 Mn12 O48
• Title of publication: Single-Molecule Magnets: A Reductive Aggregation Route to New Types of Mn12 Complexes
• Authors of publication: Philippa King; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8659 - 8669
• a: 30.222 ± 0.002 Å
• b: 21.0617 ± 0.0017 Å
• c: 27.151 ± 0.002 Å
• α: 90°
• β: 116.817 ± 0.002°
• γ: 90°
• Cell volume: 15424 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1694
• Residual factor for significantly intense reflections: 0.0752
• Weighted residual factors for significantly intense reflections: 0.182
• Weighted residual factors for all reflections included in the refinement: 0.205
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No