Information card for entry 4314456

Structure parameters

• Formula: C67 H106 Mn7 N4 O24
• Calculated formula: C67 H106 Mn7 N4 O24
• Title of publication: Mn7 and Mn12 Clusters From Use of 2-(Pyridine-2-yl)propan-2-ol: A New Half-Integer Single-Molecule Magnet
• Authors of publication: Taketo Taguchi; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 199 - 208
• a: 14.396 ± 0.003 Å
• b: 15.169 ± 0.003 Å
• c: 25.551 ± 0.006 Å
• α: 77.295 ± 0.004°
• β: 88.592 ± 0.004°
• γ: 63.557 ± 0.003°
• Cell volume: 4856.3 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1538
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No