Information card for entry 4317049

Structure parameters

• Formula: C158 H136 Mn16 N10 O50
• Calculated formula: C158 H136 Mn16 N10 O50
• Title of publication: Mn8 and Mn16 Clusters from the Use of 2-(Hydroxymethyl)pyridine, and Comparison with the Products from Bulkier Chelates: A New High Nuclearity 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: 10579 - 10589
• a: 16.821 ± 0.002 Å
• b: 17.187 ± 0.002 Å
• c: 18.69 ± 0.003 Å
• α: 71.97 ± 0.002°
• β: 69.929 ± 0.002°
• γ: 68.573 ± 0.002°
• Cell volume: 4618.4 ± 1.1 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: 0.1186
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No