Information card for entry 4308797

Structure parameters

• Formula: C68 H130 Mn12 N8 O44
• Calculated formula: C68 H122 Mn12 N8 O44
• Title of publication: Wheel-Shaped [Mn12] Single-Molecule Magnets
• Authors of publication: Evan M. Rumberger; Sonali J. Shah; Christopher C. Beedle; Lev N. Zakharov; Arnold L. Rheingold; David N. Hendrickson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 2742 - 2752
• a: 10.1919 ± 0.0005 Å
• b: 15.8827 ± 0.0008 Å
• c: 31.3229 ± 0.0016 Å
• α: 90°
• β: 98.096 ± 0.001°
• γ: 90°
• Cell volume: 5019.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No