Information card for entry 5000356

Structure parameters

• Formula: C104 H104 Cl12 Mn12 N6 O32
• Calculated formula: C104 H104 Cl12 Mn12 N6 O32
• Title of publication: Single-Molecule Magnets: A New Family of Mn12 Clusters of Formula [Mn12O8X4(O2CPh)8L6]
• Authors of publication: Colette Boskovic; Euan K. Brechin; William E. Streib; Kirsten Folting; John C. Bollinger; David N. Hendrickson; George Christou
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3725 - 3736
• a: 14.2602 ± 0.0012 Å
• b: 14.8241 ± 0.0012 Å
• c: 15.7931 ± 0.0014 Å
• α: 94.558 ± 0.002°
• β: 92.773 ± 0.002°
• γ: 114.916 ± 0.002°
• Cell volume: 3005.9 ± 0.7 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5743
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No