Information card for entry 4320255

Structure parameters

• Formula: C65 H106 Cl18 Mn12 O48
• Calculated formula: C64.52 H98 Cl17.2432 Mn12 O48
• Title of publication: Single-Molecule Magnets: Preparation and Properties of Mixed-Carboxylate Complexes [Mn12O12(O2CR)8(O2CR')8(H2O)4]
• Authors of publication: Mònica Soler; Pau Artus; Kirsten Folting; John C. Huffman; David N. Hendrickson; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 4902 - 4912
• a: 15.762 ± 0.0008 Å
• b: 16.2456 ± 0.0008 Å
• c: 23.8218 Å
• α: 103.916 ± 0.002°
• β: 104.504 ± 0.003°
• γ: 94.232 ± 0.003°
• Cell volume: 5673.6 ± 0.4 ų
• Cell temperature: 108 K
• Ambient diffraction temperature: 108 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 significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0534
• Goodness-of-fit parameter for all reflections included in the refinement: 2.0252
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No