Information card for entry 4311609

Structure parameters

• Formula: C56 H51 Cl4 Mn7 O27 Se9
• Calculated formula: C53.852 H45.852 Mn7 O26 Se9
• Title of publication: Mixed-Valence MnIIIMnIV Clusters [Mn7O8(O2SePh)8(O2CMe)(H2O)] and [Mn7O8(O2SePh)9(H2O)]: Single-Chain Magnets Exhibiting Quantum Tunneling of Magnetization
• Authors of publication: Nicole E. Chakov; Wolfgang Wernsdorfer; Khalil A. Abboud; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5919 - 5930
• a: 10.7776 ± 0.0007 Å
• b: 27.7484 ± 0.0019 Å
• c: 13.4463 ± 0.0009 Å
• α: 90°
• β: 105.67 ± 0.002°
• γ: 90°
• Cell volume: 3871.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1228
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2455
• Weighted residual factors for all reflections included in the refinement: 0.2567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.557
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No