Information card for entry 4311608

Structure parameters

• Formula: C62 H63 Mn7 N6 O27 Se8
• Calculated formula: C50 H43 Mn7 O27 Se8
• 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: 10.7432 ± 0.0008 Å
• b: 15.1584 ± 0.0011 Å
• c: 24.3955 ± 0.0018 Å
• α: 99.639 ± 0.002°
• β: 91.197 ± 0.002°
• γ: 105.776 ± 0.002°
• Cell volume: 3759.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.1605
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 0.802
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No