Information card for entry 4103053

Structure parameters

• Common name: Tb4Mn4
• Formula: C135 H155 Mn4 N9 O43 Tb4
• Calculated formula: C135 H137 Mn4 N9 O43 Tb4
• Title of publication: [MnIII4LnIII4] Calix[4]arene Clusters as Enhanced Magnetic Coolers and Molecular Magnets
• Authors of publication: Georgios Karotsis; Stuart Kennedy; Simon J. Teat; Christine M. Beavers; Drew A. Fowler; Juan J. Morales; Marco Evangelisti; Scott J. Dalgarno; Euan K. Brechin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 12983 - 12990
• a: 17.87 ± 0.05 Å
• b: 19.62 ± 0.05 Å
• c: 23.8 ± 0.07 Å
• α: 102.46 ± 0.04°
• β: 104.83 ± 0.04°
• γ: 96.28 ± 0.04°
• Cell volume: 7756 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0822
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No