Information card for entry 4103054

Structure parameters

• Common name: GK2748
• Formula: C130 H140 Dy4 Mn4 N8 O40
• Calculated formula: C130 H122 Dy4 Mn4 N8 O40
• 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: 17.805 ± 0.002 Å
• b: 19.781 ± 0.002 Å
• c: 23.563 ± 0.003 Å
• α: 102.752 ± 0.002°
• β: 104.586 ± 0.002°
• γ: 96.203 ± 0.002°
• Cell volume: 7714.7 ± 1.5 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: 0.0776
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No