Information card for entry 4114349

Structure parameters

• Formula: C40.5 H42.75 Cl4 Mn4 N6.25 O8
• Calculated formula: C40.5 H42.75 Cl4 Mn4 N6.25 O8
• Title of publication: Ferromagnetic and Antiferromagnetic Intermolecular Interactions in a New Family of Mn4 Complexes with an Energy Barrier to Magnetization Reversal
• Authors of publication: Colette Boskovic; Roland Bircher; Philip L. W. Tregenna-Piggott; Hans U. Güdel; Carley Paulsen; Wolfgang Wernsdorfer; Anne-Laure Barra; Eugene Khatsko; Antonia Neels; Helen Stoeckli-Evans
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 14046 - 14058
• a: 10.2734 ± 0.0009 Å
• b: 12.5078 ± 0.0012 Å
• c: 19.1271 ± 0.0019 Å
• α: 71.96 ± 0.011°
• β: 88.22 ± 0.011°
• γ: 81.644 ± 0.011°
• Cell volume: 2311.9 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0621
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0728
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No