Information card for entry 4116407

Structure parameters

• Formula: C72 H132 Fe4 O18
• Calculated formula: C72 H110.4 Fe4 O18
• Title of publication: Single-Molecule Magnet Behavior of a Tetranuclear Iron(III) Complex. The Origin of Slow Magnetic Relaxation in Iron(III) Clusters
• Authors of publication: A. L. Barra; A. Caneschi; A. Cornia; F. Fabrizi de Biani; D. Gatteschi; C. Sangregorio; R. Sessoli; L. Sorace
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1999
• Journal volume: 121
• Pages of publication: 5302 - 5310
• a: 29.217 ± 0.005 Å
• b: 15.996 ± 0.005 Å
• c: 18.244 ± 0.005 Å
• α: 90°
• β: 94.965 ± 0.01°
• γ: 90°
• Cell volume: 8494 ± 4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.075
• Weighted residual factors for significantly intense reflections: 0.2091
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 1.54052 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No