Information card for entry 4316916

Structure parameters

• Formula: C172 H130 Fe12 Gd4 N2 O62
• Calculated formula: C172 H118 Fe12 Gd4 N2 O62
• Title of publication: Single-Molecule-Magnet Behavior in a Fe12Sm4 Cluster
• Authors of publication: Yong-Fei Zeng; Guan-Cheng Xu; Xin Hu; Zhuo Chen; Xian-He Bu; Song Gao; E. C. Sañudo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9734 - 9736
• a: 17.614 ± 0.004 Å
• b: 17.925 ± 0.004 Å
• c: 18.627 ± 0.004 Å
• α: 61.22 ± 0.03°
• β: 60.85 ± 0.03°
• γ: 71.2 ± 0.03°
• Cell volume: 4472 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2611
• Residual factor for significantly intense reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.1951
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No