Information card for entry 7106656

Structure parameters

• Formula: C105 H115 Fe4 N11 O18
• Calculated formula: C105 H115 Fe4 N11 O18
• Title of publication: An Enantiopure Fe(III)4 Single Molecule Magnet
• Authors of publication: Yuan-Yuan Zhu; Xiao Guo; Chang Cui; Bing-Wu Wang; Zhe-Ming Wang; Song Gao
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 8049
• a: 14.705 ± 0.003 Å
• b: 23.33 ± 0.005 Å
• c: 15.038 ± 0.003 Å
• α: 90°
• β: 103.008 ± 0.003°
• γ: 90°
• Cell volume: 5026.7 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No