Information card for entry 4328390

Structure parameters

• Formula: C124 H168 Cl6 Fe4 N24 O40
• Calculated formula: C124 H168 Cl6 Fe4 N24 O40
• Title of publication: Evaluating the Identity and Diiron Core Transformations of a (μ-Oxo)diiron(III) Complex Supported by Electron-Rich Tris(pyridyl-2-methyl)amine Ligands
• Authors of publication: Loi H. Do; Genqiang Xue; Lawrence Que; Stephen J. Lippard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2393 - 2402
• a: 28.2258 ± 0.0019 Å
• b: 11.7652 ± 0.0008 Å
• c: 22.4938 ± 0.0015 Å
• α: 90°
• β: 106.685 ± 0.001°
• γ: 90°
• Cell volume: 7155.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0722
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1759
• Weighted residual factors for all reflections included in the refinement: 0.1815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No