Information card for entry 4328392

Structure parameters

• Formula: C126 H165 Cl6 Fe4 N21 O43
• Calculated formula: C126 H165 Cl6 Fe4 N21 O43
• 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: 13.6723 ± 0.0012 Å
• b: 22.64 ± 0.002 Å
• c: 24.509 ± 0.002 Å
• α: 99.896 ± 0.001°
• β: 98.875 ± 0.002°
• γ: 102.936 ± 0.001°
• Cell volume: 7135.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1747
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No