Information card for entry 4313247

Structure parameters

• Common name: [Fe2O(O2COCH3)(N-MeIm)8](ClO4)3.0.5NMeIm.THF
• Formula: C40 H62 Cl3 Fe2 N17 O17
• Calculated formula: C40 H62 Cl3 Fe2 N17 O17
• Title of publication: Reaction of (μ-Oxo)diiron(III) Core with CO2 in N-Methylimidazole: Formation of Mono(μ-carboxylato)(μ-oxo)diiron(III) Complexes with N-Methylimidazole as Ligands
• Authors of publication: Dana S. Marlin; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1681 - 1687
• a: 13.0447 ± 0.0009 Å
• b: 13.5509 ± 0.0009 Å
• c: 18.4953 ± 0.0014 Å
• α: 89.336 ± 0.004°
• β: 82.316 ± 0.004°
• γ: 77.39 ± 0.004°
• Cell volume: 3161.3 ± 0.4 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 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: 0.1375
• Residual factor for significantly intense reflections: 0.0985
• Weighted residual factors for significantly intense reflections: 0.2886
• Weighted residual factors for all reflections included in the refinement: 0.3263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No