Information card for entry 4313250

Structure parameters

• Common name: [Fe2(O)(CH3COO)(N-MeIm)8](ClO4)3.2.5THF
• Formula: C44 H71 Cl3 Fe2 N16 O17.5
• Calculated formula: C44 H59 Cl3 Fe2 N16 O17.5
• 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: 12.363 ± 0.003 Å
• b: 14.151 ± 0.004 Å
• c: 19.276 ± 0.004 Å
• α: 103.499 ± 0.018°
• β: 99.757 ± 0.018°
• γ: 109.673 ± 0.018°
• Cell volume: 2972.3 ± 1.4 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.1099
• Residual factor for significantly intense reflections: 0.0706
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No