Information card for entry 4313248

Structure parameters

• Common name: [Fe2(O)(O2CH)(N-MeIm)8](ClO4)3.THF
• Formula: C37 H57 Cl3 Fe2 N16 O16
• Calculated formula: C37 H57 Cl3 Fe2 N16 O15.92
• 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: 27.106 ± 0.004 Å
• b: 10.186 ± 0.001 Å
• c: 20.362 ± 0.003 Å
• α: 90°
• β: 96.247 ± 0.007°
• γ: 90°
• Cell volume: 5588.6 ± 1.3 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 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: 0.1224
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.221
• Weighted residual factors for all reflections included in the refinement: 0.2557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No