Information card for entry 4313249

Structure parameters

• Common name: [Fe2(O)(N-MeIm)10](ClO4)4.2THF
• Formula: C48 H76 Cl4 Fe2 N20 O19
• Calculated formula: C48 H76 Cl4 Fe2 N20 O19
• SMILES: [Fe](O[Fe]([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)([n]1cn(cc1)C)[n]1cn(cc1)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O1CCCC1.O1CCCC1
• 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: 13.5262 ± 0.0014 Å
• b: 17.0491 ± 0.0015 Å
• c: 28.578 ± 0.003 Å
• α: 90°
• β: 90.06 ± 0.002°
• γ: 90°
• Cell volume: 6590.4 ± 1.1 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1126
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1752
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No