Information card for entry 4313246

Structure parameters

• Common name: [Fe(N-MeIm)6](ClO4)3
• Formula: C24 H36 Cl3 Fe N12 O12
• Calculated formula: C24 H36 Cl3 Fe N12 O12
• 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: 19.511 ± 0.003 Å
• b: 19.511 ± 0.003 Å
• c: 15.354 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5061.9 ± 1.5 ų
• Cell temperature: 92 ± 2 K
• Ambient diffraction temperature: 92 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0845
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No