Information card for entry 7010933

Structure parameters

• Formula: C24 H72 Cl4 Fe2 O41
• Calculated formula: C24 H72 Cl4 Fe2 O41
• SMILES: [OH2][Fe](O[Fe]([OH2])([OH2])([OH2])([OH2])[OH2])([OH2])([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O.C1COCCOCCOCCOCCOCCO1.Cl(=O)(=O)(=O)[O-].O.[O-]Cl(=O)(=O)=O.C1COCCOCCOCCOCCOCCO1.Cl(=O)(=O)(=O)[O-].O
• Title of publication: Utilization of crown ethers to stabilize the dinuclear μ-oxo bridged iron(III) aqua ion, [(H2O)5Fe(μ-O)Fe(OH2)5]4+
• Authors of publication: Peter C. Junk; Brian J. McCool; Boujemaa Moubaraki; Keith S. Murray; Leone Spiccia; John D. Cashion; Jonathan W. Steed
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 1024 - 1029
• a: 10.2655 ± 0.0007 Å
• b: 12.2247 ± 0.0006 Å
• c: 12.2953 ± 0.0006 Å
• α: 71.82 ± 0.002°
• β: 72.129 ± 0.002°
• γ: 66.353 ± 0.002°
• Cell volume: 1313.25 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No