Information card for entry 7010934

Structure parameters

• Formula: C20 H68 Fe2 N5 O39.5
• Calculated formula: C20 H68 Fe2 N5 O39.5
• 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: 15.7399 ± 0.0007 Å
• b: 14.7129 ± 0.0004 Å
• c: 22.0035 ± 0.001 Å
• α: 90°
• β: 110.86 ± 0.002°
• γ: 90°
• Cell volume: 4761.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No