Information card for entry 4113325

Structure parameters

• Formula: C46 H50 F4 Fe O12
• Calculated formula: C46 H50 F4 Fe O12
• Title of publication: Water-Dependent Reactions of Diiron(II) Carboxylate Complexes
• Authors of publication: Sungho Yoon; Stephen J. Lippard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 16692 - 16693
• a: 11.244 ± 0.003 Å
• b: 13.777 ± 0.003 Å
• c: 15.447 ± 0.003 Å
• α: 69.953 ± 0.003°
• β: 89.78 ± 0.004°
• γ: 79.225 ± 0.004°
• Cell volume: 2203.5 ± 0.9 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: 0.0561
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1278
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No