Information card for entry 4113326

Structure parameters

• Formula: C92 H82 F8 Fe2 O15
• Calculated formula: C92 H82 F8 Fe2 O15
• 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: 14.537 ± 0.003 Å
• b: 15.812 ± 0.003 Å
• c: 20.001 ± 0.004 Å
• α: 92.153 ± 0.003°
• β: 109.997 ± 0.003°
• γ: 98.874 ± 0.003°
• Cell volume: 4248.3 ± 1.5 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: 0.0709
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No