Information card for entry 4113327

Structure parameters

• Formula: C173 H136 F16 Fe4 O22
• Calculated formula: C173 H124 F16 Fe4 O22
• 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: 13.645 ± 0.002 Å
• b: 16.523 ± 0.003 Å
• c: 16.777 ± 0.003 Å
• α: 93.187 ± 0.003°
• β: 107.174 ± 0.003°
• γ: 95.246 ± 0.003°
• Cell volume: 3585.1 ± 1.1 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: 0.0651
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No