Information card for entry 7115648

Structure parameters

• Formula: C56.5 H70 Fe2 N6
• Calculated formula: C56.5 H70 Fe2 N6
• Title of publication: Geometric and redox flexibility of pyridine as a redox-active ligand that can reversibly accept one or two electrons
• Authors of publication: Richard A. Lewis; K. Cory MacLeod; Brandon Q. Mercado; Patrick L. Holland
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11114
• a: 15.9655 ± 0.0003 Å
• b: 14.7809 ± 0.0003 Å
• c: 21.7126 ± 0.0015 Å
• α: 90°
• β: 104.422 ± 0.007°
• γ: 90°
• Cell volume: 4962.4 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No