Information card for entry 7115649

Structure parameters

• Formula: C145 H183 Fe4 N17 O3
• Calculated formula: C145 H183 Fe4 N17 O3
• 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: 27.6897 ± 0.0002 Å
• b: 11.5655 ± 0.0005 Å
• c: 42.052 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13467 ± 1.1 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.1701
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No