Information card for entry 4325680

Structure parameters

• Formula: C184 H196 Cl8 Fe8 N24 O56
• Calculated formula: C184 H188 Cl8 Fe8 N24 O56
• Title of publication: Reversible (De)protonation-Induced Valence Inversion in Mixed-Valent Diiron(II,III) Complexes
• Authors of publication: Eric Gouré; Grégory Thiabaud; Michaël Carboni; Nathalie Gon; Patrick Dubourdeaux; Ricardo Garcia-Serres; Martin Clémancey; Jean-Louis Oddou; Adeline Y. Robin; Lilian Jacquamet; Lionel Dubois; Geneviève Blondin; Jean-Marc Latour
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6408 - 6410
• a: 10.17 ± 0.002 Å
• b: 20.44 ± 0.004 Å
• c: 22.5 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4677.2 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.1653
• Weighted residual factors for all reflections included in the refinement: 0.1755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.97959 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No