Information card for entry 4306481

Structure parameters

• Formula: C26 H51 F9 Fe2 N8 O10 S3
• Calculated formula: C25.789 H25.476 F9 Fe2 N8 O10 S3
• Title of publication: Dimanganese and Diiron Complexes of a Binucleating Cyclam Ligand: Four-Electron, Reversible Oxidation Chemistry at High Potentials
• Authors of publication: Louise A. Berben; Jonas C. Peters
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 11669 - 11679
• a: 17.8273 ± 0.0003 Å
• b: 13.4119 ± 0.0002 Å
• c: 17.0929 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4086.88 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No