Information card for entry 1543381

Structure parameters

• Formula: C45 H47 B2 Fe N10
• Calculated formula: C45 H47 B2 Fe N10
• Title of publication: Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand
• Authors of publication: Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent
• Journal of publication: Chemical Science
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 9
• Pages of publication: 5939 - 5944
• a: 16.6523 ± 0.0003 Å
• b: 10.1363 ± 0.0002 Å
• c: 29.6556 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5005.65 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No