Information card for entry 7129159

Structure parameters

• Formula: C25 H12 Cl2 F5 Fe N4
• Calculated formula: C25 H12 Cl2 F5 Fe N4
• Title of publication: Intercepting a Transient Non-Hemic Pyridine N-Oxide Fe(III) Species Involved in Oxygen Atom Transfer Reactions
• Authors of publication: Vo, Nhat Tam; Herrero, Christian; Guillot, Régis; Inceoglu, Tanya; Leibl, Winfried; Clémancey, Martin; Dubourdeaux, Patrick; Blondin, Geneviève; Aukauloo, Ally; Sircoglou, Marie
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 19.907 ± 0.003 Å
• b: 13.511 ± 0.002 Å
• c: 26.718 ± 0.005 Å
• α: 90°
• β: 104.497 ± 0.008°
• γ: 90°
• Cell volume: 6957 ± 2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No