Information card for entry 7129160

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: 22.4084 ± 0.0016 Å
• b: 22.4084 ± 0.0016 Å
• c: 25.911 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11267.7 ± 1.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1627
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1578
• Weighted residual factors for all reflections included in the refinement: 0.1902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No