Information card for entry 4310590

Structure parameters

• Formula: C18 H15 Cl4 F3 Fe2 N4 O
• Calculated formula: C18 H15 Cl4 F3 Fe2 N4 O
• SMILES: [Fe]123(Cl)(O[Fe](Cl)(Cl)Cl)[n]4c(cccc4F)C[N]3(Cc3[n]2c(F)ccc3)Cc2[n]1c(F)ccc2
• Title of publication: Easy Preparation of the Tris(2-fluoro-6-pyridylmethyl)amine Ligand and Instantaneous Reaction of the Corresponding Dichloroferrous Complex with Molecular Dioxygen: New Access to Dinuclear Species
• Authors of publication: Ahmed Machkour; Dominique Mandon; Mohamed Lachkar; Richard Welter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 1545 - 1550
• a: 10.641 ± 0.005 Å
• b: 18.559 ± 0.005 Å
• c: 11.676 ± 0.005 Å
• α: 90 ± 0.005°
• β: 95.097 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2296.7 ± 1.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No