Information card for entry 4310589

Structure parameters

• Formula: C18 H15 Cl2 F3 Fe N4
• Calculated formula: C18 H15 Cl2 F3 Fe N4
• SMILES: [Fe]12(Cl)(Cl)[N](Cc3[n]1c(F)ccc3)(Cc1nc(F)ccc1)Cc1[n]2c(F)ccc1
• 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: 8.794 ± 0.001 Å
• b: 12.811 ± 0.001 Å
• c: 17.291 ± 0.001 Å
• α: 90 ± 0.001°
• β: 94.966 ± 0.001°
• γ: 90 ± 0.001°
• Cell volume: 1940.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No