Information card for entry 7031767

Structure parameters

• Formula: C20 H28 Br2 Fe N3 O
• Calculated formula: C20 H28 Br2 Fe N3 O
• SMILES: Br[Fe]12(Br)Oc3c(cc(cc3C=[N]1CCc1[n]2c[nH]c1)C(C)(C)C)C(C)(C)C
• Title of publication: (Phenoxyimidazolyl-salicylaldimine)iron complexes: synthesis, properties and iron catalysed ethylene reactions.
• Authors of publication: Yankey, Margaret; Obuah, Collins; Guzei, Ilia A.; Osei-Twum, Emmanuel; Hearne, Giovanni; Darkwa, James
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 37
• Pages of publication: 13913 - 13923
• a: 7.931 ± 0.002 Å
• b: 14.457 ± 0.004 Å
• c: 20.04 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2297.8 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No