Information card for entry 7031766

Structure parameters

• Formula: C20 H28 Cl2 Fe N3 O
• Calculated formula: C20 H28 Cl2 Fe N3 O
• SMILES: [Fe]12(Cl)(Cl)Oc3c(C=[N]2CCc2[n]1c[nH]c2)cc(cc3C(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: 7.7909 ± 0.0003 Å
• b: 14.1052 ± 0.0005 Å
• c: 19.913 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2188.28 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0335
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No