Information card for entry 4067287

Structure parameters

• Chemical name: Tricarbonyl-η4-[(Z)-3-(3-chlorophenyl)-4-methylene-5-propylidene -1,3-oxazolidin-2-one]iron(0)
• Formula: C16 H12 Cl Fe N O5
• Calculated formula: C16 H12 Cl Fe N O5
• SMILES: C1(=O)N([C]23[C]4(=[CH](CC)[Fe]34([CH2]=2)(C#[O])(C#[O])C#[O])O1)c1cc(ccc1)Cl
• Title of publication: Synthesis and Reactivity of η4-Diene-Fe(CO)3Complexes fromexo-2-Oxazolidinone Dienes. A Facile Generation of Stable Conjugated Enol-Enamido Species
• Authors of publication: Ortega-Jiménez, Fernando; Benavides, Adriana; Delgado, Francisco; Jiménez-Vázquez, Hugo A.; Tamariz, Joaquín
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 149
• a: 7.3729 ± 0.0017 Å
• b: 12.4058 ± 0.0016 Å
• c: 19.0773 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1744.9 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.089
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No