Information card for entry 7709929

Structure parameters

• Formula: C19 H11 Cl Fe O4
• Calculated formula: C19 H11 Cl Fe O4
• SMILES: [Fe]123([CH](=[CH]1C2(C3=O)c1ccccc1)c1ccc(Cl)cc1)(C#[O])(C#[O])C#[O]
• Title of publication: Iodine-promoted insertion of the oxygen atom from water in η4-vinylketene[Fe(CO)3] complexes
• Authors of publication: González-López, Vianney; Resendiz-Lara, Diego; Rosas-Sánchez, Alfredo; Ledesma-Olvera, Lydia G.; Daran, Jean-Claude; Barquera-Lozada, Jose Enrique; López-Cortés, Jose G.; Ortega-Alfaro, M. Carmen
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 6.5931 ± 0.0002 Å
• b: 8.5797 ± 0.0002 Å
• c: 15.3443 ± 0.0004 Å
• α: 104.201 ± 0.002°
• β: 98.461 ± 0.002°
• γ: 95.747 ± 0.002°
• Cell volume: 823.85 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No