Information card for entry 4068394

Structure parameters

• Formula: C15 H21 Fe O8 P
• Calculated formula: C15 H21 Fe O8 P
• SMILES: [Fe]1(C#[O])(C#[O])(C#[O])(C(=O)[C@]([P+](CC)(CC)CC)(OC1=O)C)C(=O)OC
• Title of publication: Phosphine Addition to Pyruvoyl Ligands of Iron Complexes: Formation of Zwitterionic Metallalactones
• Authors of publication: Salaün, J. Y.; Rumin, R.; Setifi, F.; Triki, S.; Jaffrès, P. A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 1
• Pages of publication: 216 - 224
• a: 9.409 ± 0.002 Å
• b: 10.736 ± 0.002 Å
• c: 17.932 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1811.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0989
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No