Information card for entry 4083479

Structure parameters

• Formula: C14 H18 B F4 Fe O7 P
• Calculated formula: C14 H18 B F4 Fe O7 P
• SMILES: [Fe]1(C#[O])(C#[O])(C#[O])(C(=O)OC([P+](CC)(CC)CC)(C)C1=O)C#[O].[B](F)(F)(F)[F-]
• 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: 11.365 ± 0.001 Å
• b: 13.08 ± 0.001 Å
• c: 14.277 ± 0.002 Å
• α: 111.194 ± 0.01°
• β: 94.811 ± 0.01°
• γ: 99.008 ± 0.01°
• Cell volume: 1931.5 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4068395
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No