Information card for entry 4083389

Structure parameters

• Formula: C10 H7 B Br F4 Mn O4
• Calculated formula: C10 H7 B Br F4 Mn O4
• SMILES: [Mn]12345([c]6([cH]1[c]2([cH]3[cH]4[cH]56)OC)Br)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-]
• Title of publication: Cationic Planar Chiral (η6-Arene)Mn(CO)3+Complexes: Resolution, NMR Study in Chiral-Oriented Solvents, and Applications to the Enantioselective Synthesis of 4-Substituted Cyclohexenones and (η6-Phosphinoarene)Mn(CO)3+Complexes
• Authors of publication: Eloi, Antoine; Rose-Munch, Françoise; Rose, Eric; Pille, Ariane; Lesot, Philippe; Herson, Patrick
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3876
• a: 7.138 ± 0.006 Å
• b: 12.326 ± 0.004 Å
• c: 15.347 ± 0.009 Å
• α: 90°
• β: 93.63 ± 0.09°
• γ: 90°
• Cell volume: 1347.6 ± 1.5 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0784
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0968
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0968
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0741
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No