Information card for entry 4105109

Structure parameters

• Formula: C11 H10 B F4 Mn O4
• Calculated formula: C11 H10 B F4 Mn O4
• SMILES: [Mn]12345([cH]6[c]1([cH]2[cH]3[cH]4[c]56C)OC)(C#[O])(C#[O])C#[O].[B](F)(F)(F)[F-]
• Title of publication: Resolution of Planar Chiral Cationic (η6-Arene)tricarbonylmanganese Complexes
• Authors of publication: Antoine Eloi; Françoise Rose-Munch; Eric Rose
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14178 - 14179
• a: 10.0577 ± 0.0019 Å
• b: 10.8143 ± 0.001 Å
• c: 13.1328 ± 0.0019 Å
• α: 90°
• β: 100.152 ± 0.014°
• γ: 90°
• Cell volume: 1406.1 ± 0.4 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections: 0.1149
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0744
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No