Information card for entry 4069336

Structure parameters

• Formula: C11 H10 B F4 Mn O5
• Calculated formula: C11 H10 B F4 Mn O5
• SMILES: C(#[O])[Mn]12345(C#[O])(C#[O])[c]6([cH]5[cH]4[c]3([cH]2[c]16OC)C)O.[B](F)(F)(F)[F-]
• Title of publication: π-Complexes of Lignols with Manganese(I) and Ruthenium(II)
• Authors of publication: Morvan, Didier; Rauchfuss, Thomas B.; Wilson, Scott R.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 11
• Pages of publication: 3161
• a: 9.925 ± 0.002 Å
• b: 12.947 ± 0.003 Å
• c: 10.779 ± 0.002 Å
• α: 90°
• β: 95.534 ± 0.003°
• γ: 90°
• Cell volume: 1378.6 ± 0.5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0313
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0689
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No