Information card for entry 4080771

Structure parameters

• Formula: C26 H31 F6 N2 O3 P2 Rh
• Calculated formula: C26 H31 F6 N2 O3 P2 Rh
• SMILES: [Rh]1(OC(=CC(=[O]1)C)C)([P](c1ccccc1)(c1ccccc1)=C1N(C=CN1CCCC)C)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Stable Ionic Rh(I,II,III) Complexes Ligated by an Imidazolium-Substituted Phosphine with π-Acceptor Character: Synthesis, Characterization, and Application to Hydroformylation
• Authors of publication: You, Hongxing; Wang, Yongyong; Zhao, Xiaoli; Chen, Shengjie; Liu, Ye
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2698
• a: 8.6869 ± 0.0002 Å
• b: 11.0411 ± 0.0003 Å
• c: 15.9693 ± 0.0004 Å
• α: 96.296 ± 0.001°
• β: 96.046 ± 0.001°
• γ: 97.935 ± 0.001°
• Cell volume: 1496.52 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0392
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No