Information card for entry 4077121

Structure parameters

• Formula: C20 H25 Cl2 F5 P Rh
• Calculated formula: C20 H25 Cl2 F5 P Rh
• SMILES: [Rh]1234(Cl)(Cl)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)[P](CC)(CC)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Intramolecular Dehydrofluorinative Coupling of η5-Pentamethylcyclopentadienyl and Pentafluorophenylphosphine Ligands in Rhodium Complexes
• Authors of publication: Bellabarba, Ronan M.; Nieuwenhuyzen, Mark; Saunders, Graham C.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5726
• a: 8.267 ± 0.004 Å
• b: 35.806 ± 0.019 Å
• c: 8.288 ± 0.004 Å
• α: 90°
• β: 116.566 ± 0.008°
• γ: 90°
• Cell volume: 2194.3 ± 1.9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1511
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2242
• Weighted residual factors for all reflections included in the refinement: 0.2564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No