Information card for entry 4322394

Structure parameters

• Formula: C41 H28 Cl F26 O P2 Rh
• Calculated formula: C41 H28 Cl F26 O P2 Rh
• SMILES: [Rh](Cl)([P](CCC(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(C(F)(F)F)F)F)(c1ccccc1)c1ccccc1)(C#[O])[P](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1
• Title of publication: Synthetic, Thermochemical, and Catalytic Studies of Fluorinated Tertiary Phosphine Ligands R2PRf [R = Cy, Ph, iPr; Rf= CH'2CH2(CF2)5CF3] in Rhodium Systems
• Authors of publication: Dale C. Smith; Edwin D. Stevens; Steven P. Nolan
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5277 - 5281
• a: 12.1416 ± 0.0008 Å
• b: 12.889 ± 0.0009 Å
• c: 17.3455 ± 0.0013 Å
• α: 84.18 ± 0.002°
• β: 80.976 ± 0.002°
• γ: 64.847 ± 0.002°
• Cell volume: 2424.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.192
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.807
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No