Information card for entry 7700126

Structure parameters

• Common name: Rh(cod)Cl(4-F-IPh)
• Chemical name: rhodium(cycloocatdienyl)(1,3-bis(4-fluorophenyl)imidazol-2-ylidene)chloride
• Formula: C92 H88 Cl4 F8 N8 Rh4
• Calculated formula: C92 H88 Cl4 F8 N8 Rh4
• Title of publication: Simple NMR predictors of catalytic hydrogenation activity for [Rh(cod)Cl(NHC)] complexes featuring fluorinated NHC ligands.
• Authors of publication: Jamil, Mohamad Shazwan Shah; Alkaabi, Sultan; Brisdon, Alan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 25
• Pages of publication: 9317 - 9327
• a: 13.6184 ± 0.0007 Å
• b: 17.4744 ± 0.0008 Å
• c: 17.393 ± 0.0012 Å
• α: 90°
• β: 93.479 ± 0.005°
• γ: 90°
• Cell volume: 4131.4 ± 0.4 ų
• Cell temperature: 150 ± 0.3 K
• Ambient diffraction temperature: 150 ± 0.3 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: 0.102
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for significantly intense reflections: 0.1413
• Weighted residual factors for all reflections included in the refinement: 0.158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No