Information card for entry 7700129

Structure parameters

• Chemical name: rhodium(cycloocatdienyl)(1,3-bis(2,4,6-trifluorophenyl)imidazol-2-ylidene)chloride
• Formula: C23 H18 Cl F6 N2 Rh
• Calculated formula: C23 H18 Cl F6 N2 Rh
• 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: 7.6327 ± 0.0005 Å
• b: 10.212 ± 0.0005 Å
• c: 13.8732 ± 0.0008 Å
• α: 94.178 ± 0.004°
• β: 100.162 ± 0.005°
• γ: 98.84 ± 0.005°
• Cell volume: 1046.17 ± 0.11 ų
• Cell temperature: 149.9 ± 0.2 K
• Ambient diffraction temperature: 149.9 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1183
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No