Information card for entry 7014279

Structure parameters

• Formula: C18 H30 F4 N O P2 Rh
• Calculated formula: C18 H30 F4 N O P2 Rh
• SMILES: [Rh]([P](CC)(CC)CC)([P](CC)(CC)CC)(c1c(F)c(F)nc(F)c1F)C#[O]
• Title of publication: C-F or C-H bond activation and C-C coupling reactions of fluorinated pyridines at rhodium: synthesis, structure and reactivity of a variety of tetrafluoropyridyl complexes.
• Authors of publication: Noveski, Daniel; Braun, Thomas; Neumann, Beate; Stammler, Anja; Stammler, Hans-Georg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 4106 - 4119
• a: 8.796 ± 0.0001 Å
• b: 8.957 ± 0.0001 Å
• c: 14.55 ± 0.0001 Å
• α: 81.199 ± 0.0004°
• β: 80.936 ± 0.0003°
• γ: 77.707 ± 0.0004°
• Cell volume: 1097.55 ± 0.019 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0287
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0576
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.189
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No