Information card for entry 7014283

Structure parameters

• Formula: C20 H36 F4 I2 N O P2 Rh
• Calculated formula: C20 H36 F4 I2 N O P2 Rh
• SMILES: I[Rh](I)([P](CC)(CC)CC)(c1c(F)c(F)nc(F)c1F)C(=O)C.[P+](CC)(CC)(CC)C
• 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: 19.166 ± 0.0001 Å
• b: 10.092 ± 0.0001 Å
• c: 15.907 ± 0.0002 Å
• α: 90°
• β: 113.339 ± 0.0005°
• γ: 90°
• Cell volume: 2825.03 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.026
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections included in the refinement: 0.0461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No