Information card for entry 7034883

Structure parameters

• Formula: C21 H32 F5 O P2 Rh
• Calculated formula: C21 H32 F5 O P2 Rh
• SMILES: [Rh]1([P](CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C)(C#[O])c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and structure of rhodium(i) silyl carbonyl complexes: photochemical C-F and C-H bond activation of fluorinated aromatic compounds.
• Authors of publication: Zámostná, Lada; Sander, Stefan; Braun, Thomas; Laubenstein, Reik; Braun, Beatrice; Herrmann, Roy; Kläring, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9450 - 9469
• a: 7.8101 ± 0.0002 Å
• b: 16.5834 ± 0.0004 Å
• c: 18.9331 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2452.18 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No