Information card for entry 7034874

Structure parameters

• Formula: C22 H49 O4 P2 Rh Si
• Calculated formula: C22 H49 O4 P2 Rh Si
• SMILES: C1CC[P](C(C)C)(C(C)C)[Rh](C#[O])([Si](OCC)(OCC)OCC)[P]1(C(C)C)C(C)C
• 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: 8.9988 ± 0.0006 Å
• b: 34.279 ± 0.002 Å
• c: 9.3215 ± 0.0007 Å
• α: 90°
• β: 102.216 ± 0.003°
• γ: 90°
• Cell volume: 2810.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0524
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No