Information card for entry 7034877

Structure parameters

• Formula: C16 H35 O P2 Rh
• Calculated formula: C16 H35 O P2 Rh
• SMILES: C1C[P](C(C)C)(C(C)C)[Rh](C#[O])(C)[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: 7.5908 ± 0.0004 Å
• b: 14.17 ± 0.0007 Å
• c: 18.0805 ± 0.0008 Å
• α: 93.393 ± 0.0019°
• β: 95.297 ± 0.0018°
• γ: 90.279 ± 0.0019°
• Cell volume: 1932.96 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No