Information card for entry 7034881

Structure parameters

• Formula: C32 H68 O2 P4 Rh2
• Calculated formula: C32 H68 O2 P4 Rh2
• SMILES: [Rh]123([Rh]4([P](CCC[P]4(C(C)C)C(C)C)(C(C)C)C(C)C)(C2=O)C3=O)[P](CCC[P]1(C(C)C)C(C)C)(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: 20.9572 ± 0.0006 Å
• b: 9.8967 ± 0.0003 Å
• c: 18.3696 ± 0.0006 Å
• α: 90°
• β: 91.731 ± 0.002°
• γ: 90°
• Cell volume: 3808.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0433
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0825
• 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