Information card for entry 4067944

Structure parameters

• Formula: C18 H29 B F4 I N P Rh
• Calculated formula: C18 H29 B F4 I N P Rh
• SMILES: [Rh]1234(I)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)([n]1ccccc1)[P](C)(C)C.[B](F)(F)(F)[F-]
• Title of publication: Reactions of Half-Sandwich Ethene Complexes of Rhodium(I) toward Iodoperfluorocarbons: Perfluoro-alkylation or -arylation of Coordinated Ethene versus Oxidative Addition
• Authors of publication: Gil-Rubio, Juan; Guerrero-Leal, Juan; Blaya, María; Vicente, José; Bautista, Delia; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1287
• a: 8.1288 ± 0.0003 Å
• b: 21.5156 ± 0.0006 Å
• c: 12.9148 ± 0.0004 Å
• α: 90°
• β: 95.866 ± 0.003°
• γ: 90°
• Cell volume: 2246.92 ± 0.13 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: 0.0372
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No