Information card for entry 4067946

Structure parameters

• Formula: C36 H38 D6 F14 I2 Rh2
• Calculated formula: C36 H44 F14 I2 Rh2
• SMILES: [Rh]12345([I][Rh]6789([I]1)([c]1([c]6([c]7([c]8([c]91C)C)C)C)C)CCC(F)(C(F)(F)F)C(F)(F)F)([c]1([c]5([c]4([c]3([c]21C)C)C)C)C)CCC(F)(C(F)(F)F)C(F)(F)F.c1ccccc1
• 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: 12.4747 ± 0.0004 Å
• b: 13.3277 ± 0.0005 Å
• c: 15.0019 ± 0.0005 Å
• α: 70.372 ± 0.002°
• β: 66.215 ± 0.002°
• γ: 66.821 ± 0.002°
• Cell volume: 2051.06 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No