Information card for entry 4067949

Structure parameters

• Formula: C32 H38 F18 I2 Rh2
• Calculated formula: C32 H38 F18 I2 Rh2
• SMILES: [c]12([c]3(C)[Rh]4561([I][Rh]1789([c]%10([c]1([c]7([c]8([c]9%10C)C)C)C)C)([I]6)CC[C@@](F)(C(F)(F)F)C(F)(F)C(F)(F)F)(CC[C@](F)(C(F)(F)F)C(F)(F)C(F)(F)F)[c]2([c]4([c]35C)C)C)C
• 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: 14.6027 ± 0.0014 Å
• b: 8.1396 ± 0.0008 Å
• c: 16.9438 ± 0.0016 Å
• α: 90°
• β: 103.877 ± 0.002°
• γ: 90°
• Cell volume: 1955.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No