Information card for entry 4088103

Structure parameters

• Chemical name: Chloro-(η^4^-1,5-cyclooctadienyl)-(ferrocenyl-ethoxy-carbene)-rhodium
• Formula: C21 H26 Cl Fe O Rh
• Calculated formula: C21 H26 Cl Fe O Rh
• SMILES: [Rh]123(Cl)([CH]4=[CH]1CC[CH]2=[CH]3CC4)=C(OCC)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Rhodium(I) Ferrocenylcarbene Complexes: Synthesis, Structural Determination, Electrochemistry, and Application as Hydroformylation Catalyst Precursors
• Authors of publication: Ramollo, G. Kabelo; López-Gómez, María J.; Liles, David C.; Matsinha, Leah C.; Smith, Gregory S.; Bezuidenhout, Daniela I.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 24
• Pages of publication: 5745
• a: 7.1117 ± 0.0003 Å
• b: 15.6717 ± 0.0007 Å
• c: 17.0417 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1899.34 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No