Information card for entry 4088104

Structure parameters

• Chemical name: Chloro-(η^4^-1,5-cyclooctadienyl)-(ferrocenyl-n-propylamino-carbene)-rhodium
• Formula: C22 H29 Cl Fe N Rh
• Calculated formula: C22 H29 Cl Fe N Rh
• SMILES: [Rh]123(Cl)(=C([c]45[Fe]6789%10%11%12([cH]4[cH]6[cH]7[cH]58)[cH]4[cH]%12[cH]%11[cH]%10[cH]94)NCCC)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• 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: 7.624 ± 0.0004 Å
• b: 10.9419 ± 0.0006 Å
• c: 12.8133 ± 0.0007 Å
• α: 110.51 ± 0.002°
• β: 92.852 ± 0.002°
• γ: 94.14 ± 0.002°
• Cell volume: 995.3 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0446
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No