Information card for entry 4088106

Structure parameters

• Chemical name: Chloro-carbonyl-(triphenylphosphine)-(ferrocenyl-n-propylamino-carbene) -rhodium bis(dichloromethane) solvate
• Formula: C34 H33 Cl5 Fe O2 P Rh
• Calculated formula: C34 H33 Cl5 Fe O2 P Rh
• SMILES: [Rh](=C(OCC)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)(Cl)(C#[O])[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 10.1692 ± 0.0006 Å
• b: 13.202 ± 0.0008 Å
• c: 13.6942 ± 0.0008 Å
• α: 83.776 ± 0.003°
• β: 88.267 ± 0.003°
• γ: 71.216 ± 0.002°
• Cell volume: 1730.3 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.2015
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No