Information card for entry 4088105

Structure parameters

• Chemical name: Dicarbonyl-chloro-(ferrocenyl-propylamino-carbene)-rhodium
• Formula: C16 H17 Cl Fe N O2 Rh
• Calculated formula: C16 H17 Cl Fe N O2 Rh
• SMILES: [Rh](=C(NCCC)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]9[cH]8[cH]7[cH]61)(Cl)(C#[O])C#[O]
• 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: 9.2379 ± 0.0005 Å
• b: 11.6398 ± 0.0004 Å
• c: 15.4055 ± 0.0009 Å
• α: 90°
• β: 93.669 ± 0.002°
• γ: 90°
• Cell volume: 1653.12 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0298
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.0614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No