Information card for entry 7713577

Structure parameters

• Formula: C23 H33 F6 N3 O P Rh
• Calculated formula: C23 H33 F6 N3 O P Rh
• SMILES: C12N(C=CN1Cc1cccc(COC)[n]1[Rh]134=2[CH]2=[CH]1CC[CH]3=[CH]4CC2)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: β-(Z)-Selective Alkyne Hydrosilylation by a N,O-Functionalized NHC-based Rhodium(I) Catalyst
• Authors of publication: Jiménez, M. Victoria; González-Lainez, Miguel; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 9.728 ± 0.0013 Å
• b: 11.3893 ± 0.0015 Å
• c: 12.1763 ± 0.0016 Å
• α: 104.166 ± 0.002°
• β: 104.253 ± 0.002°
• γ: 100.643 ± 0.002°
• Cell volume: 1224 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0332
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No