Information card for entry 4105608

Structure parameters

• Formula: C33 H50 Cl2 F6 N4 P Rh
• Calculated formula: C33 H50 Cl2 F6 N4 P Rh
• SMILES: [Rh]1234([CH]5=[CH]1CC[CH]2=[CH]3CC5)=C1N(C=CN1C1CCCCC1)[C@H]1[C@H](N2C=4N(C=C2)C2CCCCC2)CCCC1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Hydrosilylation with Biscarbene Rh(I) Complexes: Experimental Evidence for a Silylene-Based Mechanism
• Authors of publication: Peter Gigler; Bettina Bechlars; Wolfgang A. Herrmann; Fritz E. Kühn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 1589 - 1596
• a: 11.6445 ± 0.0004 Å
• b: 12.6184 ± 0.0004 Å
• c: 12.7872 ± 0.0004 Å
• α: 90°
• β: 97.897 ± 0.002°
• γ: 90°
• Cell volume: 1861.07 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No