Information card for entry 1553188

Structure parameters

• Formula: C26 H23 F6 N2 O P2 Rh
• Calculated formula: C26 H23 F6 N2 O P2 Rh
• SMILES: [Rh]12([P](Cc3[n]1c(C[NH]2c1ccccc1)ccc3)(c1ccccc1)c1ccccc1)C#[O].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Rhodium catalysed conversion of carbenes into ketenes and ketene imines using PNN pincer complexes
• Authors of publication: Tang, Z.; Mandal, S.; Paul, N. D.; Lutz, M.; Li, P.; van der Vlugt, J. I.; de Bruin, B.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 1561
• a: 10.6439 ± 0.0013 Å
• b: 11.6245 ± 0.0014 Å
• c: 21.782 ± 0.003 Å
• α: 90°
• β: 100.416 ± 0.002°
• γ: 90°
• Cell volume: 2650.7 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No