Information card for entry 1553190

Structure parameters

• Formula: C22 H25 F6 N2 O2 P2 Rh
• Calculated formula: C22 H25 F6 N2 O2 P2 Rh
• SMILES: C1c2cccc3[n]2[Rh]([NH]1C)([P](c1ccccc1)(c1ccccc1)C3)C#[O].[P](F)(F)(F)(F)(F)[F-].OC
• 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: 9.70447 ± 0.00019 Å
• b: 9.77001 ± 0.00015 Å
• c: 14.1603 ± 0.0003 Å
• α: 83.358 ± 0.001°
• β: 74.636 ± 0.001°
• γ: 74.636 ± 0.001°
• Cell volume: 1246.84 ± 0.04 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: 0.0243
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0567
• Weighted residual factors for all reflections included in the refinement: 0.0577
• 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: Yes
• Has Fobs: No