Information card for entry 4334980

Structure parameters

• Formula: C9 H11 F5 N P
• Calculated formula: C9 H11 F5 N P
• SMILES: C(c1ccccc1)(=[N+](C)C)[P](F)(F)(F)(F)F
• Title of publication: Phosphorus(V) Complexes with Acyclic Monoaminocarbene Ligands via Oxidative Addition
• Authors of publication: Tobias Böttcher; Bassem S. Bassil; Lyuben Zhechkov; Gerd-Volker Röschenthaler
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5651 - 5653
• a: 12.963 ± 0.003 Å
• b: 8.5995 ± 0.0017 Å
• c: 9.641 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1074.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No