Information card for entry 1569291

Structure parameters

• Chemical name: dibutyldibut-3-enylammonium hexafluorophosphate
• Formula: C16 H32 F6 N P
• Calculated formula: C16 H32 F6 N P
• Title of publication: Competitive isomerization and catalyst decomposition during ring-closing metathesis
• Authors of publication: Killeen, Charles; Liu, Jie; Zijlstra, Harmen S.; Maass, Florian; Piers, James; Adams, Reid; Oliver, Allen; McIndoe, J. Scott
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 13
• Pages of publication: 4000 - 4008
• a: 15.201 ± 0.0018 Å
• b: 9.7668 ± 0.0012 Å
• c: 13.4419 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1995.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1111
• Residual factor for significantly intense reflections: 0.0867
• Weighted residual factors for significantly intense reflections: 0.2361
• Weighted residual factors for all reflections included in the refinement: 0.2583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No