Information card for entry 1569292

Structure parameters

• Chemical name: dibutyldiallylammonium hexafluorophosphate
• Formula: C14 H28 F6 N P
• Calculated formula: C14 H28 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: 9.4663 ± 0.0013 Å
• b: 13.2301 ± 0.0018 Å
• c: 14.178 ± 0.002 Å
• α: 90°
• β: 93.998 ± 0.002°
• γ: 90°
• Cell volume: 1771.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0417
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No