Information card for entry 2240106

Structure parameters

• Chemical name: (3-Carboxypropyl)triphenylphosphonium hexafluoridophosphate
• Formula: C22 H22 F6 O2 P2
• Calculated formula: C22 H22 F6 O2 P2
• SMILES: [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)CCCC(=O)O.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Crystal structure of (3-carboxypropyl)triphenylphosphonium hexafluoridophosphate
• Authors of publication: Hillesheim, Patrick C.; Scipione, Kent A.; Stokes, Sean L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 11
• Pages of publication: o1197 - o1198
• a: 9.3307 ± 0.0001 Å
• b: 10.6773 ± 0.0002 Å
• c: 12.8129 ± 0.0002 Å
• α: 72.46 ± 0.001°
• β: 82.307 ± 0.001°
• γ: 65.495 ± 0.001°
• Cell volume: 1107.46 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.03 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0419
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes