Information card for entry 7218074

Structure parameters

• Common name: tetrabutylphosphonium hexafluorophosphate
• Formula: C16 H36 F6 P2
• Calculated formula: C16 H36 F6.0008 P2
• Title of publication: The structural classification of the highly disordered crystal phases of [Nn][BF4], [Nn][PF6], [Pn][BF4], and [Pn][PF6] salts (Nn(+) = tetraalkylammonium and Pn(+) = tetraalkylphosphonium).
• Authors of publication: Matsumoto, Kazuhiko; Harinaga, Ukyo; Tanaka, Ryo; Koyama, Akira; Hagiwara, Rika; Tsunashima, Katsuhiko
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 43
• Pages of publication: 23616 - 23626
• a: 9.9807 ± 0.0009 Å
• b: 13.8901 ± 0.0015 Å
• c: 16.2367 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2250.9 ± 0.4 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n 2a
• Residual factor for all reflections: 0.1426
• Residual factor for significantly intense reflections: 0.0951
• Weighted residual factors for significantly intense reflections: 0.3034
• Weighted residual factors for all reflections included in the refinement: 0.3493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No