Information card for entry 7247490

Structure parameters

• Chemical name: iso-butyl(diethyl)methyl phosphonium (tetrakis)trifluoroethoxy borate
• Formula: C17 H30 B F12 O4 P
• Calculated formula: C17 H30 B F12 O4 P
• Title of publication: Fluoroborate ionic liquids as sodium battery electrolytes.
• Authors of publication: Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 40
• Pages of publication: 27718 - 27730
• a: 9.0301 ± 0.0003 Å
• b: 9.92 ± 0.0003 Å
• c: 14.9196 ± 0.0004 Å
• α: 85.444 ± 0.003°
• β: 80.521 ± 0.003°
• γ: 77.435 ± 0.003°
• Cell volume: 1285.34 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No