Information card for entry 7247491

Structure parameters

• Chemical name: N-methyl-N-propylpyrrolidinium (tetrakis)trifluoroethoxy borate
• Formula: C16 H26 B F12 N O4
• Calculated formula: C16 H26 B F12 N O4
• 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: 17.6281 ± 0.0002 Å
• b: 18.6841 ± 0.0002 Å
• c: 28.371 ± 0.0003 Å
• α: 90°
• β: 96.401 ± 0.001°
• γ: 90°
• Cell volume: 9286.17 ± 0.18 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• 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: 0.1351
• Residual factor for significantly intense reflections: 0.1216
• Weighted residual factors for significantly intense reflections: 0.3503
• Weighted residual factors for all reflections included in the refinement: 0.3587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No