Information card for entry 7247489

Structure parameters

• Chemical name: N-methyl-N-propylpyrrolidinium (tetrakis)hexafluoroisopropoxy borate
• Formula: C20 H22 B F24 N O4
• Calculated formula: C20 H22 B F24 N O4
• SMILES: FC(F)(F)C(O[B](OC(C(F)(F)F)C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F.[N+]1(C)(CCC)CCCC1
• 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: 8.6128 ± 0.0003 Å
• b: 11.9192 ± 0.0003 Å
• c: 14.6382 ± 0.0004 Å
• α: 93.623 ± 0.002°
• β: 94.957 ± 0.003°
• γ: 93.773 ± 0.002°
• Cell volume: 1490.27 ± 0.08 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: 0.0528
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1268
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No