Information card for entry 7018306

Structure parameters

• Common name: C18MImPF6
• Formula: C22 H43 F6 N2 P
• Calculated formula: C22 H43 F6 N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].n1(cc[n+](C)c1)CCCCCCCCCCCCCCCCCC
• Title of publication: Effects of alkyl chain length and anion size on thermal and structural properties for 1-alkyl-3-methylimidazolium hexafluorocomplex salts (C(x)MImAF(6), x = 14, 16 and 18; A = P, As, Sb, Nb and Ta).
• Authors of publication: Xu, Fei; Matsumoto, Kazuhiko; Hagiwara, Rika
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 12
• Pages of publication: 3494 - 3502
• a: 9.74 ± 0.002 Å
• b: 9.526 ± 0.002 Å
• c: 29.916 ± 0.007 Å
• α: 90°
• β: 90.578 ± 0.005°
• γ: 90°
• Cell volume: 2775.6 ± 1 ų
• Cell temperature: 328 K
• Ambient diffraction temperature: 328 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.2395
• Residual factor for significantly intense reflections: 0.1341
• Weighted residual factors for significantly intense reflections: 0.3577
• Weighted residual factors for all reflections included in the refinement: 0.4298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No