Information card for entry 7018315

Structure parameters

• Common name: C18MImTaF6
• Formula: C22 H43 F6 N2 Ta
• Calculated formula: C22 H43 F6 N2 Ta
• SMILES: [Ta](F)(F)(F)(F)(F)[F-].n1(CCCCCCCCCCCCCCCCCC)cc[n+](C)c1
• 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: 9.21 ± 0.0003 Å
• b: 10.1744 ± 0.0003 Å
• c: 28.4495 ± 0.0011 Å
• α: 90°
• β: 96.1688 ± 0.0011°
• γ: 90°
• Cell volume: 2650.46 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0425
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No