Information card for entry 2225387

Structure parameters

• Chemical name: 3,5-Bis(3-methylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
• Formula: C17 H22 F12 N4 P2
• Calculated formula: C17 H22 F12 N4 P2
• SMILES: n1(Cc2cc(cc(c2)Cn2c[n+](cc2)C)C)c[n+](cc1)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: 3,5-Bis(3-methylimidazolium-1-ylmethyl)toluene bis(hexafluorophosphate)
• Authors of publication: Washeel, Abbas; Haque, Rosenani A.; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o556
• a: 6.1289 ± 0.0001 Å
• b: 19.0139 ± 0.0004 Å
• c: 20.177 ± 0.0004 Å
• α: 90°
• β: 97.39 ± 0.001°
• γ: 90°
• Cell volume: 2331.78 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0772
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes