Information card for entry 4311090

Structure parameters

• Common name: [Fec(CH2-dimethylimidazolium)2][PF6]2
• Formula: C22 H28 F12 Fe N4 P2
• Calculated formula: C22 H28 F12 Fe N4 P2
• SMILES: [cH]12[cH]3[cH]4[cH]5[c]1(Cn1cc[n+](c1C)C)[Fe]16782345[cH]2[cH]1[cH]6[cH]7[c]82Cn1cc[n+](c1C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The First (Ferrocenylmethyl)imidazolium and (Ferrocenylmethyl)triazolium Room Temperature Ionic Liquids
• Authors of publication: Ye Gao; Brendan Twamley; Jeanne M. Shreeve
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3406 - 3412
• a: 7.9312 ± 0.0016 Å
• b: 9.5198 ± 0.0019 Å
• c: 10.575 ± 0.002 Å
• α: 97.2 ± 0.03°
• β: 111.68 ± 0.03°
• γ: 113.93 ± 0.03°
• Cell volume: 641.6 ± 0.4 ų
• Cell temperature: 84 ± 2 K
• Ambient diffraction temperature: 84 ± 2 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: 0.0529
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No