Information card for entry 4316937

Structure parameters

• Formula: C14 H15 F6 Fe N2 P
• Calculated formula: C14 H15 F6 Fe N2 P
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Fe]12345678([c]9([cH]1[cH]7[cH]3[cH]29)n1c[n+](C)cc1)[cH]1[cH]4[cH]5[cH]6[cH]81
• Title of publication: Preparation, Properties, and Crystal Structures of Organometallic Ionic Liquids Comprising 1-Ferrocenyl-3-alkylimidazolium-Based Salts of Bis(trifluoromethanesulfonyl)amide and Hexafluorophosphate
• Authors of publication: Yuji Miura; Fumiko Shimizu; Tomoyuki Mochida
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10032 - 10040
• a: 10.0122 ± 0.0014 Å
• b: 7.8662 ± 0.0011 Å
• c: 19.688 ± 0.003 Å
• α: 90°
• β: 101.454 ± 0.002°
• γ: 90°
• Cell volume: 1519.7 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0526
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No