Information card for entry 4316939

Structure parameters

• Formula: C19 H21 F6 Fe N3 O4 S2
• Calculated formula: C19 H21 F6 Fe N3 O4 S2
• SMILES: [Fe]12345678([cH]9[c]1(n1c[n+](cc1)CCCC)[cH]2[cH]4[cH]39)[cH]1[cH]7[cH]5[cH]8[cH]61.S(=O)(=O)(C(F)(F)F)N=S(=O)([O-])C(F)(F)F
• 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: 9.7368 ± 0.0005 Å
• b: 20.6111 ± 0.001 Å
• c: 11.8747 ± 0.0006 Å
• α: 90°
• β: 97.649 ± 0.001°
• γ: 90°
• Cell volume: 2361.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0248
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No