Information card for entry 7060759

Structure parameters

• Formula: C21 H19 Cl4 Fe N2
• Calculated formula: C21 H19 Cl4 Fe N2
• SMILES: [Fe](Cl)(Cl)(Cl)[Cl-].n1(c2c([n+](c1)Cc1ccccc1)cccc2)Cc1ccccc1
• Title of publication: Synthesis, structural analysis, electrochemical and magnetic properties of tetrachloroferrate ionic liquids
• Authors of publication: Zafar, Anham; Imtiaz-ud-Din.,; Ahmed, Safeer; Bučar, Dejan-Krešimir; Tahir, Muhammad Nawaz; Palgrave, Robert G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 13429 - 13440
• a: 11.8089 ± 0.0001 Å
• b: 14.1846 ± 0.0002 Å
• c: 13.2623 ± 0.0002 Å
• α: 90°
• β: 96.253 ± 0.001°
• γ: 90°
• Cell volume: 2208.28 ± 0.05 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0256
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0611
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No