Information card for entry 7062631

Structure parameters

• Formula: C11 H18 Cl8 Fe2 N4
• Calculated formula: C11 H18.78 Cl8 Fe2 N4
• Title of publication: Deep extractive and catalytic oxidative desulfurization of liquid fuels by using iron(iii) based dication ionic liquids
• Authors of publication: Zafar, Anham; Din, Imtiaz-ud-; Batool, Saadia; Palgrave, Robert G.; Yousuf, Sammer
• Journal of publication: New Journal of Chemistry
• Year of publication: 2023
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 15731 - 15747
• a: 26.7047 ± 0.0008 Å
• b: 10.0021 ± 0.0003 Å
• c: 9.1754 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2450.78 ± 0.12 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1953
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No