Information card for entry 2203737

Structure parameters

• Chemical name: 1-Benzyl-3-(ferrocenylmethyl)imidazolium iodide
• Formula: C21 H21 Fe I N2
• Calculated formula: C21 H21 Fe I N2
• Title of publication: 1-Benzyl-3-(ferrocenylmethyl)imidazolium iodide
• Authors of publication: Hui Hua; Guo-Sheng Huang; Yong-Min Liang; Xiao-Li Wu; Yong-Xiang Ma; Bao-Hua Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: m761 - m763
• a: 13.086 ± 0.002 Å
• b: 11.043 ± 0.002 Å
• c: 13.729 ± 0.002 Å
• α: 90°
• β: 92.11 ± 0.02°
• γ: 90°
• Cell volume: 1982.6 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 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: 0.0409
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0677
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes