Information card for entry 2211774

Structure parameters

• Chemical name: 1,1'-Bis(4-fluorobenzyl)-3,3'-ethylenediimidazolium dichloride monohydrate
• Formula: C22 H24 Cl2 F2 N4 O
• Calculated formula: C22 H24 Cl2 F2 N4 O
• SMILES: [Cl-].[Cl-].Fc1ccc(C[n+]2cn(cc2)CCn2c[n+](cc2)Cc2ccc(F)cc2)cc1.O
• Title of publication: 1,1'-Bis(4-fluorobenzyl)-3,3'-ethylenediimidazolium dichloride monohydrate
• Authors of publication: Lee, Hon Man; Chen, Chih-Yuen; Wen-Ling, Chen; Hung-Ching, Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o315 - o316
• a: 8.6232 ± 0.0011 Å
• b: 10.7019 ± 0.0013 Å
• c: 12.7024 ± 0.0016 Å
• α: 78.409 ± 0.004°
• β: 84.1 ± 0.004°
• γ: 85.743 ± 0.004°
• Cell volume: 1140.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes