Information card for entry 2231203

Structure parameters

• Chemical name: 3,3'-Di-<i>n</i>-propyl-1,1'-[<i>p</i>-phenylenebis(methylene)]diimidazolium dibromide
• Formula: C20 H28 Br2 N4
• Calculated formula: C20 H28 Br2 N4
• SMILES: c1cc(ccc1Cn1cc[n+](c1)CCC)Cn1cc[n+](c1)CCC.[Br-].[Br-]
• Title of publication: 3,3'-Di-<i>n</i>-propyl-1,1'-[<i>p</i>-phenylenebis(methylene)]diimidazolium dibromide
• Authors of publication: Haque, Rosenani A.; Nasri, S. Fatimah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1931
• a: 8.942 ± 0.0002 Å
• b: 11.2443 ± 0.0002 Å
• c: 11.3536 ± 0.0002 Å
• α: 90°
• β: 109.716 ± 0.001°
• γ: 90°
• Cell volume: 1074.64 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes