Information card for entry 2233830

Structure parameters

• Chemical name: 3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide
• Formula: C26 H28 Br2 N4
• Calculated formula: C26 H28 Br2 N4
• SMILES: [Br-].[Br-].n1(CC)c2ccccc2[n+](c1)Cc1ccccc1Cn1c2ccccc2[n+](c1)CC
• Title of publication: 3,3'-[1,2-Phenylenebis(methylene)]bis(1-ethylbenzimidazolium) dibromide
• Authors of publication: Haque, Rosenani A.; Iqbal, Muhammad Adnan; Budagumpi, Srinivasa; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o573
• a: 9.7093 ± 0.0007 Å
• b: 35.796 ± 0.003 Å
• c: 8.034 ± 0.0006 Å
• α: 90°
• β: 118.23 ± 0.001°
• γ: 90°
• Cell volume: 2460.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes