Information card for entry 2230742

Structure parameters

• Chemical name: 3,3'-[1,2-Phenylenebis(methylene)]bis(1-heptylbenzimidazolium) dibromide monohydrate
• Formula: C36 H50 Br2 N4 O
• Calculated formula: C36 H50 Br2 N4 O
• Title of publication: 3,3'-[1,2-Phenylenebis(methylene)]bis(1-heptylbenzimidazolium) dibromide monohydrate
• Authors of publication: Haque, Rosenani A.; Iqbal, Muhammad Adnan; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1814 - o1815
• a: 8.8494 ± 0.0001 Å
• b: 14.717 ± 0.0003 Å
• c: 16.0838 ± 0.0002 Å
• α: 115.705 ± 0.001°
• β: 105.38 ± 0.001°
• γ: 91.946 ± 0.001°
• Cell volume: 1792.85 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.077
• 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: Yes
• Has Fobs: Yes