Information card for entry 2233646

Structure parameters

• Chemical name: 3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate
• Formula: C28 H33 Br2 N4 O0.5
• Calculated formula: C28 H33 Br2 N4 O0.5
• Title of publication: 3,3'-[1,2-Phenylenebis(methylene)]bis(1-propylbenzimidazolium) dibromide hemihydrate
• Authors of publication: Iqbal, Muhammad Adnan; Haque, Rosenani A.; Fun, Hoong-Kun; Chia, Tze Shyang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o466 - o467
• a: 9.0465 ± 0.0004 Å
• b: 11.4348 ± 0.0005 Å
• c: 14.4143 ± 0.0007 Å
• α: 74.013 ± 0.001°
• β: 82.935 ± 0.001°
• γ: 70.817 ± 0.001°
• Cell volume: 1352.96 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0765
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes