Information card for entry 2222869

Structure parameters

• Chemical name: 3,3'-Dimethyl-1,1'-methylenediimidazolium dibromide
• Formula: C9 H14 Br2 N4
• Calculated formula: C9 H14 Br2 N4
• SMILES: C(n1c[n+](cc1)C)n1c[n+](cc1)C.[Br-].[Br-]
• Title of publication: 3,3'-Dimethyl-1,1'-methylenediimidazolium dibromide
• Authors of publication: Liu, Jie; Wei, Xilian; Wei, Zengbin; Liu, Jiuqiang; Zheng, Liqiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2027
• a: 4.731 ± 0.0005 Å
• b: 11.3861 ± 0.0012 Å
• c: 11.8419 ± 0.0015 Å
• α: 90°
• β: 93.672 ± 0.001°
• γ: 90°
• Cell volume: 636.59 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes