Information card for entry 2213067

Structure parameters

• Chemical name: 3,3'-Dimethyl-1,1'-ethylenediimidazolium dibromide
• Formula: C10 H16 Br2 N4
• Calculated formula: C10 H16 Br2 N4
• SMILES: c1n(cc[n+]1C)CCn1c[n+](cc1)C.[Br-].[Br-]
• Title of publication: 3,3'-Dimethyl-1,1'-ethylenediimidazolium dibromide
• Authors of publication: Hua-Shu Jin; Hai-Jing Wang; Ying Wang; Ya-Jie Zuo; Chong-Min Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1880 - o1881
• a: 8.4978 ± 0.0011 Å
• b: 8.963 ± 0.0011 Å
• c: 9.2599 ± 0.0012 Å
• α: 90°
• β: 107.676 ± 0.002°
• γ: 90°
• Cell volume: 671.99 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes