Information card for entry 2005472

Structure parameters

• Formula: C6 H8 Cl2 N4
• Calculated formula: C6 H8 Cl2 N4
• SMILES: c1([nH]cc[nH+]1)c1[nH]cc[nH+]1.[Cl-].[Cl-]
• Title of publication: 2,2'-Bi(1<i>H</i>-imidazolium) Dichloride
• Authors of publication: Bélanger, S.; Beauchamp, A. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 10
• Pages of publication: 2588 - 2590
• a: 9.5 ± 0.002 Å
• b: 10.031 ± 0.003 Å
• c: 4.91 ± 0.002 Å
• α: 90°
• β: 97.4 ± 0.02°
• γ: 90°
• Cell volume: 464 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.109
• Weighted residual factors for significantly intense reflections: 0.1084
• Goodness-of-fit parameter for all reflections: 1.12
• Goodness-of-fit parameter for significantly intense reflections: 1.146
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No