Information card for entry 2242415

Structure parameters

• Chemical name: 2-Bromo-1,3-dimethylimidazolium iodide hemi(diiodide)
• Formula: C10 H16 Br2 I4 N4
• Calculated formula: C10 H16 Br2 I4 N4
• SMILES: Brc1n(cc[n+]1C)C.[I-].II.Brc1n(cc[n+]1C)C.[I-]
• Title of publication: Synthesis and crystal structures of 2-bromo-1,3-dimethylimidazolium iodides
• Authors of publication: Lampl, Martin; Laus, Gerhard; Kahlenberg, Volker; Wurst, Klaus; Huppertz, Hubert; Schottenberger, Herwig
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 4
• Pages of publication: 497 - 501
• a: 6.0861 ± 0.0004 Å
• b: 14.4773 ± 0.0011 Å
• c: 12.0303 ± 0.0007 Å
• α: 90°
• β: 97.812 ± 0.005°
• γ: 90°
• Cell volume: 1050.16 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0406
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.343
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes