Information card for entry 2226151

Structure parameters

• Chemical name: 1,3-Bis(4-bromophenyl)imidazolium chloride dihydrate
• Formula: C15 H15 Br2 Cl N2 O2
• Calculated formula: C15 H15 Br2 Cl N2 O2
• SMILES: c1n(c2ccc(cc2)Br)c[n+](c1)c1ccc(cc1)Br.O.O.[Cl-]
• Title of publication: 1,3-Bis(4-bromophenyl)imidazolium chloride dihydrate
• Authors of publication: Garden, Simon J.; Gama, Paola E.; Tiekink, Edward R. T.; Wardell, James L.; Wardell, Solange M. S. V.; Howie, R. Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1438 - o1439
• a: 17.8377 ± 0.0007 Å
• b: 17.8377 ± 0.0007 Å
• c: 5.127 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1631.33 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 94
• Hermann-Mauguin space group symbol: P 42 21 2
• Hall space group symbol: P 4n 2n
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes