Information card for entry 2206636

Structure parameters

• Common name: [C~12~mim]Br.H~2~O
• Chemical name: 1-Dodecyl-3-methylimidazolium bromide monohydrate
• Formula: C16 H33 Br N2 O
• Calculated formula: C16 H33 Br N2 O
• Title of publication: 1-Dodecyl-3-methylimidazolium bromide monohydrate
• Authors of publication: Getsis, Anna; Mudring, Anja-Verena
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2945 - o2946
• a: 5.5 ± 0.005 Å
• b: 7.794 ± 0.005 Å
• c: 22.961 ± 0.005 Å
• α: 81.893 ± 0.005°
• β: 83.761 ± 0.005°
• γ: 78.102 ± 0.005°
• Cell volume: 950.3 ± 1.1 ų
• Cell temperature: 263 ± 2 K
• Ambient diffraction temperature: 263 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0652
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No