Information card for entry 4327747

Structure parameters

• Common name: [C3mim][HgBr3]
• Chemical name: 1-propyl-3-methylimidazolium trisbromidomercurate(II)
• Formula: C14 H26 Br6 Hg2 N4
• Calculated formula: C14 H26 Br6 Hg2 N4
• SMILES: CCCn1cc[n+](c1)C.[Br]1[Hg](Br)([Br][Hg]1(Br)Br)Br.CCCn1cc[n+](c1)C
• Title of publication: Mercuric Ionic Liquids: [Cnmim][HgX3], Where n = 3, 4 and X = Cl, Br
• Authors of publication: Bert Mallick; Andreas Metlen; Mark Nieuwenhuyzen; Robin D. Rogers; Anja-Verena Mudring
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 193 - 200
• a: 10.2043 ± 0.001 Å
• b: 10.7332 ± 0.0013 Å
• c: 14.5796 ± 0.0016 Å
• α: 90°
• β: 122.472 ± 0.007°
• γ: 90°
• Cell volume: 1347.2 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0428
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 0.857
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No