Information card for entry 7118022

Structure parameters

• Common name: [EMIm][HS], 1
• Chemical name: 1-Ethyl-2-methylimidazolium-hydrosulfide
• Formula: C6 H12 N2 S
• Calculated formula: C6 H12 N2 S
• SMILES: c1n(cc[n+]1C)CC.[SH-]
• Title of publication: Access to pure and highly volatile hydrochalcogenide ionic liquids
• Authors of publication: L. H. Finger; F. Wohde; E. I. Grigoryev; A.-K. Hansmann; R. Berger; B. Roling; J. Sundermeyer
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 16169
• a: 8.6023 ± 0.0003 Å
• b: 7.671 ± 0.0002 Å
• c: 12.76 ± 0.0004 Å
• α: 90°
• β: 107.862 ± 0.001°
• γ: 90°
• Cell volume: 801.42 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No