Information card for entry 7118023

Structure parameters

• Common name: [BMPyr][HS] (5)
• Chemical name: N-butyl-N-methylpyrrolidinium hydrosulfide
• Formula: C9 H21 N S
• Calculated formula: C9 H21 N S
• 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: 15.6635 ± 0.0006 Å
• b: 15.6635 ± 0.0006 Å
• c: 8.9408 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2193.58 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 135
• Hermann-Mauguin space group symbol: P 42/m b c
• Hall space group symbol: -P 4c 2ab
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No