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Information card for entry 7118023
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| Coordinates | 7118023.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 169963 (current) | 2015-11-03 | cif/ Adding structures of 7118022, 7118023 via cif-deposit CGI script. |
7118023.cif |
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Users of the data should acknowledge the original authors of the
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