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Information card for entry 7129405
Preview
| Coordinates | 7129405.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C2 H B F3 K |
|---|---|
| Calculated formula | C2 H B F3 K |
| Title of publication | Ethyl-, vinyl- and ethynylcyanoborates: Room temperature borate ionic liquids with saturated and unsaturated hydrocarbon chains |
| Authors of publication | Schopper, Nils; Zapf, Ludwig; Sprenger, Jan Arke Peter; Ignat'ev, Nikolai; Finze, Maik |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 6.9337 ± 0.0001 Å |
| b | 7.0937 ± 0.0002 Å |
| c | 18.3067 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 900.43 ± 0.04 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0277 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for significantly intense reflections | 0.0687 |
| Weighted residual factors for all reflections included in the refinement | 0.07 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 271505 (current) | 2021-12-18 | cif/ Adding structures of 7129405, 7129406, 7129407, 7129408, 7129409, 7129410 via cif-deposit CGI script. |
7129405.cif |
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Users of the data should acknowledge the original authors of the
structural data.