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Information card for entry 7225831
Preview
| Coordinates | 7225831.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 1,3-dimethylimidazolium hydrotris(pyrazolyl)borate |
|---|---|
| Formula | C14 H19 B N8 |
| Calculated formula | C14 H19 B N8 |
| SMILES | n1(nccc1)[BH](n1nccc1)n1nccc1.n1(c[n+](cc1)C)C |
| Title of publication | Synthesis and Characterization of Imidazolium Poly(azolyl)borate Ionic Liquids and Their Potential Application in SO2 Absorption |
| Authors of publication | Zhang, Yun; Lu, Dongmei; Zhang, Junjie; Wu, Chao |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| a | 8.724 ± 0.0014 Å |
| b | 8.8303 ± 0.0015 Å |
| c | 12.503 ± 0.002 Å |
| α | 78.447 ± 0.002° |
| β | 74.927 ± 0.002° |
| γ | 60.694 ± 0.002° |
| Cell volume | 808 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0672 |
| Residual factor for significantly intense reflections | 0.0621 |
| Weighted residual factors for significantly intense reflections | 0.1977 |
| Weighted residual factors for all reflections included in the refinement | 0.2037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 184259 (current) | 2016-07-06 | cif/ Adding structures of 7225831 via cif-deposit CGI script. |
7225831.cif |
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