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Information card for entry 7246173
Preview
| Coordinates | 7246173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H22 B N4 P |
|---|---|
| Calculated formula | C29 H22 B N4 P |
| SMILES | [P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccccc1.N#C[B](C#N)(C#N)C#N |
| Title of publication | Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications. |
| Authors of publication | Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2023 |
| Journal volume | 25 |
| Journal issue | 6 |
| Pages of publication | 5037 - 5048 |
| a | 8.9003 ± 0.0001 Å |
| b | 11.636 ± 0.0002 Å |
| c | 13.5576 ± 0.0002 Å |
| α | 111.524 ± 0.001° |
| β | 90.565 ± 0.001° |
| γ | 100.936 ± 0.001° |
| Cell volume | 1277.58 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0377 |
| Residual factor for significantly intense reflections | 0.0362 |
| Weighted residual factors for significantly intense reflections | 0.0929 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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 |
|---|---|---|---|
| 283499 (current) | 2023-05-05 | cif/ Updating files of 7246167, 7246168, 7246169, 7246170, 7246171, 7246172, 7246173, 7246174, 7246175 Original log message: Adding full bibliography for 7246167--7246175.cif. |
7246173.cif |
| 280454 | 2023-01-20 | cif/ Adding structures of 7246167, 7246168, 7246169, 7246170, 7246171, 7246172, 7246173, 7246174, 7246175 via cif-deposit CGI script. |
7246173.cif |
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Users of the data should acknowledge the original authors of the
structural data.