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Information card for entry 2241852
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| Coordinates | 2241852.cif |
|---|---|
| Structure factors | 2241852.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-Chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate |
|---|---|
| Formula | C59 H50 B Cl F24 N2 |
| Calculated formula | C59 H50 B Cl F23.9982 N2 |
| Title of publication | Crystal structure of 2-chloro-1,3-(2,6-diisopropylphenyl)-4,5-dihydro-1<i>H</i>-imidazol-3-ium tetrakis(3,5-trifluoromethylphenyl)borate |
| Authors of publication | Stack, Darcie L.; Masuda, Jason D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 10 |
| Pages of publication | 1471 - 1474 |
| a | 18.5025 ± 0.0012 Å |
| b | 17.8739 ± 0.0012 Å |
| c | 19.7857 ± 0.0013 Å |
| α | 90° |
| β | 116.428 ± 0.001° |
| γ | 90° |
| Cell volume | 5859.5 ± 0.7 Å3 |
| Cell temperature | 125 ± 2 K |
| Ambient diffraction temperature | 125 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0628 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.1025 |
| Weighted residual factors for all reflections included in the refinement | 0.1133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 186749 (current) | 2016-09-24 | cif/ hkl/ Adding structures of 2241852 via cif-deposit CGI script. |
2241852.cif 2241852.hkl |
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Users of the data should acknowledge the original authors of the
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