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Information card for entry 2241064
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| Coordinates | 2241064.cif |
|---|---|
| Structure factors | 2241064.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(3-bromomesityl)(quinolin-1-ium-8-yl)boron(III) tribromide |
|---|---|
| Formula | C27 H26.82 B Br5.18 N |
| Calculated formula | C27 H26.825 B Br5.175 N |
| Title of publication | Crystal structure of bis(3-bromomesityl)(quinolin-1-ium-8-yl)boron(III) tribromide |
| Authors of publication | Son, Jungho; Tamang, Sem Raj; Hoefelmeyer, James D. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 9 |
| Pages of publication | 1114 - 1116 |
| a | 8.8469 ± 0.001 Å |
| b | 11.2365 ± 0.0013 Å |
| c | 14.7528 ± 0.0018 Å |
| α | 79.6 ± 0.002° |
| β | 85.158 ± 0.002° |
| γ | 87.994 ± 0.002° |
| Cell volume | 1437 ± 0.3 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 | 0.1194 |
| Residual factor for significantly intense reflections | 0.0702 |
| Weighted residual factors for significantly intense reflections | 0.1406 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181911 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/10. |
2241064.cif 2241064.hkl |
| 153801 | 2015-08-30 | cif/ hkl/ Adding structures of 2241064 via cif-deposit CGI script. |
2241064.cif 2241064.hkl |
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Users of the data should acknowledge the original authors of the
structural data.