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Information card for entry 2011426
Preview
| Coordinates | 2011426.cif |
|---|---|
| Structure factors | 2011426.hkl |
| Original IUCr paper | HTML |
| Formula | C7 H9 Br4 N Ti |
|---|---|
| Calculated formula | C7 H9 Br4 N Ti |
| SMILES | c1cc([n]([Ti](Br)(Br)(Br)Br)c(c1)C)C |
| Title of publication | Tetrabromo(2,6-dimethylpyridine-<i>N</i>)titanium(IV), a twinned crystal structure |
| Authors of publication | Hensen, Karl; Lemke, Alexander; Bolte, Michael |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | 1196 - 1197 |
| a | 11.6811 ± 0.0002 Å |
| b | 9.8679 ± 0.0002 Å |
| c | 11.13 ± 0.0002 Å |
| α | 90° |
| β | 93.482 ± 0.001° |
| γ | 90° |
| Cell volume | 1280.56 ± 0.04 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.04 |
| Residual factor for significantly intense reflections | 0.034 |
| Weighted residual factors for all reflections included in the refinement | 0.068 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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Users of the data should acknowledge the original authors of the
structural data.