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Information card for entry 2238643
Preview
| Coordinates | 2238643.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Dibromidobis(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium |
|---|---|
| Formula | C16 H16 Br2 Cd N4 |
| Calculated formula | C16 H16 Br2 Cd N4 |
| SMILES | [n]1(c2c([nH]c1C)cccc2)[Cd]([n]1c2ccccc2[nH]c1C)(Br)Br |
| Title of publication | Dibromidobis(2-methyl-1<i>H</i>-benzimidazole-κ<i>N</i>^3^)cadmium |
| Authors of publication | Liu, Bao-Cheng; Jin, Yan-Ling; Liu, Fa-Qian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 10 |
| Pages of publication | m536 |
| a | 10.007 ± 0.009 Å |
| b | 14.747 ± 0.012 Å |
| c | 12.399 ± 0.011 Å |
| α | 90° |
| β | 93.088 ± 0.014° |
| γ | 90° |
| Cell volume | 1827 ± 3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0494 |
| Residual factor for significantly intense reflections | 0.0328 |
| Weighted residual factors for significantly intense reflections | 0.0729 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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