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Information card for entry 7112173
Preview
| Coordinates | 7112173.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H36 B Br Hg N2 |
|---|---|
| Calculated formula | C26 H36 B Br Hg N2 |
| SMILES | [Hg](Br)B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C |
| Title of publication | Heavy metal boryl chemistry: complexes of cadmium, mercury and lead |
| Authors of publication | Andrey V. Protchenko; Deepak Dange; Andrew D. Schwarz; Christina Y. Tang; Nicholas Phillips; Philip Mountford; Cameron Jones; Simon Aldridge |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 3841 |
| a | 9.5303 ± 0.0001 Å |
| b | 10.6414 ± 0.0001 Å |
| c | 14.1133 ± 0.0001 Å |
| α | 76.0209 ± 0.0004° |
| β | 89.6737 ± 0.0004° |
| γ | 77.503 ± 0.0005° |
| Cell volume | 1354.37 ± 0.02 Å3 |
| Cell temperature | 230 K |
| Ambient diffraction temperature | 230 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0305 |
| Residual factor for significantly intense reflections | 0.0286 |
| Weighted residual factors for all reflections | 0.0726 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Weighted residual factors for all reflections included in the refinement | 0.0726 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9763 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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