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Information card for entry 7112050
Preview
| Coordinates | 7112050.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H42 B2 N4 P2 Pt |
|---|---|
| Calculated formula | C50 H42 B2 N4 P2 Pt |
| SMILES | B12N(c3c(N1C[P](c1ccccc1)(c1ccccc1)[Pt]12B2N(c4c(N2C[P]1(c1ccccc1)c1ccccc1)cccc4)c1ccccc1)cccc3)c1ccccc1 |
| Title of publication | A bidentate boryl ligand: syntheses of platinum and iridium complexes |
| Authors of publication | H. Schubert; W. Leis; H. A. Mayer; L. Wesemann |
| Journal of publication | Chem.Commun. |
| Year of publication | 2014 |
| Journal volume | 50 |
| Pages of publication | 2738 |
| a | 12.2156 ± 0.0004 Å |
| b | 12.5195 ± 0.0005 Å |
| c | 13.8368 ± 0.0005 Å |
| α | 90° |
| β | 104.242 ± 0.002° |
| γ | 90° |
| Cell volume | 2051.07 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/n 1 |
| Hall space group symbol | -P 2yac |
| Residual factor for all reflections | 0.0216 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0435 |
| Weighted residual factors for all reflections included in the refinement | 0.044 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| 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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