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Information card for entry 4131307
Preview
| Coordinates | 4131307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H24 N2 Pt |
|---|---|
| Calculated formula | C42 H24 N2 Pt |
| SMILES | [Pt]12([n]3c(C#Cc4c(C#Cc5c1cccc5)cccc4)cccc3)[n]1c(C#Cc3c(C#Cc4c2cccc4)cccc3)cccc1 |
| Title of publication | Chiral-at-Metal Phosphorescent Square-Planar Pt(II)-Complexes from an Achiral Organometallic Ligand. |
| Authors of publication | Schulte, Thorben R.; Holstein, Julian J.; Krause, Lennard; Michel, Reent; Stalke, Dietmar; Sakuda, Eri; Umakoshi, Keisuke; Longhi, Giovanna; Abbate, Sergio; Clever, Guido H. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 20 |
| Pages of publication | 6863 - 6866 |
| a | 17.492 ± 0.003 Å |
| b | 9.249 ± 0.002 Å |
| c | 18.881 ± 0.002 Å |
| α | 90° |
| β | 97.13 ± 0.02° |
| γ | 90° |
| Cell volume | 3031 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0204 |
| Residual factor for significantly intense reflections | 0.0176 |
| Weighted residual factors for significantly intense reflections | 0.043 |
| Weighted residual factors for all reflections included in the refinement | 0.0441 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 241540 (current) | 2019-11-25 | cif/ Adding structures of 4131307 via cif-deposit CGI script. |
4131307.cif |
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Users of the data should acknowledge the original authors of the
structural data.