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Information card for entry 1546252
Preview
| Coordinates | 1546252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H30 F2 N P Pt |
|---|---|
| Calculated formula | C38 H30 F2 N P Pt |
| SMILES | [Pt]12([P](Cc3ccccc3)(Cc3ccccc3)Cc3ccccc3)[n]3c(c4c2cc(F)cc4)cccc3c2c1cc(F)cc2 |
| Title of publication | Reversible C-C bond formation at a triply cyclometallated platinum(IV) centre |
| Authors of publication | Shaw, Paul Anthony; Clarkson, Guy James; Rourke, Jonathan P. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2017 |
| a | 12.1213 ± 0.0008 Å |
| b | 12.1909 ± 0.0007 Å |
| c | 12.2729 ± 0.0008 Å |
| α | 68.816 ± 0.006° |
| β | 69.917 ± 0.006° |
| γ | 64.636 ± 0.006° |
| Cell volume | 1489.24 ± 0.19 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0303 |
| Residual factor for significantly intense reflections | 0.0294 |
| Weighted residual factors for significantly intense reflections | 0.0762 |
| Weighted residual factors for all reflections included in the refinement | 0.0772 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197543 (current) | 2017-06-06 | cif/ Adding structures of 1546251, 1546252, 1546253, 1546254, 1546255, 1546256, 1546257 via cif-deposit CGI script. |
1546252.cif |
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Users of the data should acknowledge the original authors of the
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