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Information card for entry 4075675
Preview
| Coordinates | 4075675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C58 H88 I2 P4 Pt2 |
|---|---|
| Calculated formula | C58 I2 P4 Pt2 |
| SMILES | [Pt](I)([P](CC)(CC)CC)([P](CC)(CC)CC)C#Cc1cc(ccc1C#Cc1ccccc1C#Cc1ccc(cc1C#C[Pt](I)([P](CC)(CC)CC)[P](CC)(CC)CC)C(C)(C)C)C(C)(C)C |
| Title of publication | Selective Metallacyclization and Crystallographic Characterization of Structurally Related Platina-annulenes |
| Authors of publication | Johnson, Charles A.; Haley, Michael M.; Rather, Elisabeth; Han, Fusen; Weakley, Timothy J. R. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 6 |
| Pages of publication | 1161 |
| a | 43.088 ± 0.006 Å |
| b | 9.179 ± 0.003 Å |
| c | 33.478 ± 0.004 Å |
| α | 90° |
| β | 94.949 ± 0.011° |
| γ | 90° |
| Cell volume | 13191 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1571 |
| Residual factor for significantly intense reflections | 0.0686 |
| Weighted residual factors for significantly intense reflections | 0.1896 |
| Weighted residual factors for all reflections included in the refinement | 0.2199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
| Diffraction radiation wavelength | 0.7107 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
structural data.