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Information card for entry 4075731
Preview
| Coordinates | 4075731.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C39 H42 F3 O4 Rh S |
|---|---|
| Calculated formula | C39 H42 F3 O4 Rh S |
| SMILES | [Rh]12345678([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([cH]5[c]6([c]7([cH]81)C(OCCCC)c1ccccc1)c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Preparation of Novel Rhodonocenium Complexes via [2 + 2 + 1] Cyclotrimerization of Terminal Aryl Alkynes |
| Authors of publication | Han, Won Seok; Lee, Soon W. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 5 |
| Pages of publication | 997 |
| a | 13.277 ± 0.002 Å |
| b | 20.202 ± 0.004 Å |
| c | 15.13 ± 0.004 Å |
| α | 90° |
| β | 113.195 ± 0.017° |
| γ | 90° |
| Cell volume | 3730.2 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.2435 |
| Residual factor for significantly intense reflections | 0.1087 |
| Weighted residual factors for significantly intense reflections | 0.2514 |
| Weighted residual factors for all reflections included in the refinement | 0.3383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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
structural data.