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Information card for entry 1556551
Preview
| Coordinates | 1556551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C41 H39 I Ni P3 |
|---|---|
| Calculated formula | C41 H39 I Ni P3 |
| SMILES | I[Ni]12[P](CC(C[P]2(c2ccccc2)c2ccccc2)(C[P]1(c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1 |
| Title of publication | Mechanistic Implications for the Ni(I)-Catalyzed Kumada Cross-Coupling Reaction |
| Authors of publication | Iffland, L.; Petuker, A.; Van Gastel, M.; Apfel, U.-P. |
| Journal of publication | Inorganics |
| Year of publication | 2017 |
| Journal volume | 5 |
| Pages of publication | 78 |
| a | 20.526 ± 0.0016 Å |
| b | 10.367 ± 0.0006 Å |
| c | 17.0858 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3635.7 ± 0.4 Å3 |
| Cell temperature | 170 K |
| Ambient diffraction temperature | 170 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.2132 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.1646 |
| Weighted residual factors for all reflections included in the refinement | 0.2167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245050 (current) | 2019-12-13 | cif/ Adding structures of 1556551 via cif-deposit CGI script. |
1556551.cif |
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Users of the data should acknowledge the original authors of the
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