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Information card for entry 4087621
Preview
| Coordinates | 4087621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H47 P3 Pd |
|---|---|
| Calculated formula | C28 H47 P3 Pd |
| SMILES | [Pd]1([P](c2c(Cc3c([P]1(C(C)C)C(C)C)cccc3)cccc2)(C(C)C)C(C)C)[P](C)(C)C |
| Title of publication | C‒H Activation Reactions of a Nucleophilic Palladium Carbene |
| Authors of publication | Comanescu, Cezar C.; Iluc, Vlad M. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 19 |
| Pages of publication | 4684 |
| a | 15.787 ± 0.002 Å |
| b | 19.844 ± 0.002 Å |
| c | 18.551 ± 0.002 Å |
| α | 90° |
| β | 94.406 ± 0.003° |
| γ | 90° |
| Cell volume | 5794.4 ± 1.1 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for significantly intense reflections | 0.0532 |
| Weighted residual factors for all reflections included in the refinement | 0.0568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236883 (current) | 2019-11-24 | cif/ Adding structures of 4087617, 4087618, 4087619, 4087620, 4087621, 4087622 via cif-deposit CGI script. |
4087621.cif |
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Users of the data should acknowledge the original authors of the
structural data.