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Information card for entry 4072376
Preview
| Coordinates | 4072376.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H42 Cl P Pd |
|---|---|
| Calculated formula | C27 H42 Cl P Pd |
| SMILES | [Pd]12(Cl)([P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)C[CH]1=[CH]2c1ccccc1 |
| Title of publication | Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity |
| Authors of publication | Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 24 |
| Pages of publication | 6507 |
| a | 8.186 ± 0.0016 Å |
| b | 10.01 ± 0.002 Å |
| c | 17.12 ± 0.003 Å |
| α | 79.21 ± 0.03° |
| β | 86.43 ± 0.03° |
| γ | 67.5 ± 0.03° |
| Cell volume | 1273.1 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0261 |
| Weighted residual factors for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178612 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/23. |
4072376.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072376.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072376.cif |
| 44382 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072376 via cif-deposit CGI script. |
4072376.cif |
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Users of the data should acknowledge the original authors of the
structural data.