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Information card for entry 4074220
Preview
| Coordinates | 4074220.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H33 Cl2 N3 O10 Pd S |
|---|---|
| Calculated formula | C33 H33 Cl2 N3 O10 Pd S |
| SMILES | [Pd]12([n]3cccc4cccc(N(S(=O)(=O)c5ccc(cc5)C)Cc5[n]1cccc5)c34)[C](=[C]2(C(=O)OC)C(=O)OC)(C(=O)OC)C(=O)OC.ClCCl |
| Title of publication | Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study |
| Authors of publication | Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 22 |
| Pages of publication | 5355 |
| a | 10.856 ± 0.002 Å |
| b | 20.63 ± 0.004 Å |
| c | 16.833 ± 0.003 Å |
| α | 90° |
| β | 105.58 ± 0.03° |
| γ | 90° |
| Cell volume | 3631.4 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0522 |
| Residual factor for significantly intense reflections | 0.0503 |
| Weighted residual factors for significantly intense reflections | 0.1251 |
| Weighted residual factors for all reflections included in the refinement | 0.1271 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.216 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178631 (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 4/07/42. |
4074220.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4074220.cif |
| 48258 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4074220, 4074221, 4074222, 4074223 via cif-deposit CGI script. |
4074220.cif |
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Users of the data should acknowledge the original authors of the
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