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Information card for entry 1556285
Preview
| Coordinates | 1556285.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H14 Cl2 N2 O5 Pd S |
|---|---|
| Calculated formula | C14 H14 Cl2 N2 O5 Pd S |
| SMILES | c12cc(cc[n]1[Pd](Cl)(Cl)[n]1ccc(C(=O)O)cc21)C(=O)O.CS(=O)C |
| Title of publication | Conjugate addition of arylboronic acids to α,β-unsaturated carbonyl compounds in aqueous medium using Pd(ii) complexes with dihydroxy-2,2′-bipyridine ligands: homogeneous or heterogeneous nano-catalysis? |
| Authors of publication | Tomás-Mendivil, Eder; Díez, Josefina; Cadierno, Victorio |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2011 |
| Journal volume | 1 |
| Journal issue | 9 |
| Pages of publication | 1605 |
| a | 7.6738 ± 0.0003 Å |
| b | 10.4974 ± 0.0004 Å |
| c | 12.5545 ± 0.0004 Å |
| α | 112.689 ± 0.003° |
| β | 90.017 ± 0.003° |
| γ | 108.646 ± 0.003° |
| Cell volume | 875.2 ± 0.06 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0288 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.064 |
| Weighted residual factors for all reflections included in the refinement | 0.0662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244147 (current) | 2019-11-28 | cif/ Adding structures of 1556284, 1556285 via cif-deposit CGI script. |
1556285.cif |
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Users of the data should acknowledge the original authors of the
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