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Information card for entry 7036009
Preview
| Coordinates | 7036009.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H40.5 Cl2 N2.5 O P Pd |
|---|---|
| Calculated formula | C23 H40.5 Cl2 N2.5 O P Pd |
| SMILES | [Pd]1(=C(N([P]1(C(C)(C)C)C(C)(C)C)c1ccc(OC)cc1)N(C(C)C)C(C)C)(Cl)Cl.N#CC |
| Title of publication | Palladium(ii) complexes with chelating N-phosphanyl acyclic diaminocarbenes: synthesis, characterization and catalytic performance in Suzuki couplings. |
| Authors of publication | Marchenko, Anatoliy; Koidan, Georgyi; Hurieva, Anastasiya; Vlasenko, Yurii; Kostyuk, Aleksandr; Biffis, Andrea |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 5 |
| Pages of publication | 1967 - 1975 |
| a | 15.5317 ± 0.0003 Å |
| b | 10.2561 ± 0.0002 Å |
| c | 33.1968 ± 0.0006 Å |
| α | 90° |
| β | 92.109 ± 0.001° |
| γ | 90° |
| Cell volume | 5284.49 ± 0.17 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.047 |
| Residual factor for significantly intense reflections | 0.0371 |
| Weighted residual factors for all reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.0395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0675 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182257 (current) | 2016-04-27 | cif/7 Fixing some files with wrong Z' |
7036009.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7036009.cif |
| 176084 | 2016-02-05 | cif/ Updating files of 7036005, 7036006, 7036007, 7036008, 7036009 Original log message: Adding full bibliography for 7036005--7036009.cif. |
7036009.cif |
| 152652 | 2015-07-31 | cif/ Adding structures of 7036005, 7036006, 7036007, 7036008, 7036009 via cif-deposit CGI script. |
7036009.cif |
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Users of the data should acknowledge the original authors of the
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