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Information card for entry 7221007
Preview
| Coordinates | 7221007.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | pdohfhb |
|---|---|
| Chemical name | pdohfhb |
| Formula | C34 H25 N2 O3 P Pd |
| Calculated formula | C34 H25 N2 O3 P Pd |
| SMILES | c12ccc3ccccc3c1C=[N]1N=C(c3ccco3)O[Pd]1(O2)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Palladium(II) complexes containing ONO tridentate hydrazone for Suzuki- Miyaura coupling of aryl chlorides in aqueous-organic media. |
| Authors of publication | Arumugam, Vignesh; Kaminsky, Werner; Bhuvanesh, Nattamai; Nallasamy, Dharmaraj |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| a | 15.5191 ± 0.0014 Å |
| b | 9.0388 ± 0.0008 Å |
| c | 19.9113 ± 0.0017 Å |
| α | 90° |
| β | 97.858 ± 0.003° |
| γ | 90° |
| Cell volume | 2766.8 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0705 |
| Weighted residual factors for all reflections included in the refinement | 0.0774 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7221007.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. |
7221007.cif |
| 139995 | 2015-07-04 | cif/ Adding structures of 7221006, 7221007, 7221008 via cif-deposit CGI script. |
7221007.cif |
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Users of the data should acknowledge the original authors of the
structural data.