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Information card for entry 7034340
Preview
| Coordinates | 7034340.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H28 Cl3 N3 O3 Pd |
|---|---|
| Calculated formula | C25 H28 Cl3 N3 O3 Pd |
| SMILES | [Pd]12(Nc3c(c4[n]2c(C(=[N]1c1ccc(cc1)C(C)C)C)ccc4)cccc3)OC(=O)C.C(Cl)(Cl)Cl.O |
| Title of publication | Organo-palladium(ii) complexes bearing unsymmetrical N,N,N-pincer ligands: synthesis, structures and oxidatively induced coupling reactions. |
| Authors of publication | Wright, Luka A.; Hope, Eric G.; Solan, Gregory A.; Cross, Warren B.; Singh, Kuldip |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 16 |
| Pages of publication | 7230 - 7241 |
| a | 6.977 ± 0.0016 Å |
| b | 12.184 ± 0.003 Å |
| c | 15.543 ± 0.004 Å |
| α | 87.923 ± 0.004° |
| β | 84.029 ± 0.005° |
| γ | 84.203 ± 0.005° |
| Cell volume | 1306.9 ± 0.6 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1235 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1232 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.861 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7034340.cif |
| 180049 | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/43. |
7034340.cif |
| 138646 | 2015-06-07 | cif/ Updating files of 7034340, 7034341, 7034342, 7034343, 7034344, 7034345, 7034346, 7034347 Original log message: Adding full bibliography for 7034340--7034347.cif. |
7034340.cif |
| 133752 | 2015-03-10 | cif/ Adding structures of 7034340, 7034341, 7034342, 7034343, 7034344, 7034345, 7034346, 7034347 via cif-deposit CGI script. |
7034340.cif |
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Users of the data should acknowledge the original authors of the
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