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Information card for entry 7034817
Preview
| Coordinates | 7034817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9.66667 H9 Br2 Cl4 N4.33333 Pd |
|---|---|
| Calculated formula | C9.66667 H9 Br2 Cl4 N4.33333 Pd |
| SMILES | [Pd]1(Br)(Br)=C2N(CN3C(Cl)=C(Cl)N(C)C=13)C(Cl)=C(Cl)N2C.CC#N |
| Title of publication | Palladium(ii) complexes with electron-poor, 4,5-disubstituted diimidazol-2-ylidene ligands: synthesis, characterization and catalytic activity. |
| Authors of publication | Pinter, Piermaria; Biffis, Andrea; Tubaro, Cristina; Tenne, Mario; Kaliner, Maria; Strassner, Thomas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 20 |
| Pages of publication | 9391 - 9399 |
| a | 19.767 ± 0.005 Å |
| b | 15.478 ± 0.01 Å |
| c | 34.001 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10403 ± 8 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0849 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1297 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| 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. |
7034817.cif |
| 182989 | 2016-05-17 | Fixing some Z values and formulae |
7034817.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. |
7034817.cif |
| 138660 | 2015-06-07 | cif/ Updating files of 7034817, 7034818, 7034819, 7034820 Original log message: Adding full bibliography for 7034817--7034820.cif. |
7034817.cif |
| 135860 | 2015-05-09 | cif/ Adding structures of 7034817, 7034818, 7034819, 7034820 via cif-deposit CGI script. |
7034817.cif |
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