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Information card for entry 7034820
Preview
| Coordinates | 7034820.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H12 Br2 N8 Pd |
|---|---|
| Calculated formula | C15 H12 Br2 N8 Pd |
| SMILES | [Pd]1(Br)(=C2N(C(=C(N2CCCN2C=1N(C(=C2C#N)C#N)C)C#N)C#N)C)Br |
| 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 | 23.913 ± 0.0003 Å |
| b | 23.913 ± 0.0003 Å |
| c | 13.699 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7833.5 ± 1.7 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 110 |
| Hermann-Mauguin space group symbol | I 41 c d |
| Hall space group symbol | I 4bw -2c |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.0736 |
| Weighted residual factors for all reflections included in the refinement | 0.0764 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 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. |
7034820.cif |
| 138660 | 2015-06-07 | cif/ Updating files of 7034817, 7034818, 7034819, 7034820 Original log message: Adding full bibliography for 7034817--7034820.cif. |
7034820.cif |
| 135860 | 2015-05-09 | cif/ Adding structures of 7034817, 7034818, 7034819, 7034820 via cif-deposit CGI script. |
7034820.cif |
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Users of the data should acknowledge the original authors of the
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