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Information card for entry 4071556
Preview
| Coordinates | 4071556.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cl2 N4 Pd |
|---|---|
| Calculated formula | C18 H20 Cl2 N4 Pd |
| SMILES | C1(NCC[N]=1[Pd]([N]1=C(c2ccccc2)NCC1)(Cl)Cl)c1ccccc1 |
| Title of publication | 2-Phenylimidazole−PdCl2and 2-Phenylimidazoline−PdCl2Complexes: Single-Crystal and Powder X-ray Diffractometry,1H NMR Spectra, and Comparison of Catalytic Activities in Coupling Reactions† |
| Authors of publication | Kawamura, Kenjiro; Haneda, Satoshi; Gan, Zhibin; Eda, Kazuo; Hayashi, Masahiko |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3748 |
| a | 7.745 ± 0.003 Å |
| b | 12.647 ± 0.004 Å |
| c | 11.215 ± 0.003 Å |
| α | 90° |
| β | 120.353 ± 0.017° |
| γ | 90° |
| Cell volume | 947.9 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0301 |
| Residual factor for significantly intense reflections | 0.0254 |
| Weighted residual factors for significantly intense reflections | 0.069 |
| Weighted residual factors for all reflections included in the refinement | 0.0723 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178604 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/15. |
4071556.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071556.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071556.cif |
| 43916 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071556 via cif-deposit CGI script. |
4071556.cif |
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Users of the data should acknowledge the original authors of the
structural data.