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Information card for entry 2241612
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| Coordinates | 2241612.cif |
|---|---|
| Structure factors | 2241612.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>trans</i>-Dichlorido[3-methyl-1-(4-vinylbenzyl)-1<i>H</i>-imidazol-3-ium-2-yl-κ<i>C</i>^2^](4-phenylpyridine-κ<i>N</i>)palladium(II) |
|---|---|
| Formula | C24 H23 Cl2 N3 Pd |
| Calculated formula | C24 H23 Cl2 N3 Pd |
| SMILES | [Pd](Cl)(Cl)([n]1ccc(c2ccccc2)cc1)=C1N(Cc2ccc(C=C)cc2)C=CN1C |
| Title of publication | Synthesis and crystal structure of <i>trans</i>-dichlorido[3-methyl-1-(4-vinylbenzyl)-1<i>H</i>-imidazol-3-ium-2-yl-κ<i>C</i>^2^](4-phenylpyridine-κ<i>N</i>)palladium(II) |
| Authors of publication | Majeed, Maitham H.; Wendt, Ola F. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 4 |
| Pages of publication | 534 - 537 |
| a | 7.8768 ± 0.0003 Å |
| b | 12.2939 ± 0.0005 Å |
| c | 12.612 ± 0.0004 Å |
| α | 95.692 ± 0.003° |
| β | 97.267 ± 0.003° |
| γ | 103.574 ± 0.003° |
| Cell volume | 1167.09 ± 0.08 Å3 |
| Cell temperature | 183.05 ± 0.1 K |
| Ambient diffraction temperature | 183.05 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0345 |
| Residual factor for significantly intense reflections | 0.0269 |
| Weighted residual factors for significantly intense reflections | 0.0629 |
| Weighted residual factors for all reflections included in the refinement | 0.0675 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181917 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/16. |
2241612.cif 2241612.hkl |
| 179285 | 2016-03-23 | cif/ hkl/ Adding structures of 2241612 via cif-deposit CGI script. |
2241612.cif 2241612.hkl |
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Users of the data should acknowledge the original authors of the
structural data.