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Information card for entry 2022870
Preview
| Coordinates | 2022870.cif |
|---|---|
| Structure factors | 2022870.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>trans</i>-Bis{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-ylidene]hydrazinecarbothioamidato-κ^2^<i>N</i>^1^,<i>S</i>}palladium(II) |
|---|---|
| Formula | C32 H28 N6 Pd S2 |
| Calculated formula | C32 H28 N6 Pd S2 |
| SMILES | C(/C=C/c1ccccc1)=[N]1[Pd]2([N](=C/C=C/c3ccccc3)N=C(Nc3ccccc3)S2)SC(=N1)Nc1ccccc1 |
| Title of publication | Synthesis, crystal structure and Hirshfeld analysis of <i>trans</i>-bis-{(2<i>E</i>)-<i>N</i>-phenyl-2-[(2<i>E</i>)-3-phenyl-2-propen-1-yl-idene]hydrazinecarbo-thio-amidato-κ<sup>2</sup><i>N</i><sup>1</sup>,<i>S</i>}palladium(II). |
| Authors of publication | de Melo, Ana Paula Lopes; Martins, Bianca Barreto; Bresolin, Leandro; Tirloni, Bárbara; de Oliveira, Adriano Bof |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 993 - 998 |
| a | 15.084 ± 0.005 Å |
| b | 11.418 ± 0.004 Å |
| c | 17.097 ± 0.006 Å |
| α | 90° |
| β | 91.097 ± 0.009° |
| γ | 90° |
| Cell volume | 2944.1 ± 1.8 Å3 |
| Cell temperature | 299 ± 2 K |
| Ambient diffraction temperature | 299 ± 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 | 0.036 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0582 |
| Weighted residual factors for all reflections included in the refinement | 0.0628 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288133 (current) | 2023-12-07 | cif/ Updating files of 2022870 Original log message: Adding full bibliography for 2022870.cif. |
2022870.cif 2022870.hkl |
| 286818 | 2023-10-06 | cif/ hkl/ Adding structures of 2022870 via cif-deposit CGI script. |
2022870.cif 2022870.hkl |
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