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Information card for entry 2238603
Preview
| Coordinates | 2238603.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | {2-[1-(2-Methoxy-6-oxidophenyl-κ<i>O</i>^6^)ethylidene]-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) ethanol monosolvate |
|---|---|
| Formula | C31 H34 N3 O3 P Pd S |
| Calculated formula | C31 H34 N3 O3 P Pd S |
| SMILES | [Pd]12(Oc3c(C(=[N]2N=C(S1)NC)C)c(OC)ccc3)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OCC |
| Title of publication | {2-[1-(2-Methoxy-6-oxidophenyl-κ<i>O</i>^6^)ethylidene]-<i>N</i>-methylhydrazinecarbothioamidato-κ^2^<i>N</i>^2^,<i>S</i>}(triphenylphosphane-κ<i>P</i>)palladium(II) ethanol monosolvate |
| Authors of publication | Anderson, Brian J.; O'Rourke, Kelly A.; Keeler, Alexander M.; Jasinski, Jerry P. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 10 |
| Pages of publication | m528 - m529 |
| a | 8.0294 ± 0.0006 Å |
| b | 12.0187 ± 0.0006 Å |
| c | 16.2151 ± 0.0008 Å |
| α | 105.764 ± 0.004° |
| β | 100.835 ± 0.005° |
| γ | 94.965 ± 0.005° |
| Cell volume | 1463.34 ± 0.16 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0595 |
| Residual factor for significantly intense reflections | 0.0488 |
| Weighted residual factors for significantly intense reflections | 0.1186 |
| Weighted residual factors for all reflections included in the refinement | 0.1281 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176798 (current) | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238603.cif |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2238603.cif |
| 89537 | 2013-11-06 | cif/ Adding structures of 2238603 via cif-deposit CGI script. |
2238603.cif |
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