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Information card for entry 4071625
Preview
| Coordinates | 4071625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H21 Cl N P Pd S2 |
|---|---|
| Calculated formula | C26 H21 Cl N P Pd S2 |
| SMILES | [Pd]12(c3c(C(=[S]1)NCc1ccccc1)cccc3P(=[S]2)(c1ccccc1)c1ccccc1)Cl |
| Title of publication | Cyclopalladated Complexes of 3-Thiophosphorylbenzoic Acid Thioamides: Hybrid Pincer Ligands of a New Type. Synthesis, Catalytic Activity, and Photophysical Properties |
| Authors of publication | Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Puntus, L. N.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 16 |
| Pages of publication | 4062 |
| a | 12.7414 ± 0.0002 Å |
| b | 12.7768 ± 0.0002 Å |
| c | 15.1936 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2473.43 ± 0.06 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0281 |
| Residual factor for significantly intense reflections | 0.0219 |
| Weighted residual factors for significantly intense reflections | 0.0527 |
| Weighted residual factors for all reflections included in the refinement | 0.0611 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071625.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071625.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071625.cif |
| 43952 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071625 via cif-deposit CGI script. |
4071625.cif |
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Users of the data should acknowledge the original authors of the
structural data.