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Information card for entry 7010317
Preview
| Coordinates | 7010317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H16 Cl2 N P Pd S |
|---|---|
| Calculated formula | C15 H16 Cl2 N P Pd S |
| SMILES | [Pd]1(Cl)(Cl)[S]=C(N(C)C)[P]1(c1ccccc1)c1ccccc1 |
| Title of publication | Coordination chemistry, reactivities, and stereoelectronic properties of chelating phosphine ligands containing thioamide substituents |
| Authors of publication | Leung, Pak-Hing; Qin, Ying; He, Guosen; Mok, K. F.; Vittal, Jagadese J. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 3 |
| Pages of publication | 309 |
| a | 10.1583 ± 0.0002 Å |
| b | 12.3121 ± 0.0002 Å |
| c | 14.4431 ± 0.0002 Å |
| α | 90° |
| β | 98.122 ± 0.001° |
| γ | 90° |
| Cell volume | 1788.28 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0433 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0618 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.019 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179807 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/03. |
7010317.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7010317.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010317.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010317.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010317.cif |
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