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Information card for entry 7009952
Preview
| Coordinates | 7009952.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H22 F3 N2 O3 P Pd S |
|---|---|
| Calculated formula | C20 H22 F3 N2 O3 P Pd S |
| SMILES | [Pd]1([n]2c(c3[n]1cccc3)cccc2)(C)[P](c1ccccc1)(C)C.S(=O)(=O)([O-])C(F)(F)F |
| Title of publication | Trimethyl-palladium(IV) and -platinum(IV) complexes containing phosphine donor ligands, including studies of 1,5,9-triethyl-1,5,9-triphosphacyclodecane and X-ray structural studies of palladium(II) and palladium(IV) complexes † |
| Authors of publication | Bayler, Angela; Canty, Allan J.; Edwards, Peter G.; Skelton, Brian W.; White, Allan H. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2000 |
| Journal issue | 19 |
| Pages of publication | 3325 |
| a | 9.6042 ± 0.0009 Å |
| b | 11.5323 ± 0.001 Å |
| c | 20.241 ± 0.002 Å |
| α | 90° |
| β | 98.652 ± 0.001° |
| γ | 90° |
| Cell volume | 2216.4 ± 0.4 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 8 |
| 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 | 0.041 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for all reflections | 0.037 |
| Weighted residual factors for all reflections included in the refinement | 0.035 |
| Goodness-of-fit parameter for all reflections | 1.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7009952.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7009952.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7009952.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7009952.cif |
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Users of the data should acknowledge the original authors of the
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