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Information card for entry 7007717
Preview
| Coordinates | 7007717.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H27 Cl2 P Pd S |
|---|---|
| Calculated formula | C27 H27 Cl2 P Pd S |
| Title of publication | Synthesis and characterisation of benzyl phosphino-thioether and -thiolato Pd(II) complexes and their applications in Suzuki coupling reactions. |
| Authors of publication | Dervisi, Athanasia; Koursarou, Despina; Ooi, Li-Ling; Horton, Peter N.; Hursthouse, Michael B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 48 |
| Pages of publication | 5717 - 5724 |
| a | 9.9134 ± 0.0003 Å |
| b | 11.6302 ± 0.0005 Å |
| c | 11.7817 ± 0.0004 Å |
| α | 102.154 ± 0.002° |
| β | 99.477 ± 0.002° |
| γ | 103.735 ± 0.002° |
| Cell volume | 1256.57 ± 0.08 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0437 |
| Residual factor for significantly intense reflections | 0.0341 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179781 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/77. |
7007717.cif |
| 171494 | 2015-12-14 | cod/ (antanas@echidna.ibt.lt) Removing publication details from _chemical_name_systematic and _chemical_name_common tag values in multiple entries. |
7007717.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7007717.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7007717.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7007717.cif |
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Users of the data should acknowledge the original authors of the
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