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Information card for entry 7103771
Preview
| Coordinates | 7103771.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 Cl2 N P Pd |
|---|---|
| Calculated formula | C25 H22 Cl2 N P Pd |
| SMILES | c1ccccc1C1=C2C(=CCCC2)C2[P]1([Pd](Cl)(Cl)[n]1c2cccc1)c1ccccc1 |
| Title of publication | Stereospecific isomerisation of P-heterocycles triggered by coordination: synthesis of the first P,N-chelates featuring a 2-phospholene moiety |
| Authors of publication | Leca, François; Sauthier, Mathieu; Le Guennic, Boris; Lescop, Christophe; Toupet, Loic; Halet, Jean-François; Réau, Régis |
| Journal of publication | Chemical Communications (Cambridge, United Kingdom) |
| Year of publication | 2003 |
| Pages of publication | 1774 - 1775 |
| a | 21.587 ± 0.005 Å |
| b | 8.979 ± 0.005 Å |
| c | 26.183 ± 0.005 Å |
| α | 90° |
| β | 104.844 ± 0.005° |
| γ | 90° |
| Cell volume | 4906 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.1919 |
| Residual factor for significantly intense reflections | 0.1582 |
| Weighted residual factors for significantly intense reflections | 0.4315 |
| Weighted residual factors for all reflections included in the refinement | 0.4475 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.697 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213973 (current) | 2019-03-05 | cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries. |
7103771.cif |
| 208973 | 2018-07-11 | cif/7/10/ Updating bibliography in entries 7101110, 7101111, 7101124, 7101128, 7101175, 7101252, 7101253, 7101279, 7101280, 7101298, 7101454, 7101455, 7101505, 7101589, 7102643, 7103768, 7103769, 7103770, 7103771, 7103772, 7104075, 7104076, 7105630. |
7103771.cif |
| 206958 | 2018-03-15 | Fixing many Z values and formulae detected when treating files that initially displayed Z' < 1 |
7103771.cif |
| 180140 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/37. |
7103771.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103771.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103771.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7103771.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103771.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103771.cif |
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Users of the data should acknowledge the original authors of the
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