Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7103768
Preview
| Coordinates | 7103768.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H26 Cl2 N P Pd S |
|---|---|
| Calculated formula | C23 H26 Cl2 N P Pd S |
| SMILES | C12=C3C(CCCC3)=C(c3cccs3)[P]2(C2CCCCC2)[Pd]([n]2c1cccc2)(Cl)Cl |
| 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 | 10.332 ± 0.0002 Å |
| b | 17.137 ± 0.0005 Å |
| c | 13.11 ± 0.0004 Å |
| α | 90° |
| β | 106.695 ± 0.001° |
| γ | 90° |
| Cell volume | 2223.4 ± 0.1 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 | 0.0662 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1039 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| 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. |
7103768.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. |
7103768.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. |
7103768.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103768.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103768.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7103768.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. |
7103768.cif |
| 823 | 2009-09-25 | cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications. |
7103768.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.