Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005919
Preview
| Coordinates | 7005919.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H40 Cl4 Co2 N2 O4 P2 |
|---|---|
| Calculated formula | C36 H40 Cl4 Co2 N2 O4 P2 |
| SMILES | C12=[N](C(CO1)(C)C)[Co](Cl)([O]=P(CC1=[N](C(CO1)(C)C)[Co]([O]=P(C2)(c1ccccc1)c1ccccc1)(Cl)Cl)(c1ccccc1)c1ccccc1)Cl |
| Title of publication | Mono- and dinuclear cobalt complexes with chelating or bridging bidentate P,N phosphino- and phosphinito-oxazoline ligands: synthesis, structures and catalytic ethylene oligomerisation. |
| Authors of publication | Jie, Suyun; Agostinho, Magno; Kermagoret, Anthony; Cazin, Catherine S. J.; Braunstein, Pierre |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 39 |
| Pages of publication | 4472 - 4482 |
| a | 8.615 ± 0.001 Å |
| b | 18.264 ± 0.003 Å |
| c | 12.58 ± 0.002 Å |
| α | 90° |
| β | 104.325 ± 0.005° |
| γ | 90° |
| Cell volume | 1917.8 ± 0.5 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1192 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.1594 |
| Weighted residual factors for all reflections included in the refinement | 0.1785 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179763 (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 7/00/59. |
7005919.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7005919.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7005919.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7005919.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.