Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7017708
Preview
| Coordinates | 7017708.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H36 Cl14 N2 Ni O4 P2 |
|---|---|
| Calculated formula | C36 H36 Cl14 N2 Ni O4 P2 |
| SMILES | C1P(c2ccccc2)(=[O][Ni]2([N]3=C1OCC3)([N]1=C(CP(c3ccccc3)(=[O]2)c2ccccc2)OCC1)(Cl)Cl)c1ccccc1.C(Cl)(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl |
| Title of publication | A phosphino-oxazoline ligand as a P,N-bridge in palladium/cobalt or P,N-chelate in nickel complexes: catalytic ethylene oligomerization. |
| Authors of publication | Zhang, Shuanming; Pattacini, Roberto; Jie, Suyun; Braunstein, Pierre |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 2 |
| Pages of publication | 379 - 386 |
| a | 10.2269 ± 0.0004 Å |
| b | 10.5261 ± 0.0004 Å |
| c | 13.0935 ± 0.0006 Å |
| α | 66.761 ± 0.002° |
| β | 69.761 ± 0.002° |
| γ | 80.429 ± 0.002° |
| Cell volume | 1214.46 ± 0.09 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0664 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1279 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179881 (current) | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/77. |
7017708.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017708.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017708.cif |
| 33396 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017705, 7017706, 7017707, 7017708 via cif-deposit CGI script. |
7017708.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.