Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4072096
Preview
| Coordinates | 4072096.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H47 Cl N2 Ni P2 |
|---|---|
| Calculated formula | C52 H47 Cl N2 Ni P2 |
| SMILES | [Ni]12(Cl)N(c3c(P(=[N]1c1ccc(cc1)C)(c1ccccc1)c1ccccc1)cccc3)C(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1.c1(ccccc1)C |
| Title of publication | Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling |
| Authors of publication | Sun, Kai; Wang, Li; Wang, Zhong-Xia |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 21 |
| Pages of publication | 5649 |
| a | 15.2015 ± 0.0015 Å |
| b | 18.635 ± 0.002 Å |
| c | 16.855 ± 0.002 Å |
| α | 90° |
| β | 113.301 ± 0.002° |
| γ | 90° |
| Cell volume | 4385.3 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1387 |
| Residual factor for significantly intense reflections | 0.0673 |
| Weighted residual factors for significantly intense reflections | 0.1177 |
| Weighted residual factors for all reflections included in the refinement | 0.143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178609 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/20. |
4072096.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4072096.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4072096.cif |
| 44233 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4072096 via cif-deposit CGI script. |
4072096.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.