Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4071190
Preview
| Coordinates | 4071190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)-4- methylpentanamidato-k2N,O](n1-CH2Ph)(PMe3)nickel |
|---|---|
| Formula | C40 H59 N2 Ni O P |
| Calculated formula | C40 H59 N2 Ni O P |
| SMILES | C\1(=N\c2c(cccc2C(C)C)C(C)C)C(CC(C)C)=[N](c2c(cccc2C(C)C)C(C)C)[Ni](Cc2ccccc2)(O1)[P](C)(C)C |
| Title of publication | Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes |
| Authors of publication | Azoulay, Jason D.; Itigaki, Koji; Wu, Guang; Bazan, Guillermo C. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 10 |
| Pages of publication | 2273 |
| a | 10.2237 ± 0.0016 Å |
| b | 21.053 ± 0.003 Å |
| c | 18.063 ± 0.003 Å |
| α | 90° |
| β | 96.135 ± 0.003° |
| γ | 90° |
| Cell volume | 3865.6 ± 1 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 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 | 0.134 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.832 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178600 (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 4/07/11. |
4071190.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071190.cif |
| 87351 | 2013-08-12 | smi/4: Adding SMILES for purely organic compounds (no brackets) in subdir 4 |
4071190.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071190.cif |
| 43099 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071189, 4071190, 4071191, 4071192 via cif-deposit CGI script. |
4071190.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.