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Information card for entry 4071191
Preview
| Coordinates | 4071191.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)-3- methylbutanamidato-k2N,O](n1-CH2Ph)(PMe3)nickel. |
|---|---|
| Formula | C39 H57 N2 Ni O P |
| Calculated formula | C39 H57 N2 Ni O P |
| SMILES | C1(C(C(C)C)=[N]([Ni](Cc2ccccc2)(O1)[P](C)(C)C)c1c(cccc1C(C)C)C(C)C)=Nc1c(cccc1C(C)C)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 | 9.716 ± 0.003 Å |
| b | 20.04 ± 0.007 Å |
| c | 19.496 ± 0.006 Å |
| α | 90° |
| β | 100.578 ± 0.005° |
| γ | 90° |
| Cell volume | 3732 ± 2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.081 |
| Residual factor for significantly intense reflections | 0.0492 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1194 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.871 |
| 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. |
4071191.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071191.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071191.cif |
| 43099 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071189, 4071190, 4071191, 4071192 via cif-deposit CGI script. |
4071191.cif |
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