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Information card for entry 4083697
Preview
| Coordinates | 4083697.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | {(E)-2,6-diethyl-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}dichloronickel |
|---|---|
| Formula | C25 H26 Cl2 N4 Ni |
| Calculated formula | C25 H26 Cl2 N4 Ni |
| SMILES | [Ni]12([n]3c(n(c4c3cccc4)C)c3[n]1c(C(=[N]2c1c(CC)cccc1CC)C)ccc3)(Cl)Cl |
| Title of publication | Synthesis, Characterization and Ethylene Oligomerization Studies of Nickel Complexes Bearing 2-Benzimidazolylpyridine Derivatives |
| Authors of publication | Hao, Peng; Zhang, Shu; Sun, Wen-Hua; Shi, Qisong; Adewuyi, Sherrif; Lu, Xiaoming; Li, Peizhou |
| Journal of publication | Organometallics |
| Year of publication | 2007 |
| Journal volume | 26 |
| Journal issue | 9 |
| Pages of publication | 2439 |
| a | 9.5439 ± 0.0003 Å |
| b | 13.9544 ± 0.0004 Å |
| c | 18.5858 ± 0.0006 Å |
| α | 90° |
| β | 94.433 ± 0.002° |
| γ | 90° |
| Cell volume | 2467.84 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1594 |
| Weighted residual factors for all reflections included in the refinement | 0.1713 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178725 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/36. |
4083697.cif |
| 117727 | 2014-06-15 | cif/ Adding structures of 4083693, 4083694, 4083695, 4083696, 4083697, 4083698 via cif-deposit CGI script. |
4083697.cif |
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Users of the data should acknowledge the original authors of the
structural data.