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Information card for entry 1556374
Preview
| Coordinates | 1556374.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H22 Cl2 N4 Ni |
|---|---|
| Calculated formula | C18 H22 Cl2 N4 Ni |
| SMILES | Cc1cc(C)[n]2n1Cc1ccccc1Cn1c(C)cc(C)[n]1[Ni]2(Cl)Cl |
| Title of publication | Tandem ethylene oligomerisation and Friedel‒Crafts alkylation of toluene catalysed by bis-(3,5-dimethylpyrazol-1-ylmethyl)benzene nickel(ii) complexes and ethylaluminium dichloride |
| Authors of publication | Budhai, Asheena; Omondi, Bernard; Ojwach, Stephen O.; Obuah, Collins; Osei-Twum, Emmanuel Y.; Darkwa, James |
| Journal of publication | Catalysis Science & Technology |
| Year of publication | 2013 |
| Journal volume | 3 |
| Journal issue | 12 |
| Pages of publication | 3130 |
| a | 9.2765 ± 0.0005 Å |
| b | 10.7428 ± 0.0005 Å |
| c | 12.1287 ± 0.0006 Å |
| α | 110.976 ± 0.003° |
| β | 96.346 ± 0.003° |
| γ | 113.712 ± 0.003° |
| Cell volume | 986.47 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0893 |
| Weighted residual factors for all reflections included in the refinement | 0.0928 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244408 (current) | 2019-11-28 | cif/ Adding structures of 1556373, 1556374, 1556375 via cif-deposit CGI script. |
1556374.cif |
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Users of the data should acknowledge the original authors of the
structural data.