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Information card for entry 4516838
Preview
| Coordinates | 4516838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H36 Cr N3 |
|---|---|
| Calculated formula | C27 H36 Cr N3 |
| SMILES | [Cr]123([N](c4c(C1)cccc4)(C)C)([N](c1c(C2)cccc1)(C)C)[N](c1c(C3)cccc1)(C)C |
| Title of publication | Methylaluminoxane-Free Chromium Catalytic System for Ethylene Tetramerization. |
| Authors of publication | Kim, Eun Ho; Lee, Hyun Mo; Jeong, Myoung Sun; Ryu, Ji Yeon; Lee, Junseong; Lee, Bun Yeoul |
| Journal of publication | ACS omega |
| Year of publication | 2017 |
| Journal volume | 2 |
| Journal issue | 3 |
| Pages of publication | 765 - 773 |
| a | 7.0261 ± 0.0003 Å |
| b | 28.8953 ± 0.0011 Å |
| c | 11.939 ± 0.0005 Å |
| α | 90° |
| β | 100.211 ± 0.002° |
| γ | 90° |
| Cell volume | 2385.48 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0312 |
| Weighted residual factors for significantly intense reflections | 0.0923 |
| Weighted residual factors for all reflections included in the refinement | 0.095 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 239582 (current) | 2019-11-24 | cif/ Adding structures of 4516838 via cif-deposit CGI script. |
4516838.cif |
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Users of the data should acknowledge the original authors of the
structural data.