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Information card for entry 7047897
Preview
| Coordinates | 7047897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H54 N4 O |
|---|---|
| Calculated formula | C46 H54 N4 O |
| Title of publication | New phenyl–nickel complexes of bulky 2-iminopyrrolyl chelates: synthesis, characterisation and application as aluminium-free catalysts for the production of hyperbranched polyethylene |
| Authors of publication | Figueira, Cláudia A.; Lopes, Patrícia S.; Gomes, Clara S. B.; Gomes, Joselaine C. S.; Lemos, Francisco; Gomes, Pedro T. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2018 |
| a | 10.7581 ± 0.0008 Å |
| b | 11.5604 ± 0.0009 Å |
| c | 16.0156 ± 0.0012 Å |
| α | 81.266 ± 0.004° |
| β | 88.811 ± 0.004° |
| γ | 86.331 ± 0.005° |
| Cell volume | 1964.6 ± 0.3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0899 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1153 |
| Weighted residual factors for all reflections included in the refinement | 0.1285 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7047897.cif |
| 211649 | 2018-10-26 | cif/ Adding structures of 7047893, 7047894, 7047895, 7047896, 7047897, 7047898, 7047899, 7047900, 7047901, 7047902, 7047903, 7047904, 7047905, 7047906, 7047907 via cif-deposit CGI script. |
7047897.cif |
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Users of the data should acknowledge the original authors of the
structural data.