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Information card for entry 4088620
Preview
| Coordinates | 4088620.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H19 Cl3 N4 O Zr |
|---|---|
| Calculated formula | C23 H19 Cl3 N4 O Zr |
| SMILES | [Zr]12345(Cl)(Cl)(Cl)([O]=C(/N=C(/Nc6ccccc6)c6ncccc6)c6[n]5cccc6)[cH]5[cH]1[cH]2[cH]3[cH]45 |
| Title of publication | Catalytically Active N-Acylamidine‒Zirconium Complexes: Synthesis, Structures, and Application in Ethylene Polymerization |
| Authors of publication | Holtrichter-Rößmann, Thorsten; Häger, Ina; Daniliuc, Constantin-Gabriel; Fröhlich, Roland; Bergander, Klaus; Troll, Carsten; Rieger, Bernhard; Rojas, René S.; Würthwein, Ernst-Ulrich |
| Journal of publication | Organometallics |
| Year of publication | 2016 |
| Journal volume | 35 |
| Journal issue | 11 |
| Pages of publication | 1906 |
| a | 7.9953 ± 0.0001 Å |
| b | 16.3071 ± 0.0002 Å |
| c | 17.5627 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2289.83 ± 0.06 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0403 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.0818 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237716 (current) | 2019-11-24 | cif/ Adding structures of 4088620 via cif-deposit CGI script. |
4088620.cif |
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Users of the data should acknowledge the original authors of the
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