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Information card for entry 4088616
Preview
| Coordinates | 4088616.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H14 N4 O |
|---|---|
| Calculated formula | C18 H14 N4 O |
| SMILES | O=C(c1ncccc1)N/C(=N/c1ccccc1)c1ncccc1 |
| 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 | 9.2275 ± 0.0002 Å |
| b | 15.4621 ± 0.0004 Å |
| c | 10.472 ± 0.0002 Å |
| α | 90° |
| β | 100.328 ± 0.002° |
| γ | 90° |
| Cell volume | 1469.9 ± 0.06 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0979 |
| Weighted residual factors for all reflections included in the refinement | 0.1085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237708 (current) | 2019-11-24 | cif/ Adding structures of 4088616 via cif-deposit CGI script. |
4088616.cif |
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