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Information card for entry 4088618
Preview
| Coordinates | 4088618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H13 N3 O2 |
|---|---|
| Calculated formula | C14 H13 N3 O2 |
| SMILES | O=C(c1ncccc1)/N=C(/c1ncccc1)OCC |
| 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 | 7.7506 ± 0.0001 Å |
| b | 8.3383 ± 0.0001 Å |
| c | 11.2037 ± 0.0001 Å |
| α | 81.165 ± 0.001° |
| β | 70.895 ± 0.001° |
| γ | 71.729 ± 0.001° |
| Cell volume | 648.636 ± 0.014 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 ± 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 | 0.0387 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237712 (current) | 2019-11-24 | cif/ Adding structures of 4088618 via cif-deposit CGI script. |
4088618.cif |
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Users of the data should acknowledge the original authors of the
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