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Information card for entry 8104873
Preview
| Coordinates | 8104873.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Cl4 N2 O Zr |
|---|---|
| Calculated formula | C18 H20 Cl4 N2 O Zr |
| Title of publication | Preparation and crystal structure of a cationic olefin polymerization precatalyst: (1,7-bis(2,6–dichlorophenyl)-1,7-di-aza-4-oxo-heptan-1,4,7-triyl)dimethyl zirconium(IV), C18H20Cl4N2OZr |
| Authors of publication | Bonitatibus, Peter J.; Reiss, Guido J. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 1 |
| Pages of publication | 29 - 32 |
| a | 12.457 ± 0.003 Å |
| b | 22.806 ± 0.008 Å |
| c | 7.398 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2101.7 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0395 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0685 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273987 (current) | 2022-03-25 | cif/ Adding structures of 8104873 via cif-deposit CGI script. |
8104873.cif |
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Users of the data should acknowledge the original authors of the
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