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Information card for entry 1100812
Preview
| Coordinates | 1100812.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H46 Co N3 |
|---|---|
| Calculated formula | C34 H46 Co N3 |
| Title of publication | Investigations into the Mechanism of Activation and Initiation of Ethylene Polymerization by Bis(imino)pyridine Cobalt Catalysts: Synthesis, Structures, and Deuterium Labeling Studies |
| Authors of publication | Humphries, Martin J.; Tellmann, Kilian P.; Gibson, Vernon C.; White, Andrew J. P.; Williams, David J. |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 9 |
| Pages of publication | 2039 - 2050 |
| a | 13.882 ± 0.002 Å |
| b | 14.823 ± 0.002 Å |
| c | 15.492 ± 0.006 Å |
| α | 90° |
| β | 90.92 ± 0.02° |
| γ | 90° |
| Cell volume | 3187.4 ± 1.4 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 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 | 0.0999 |
| Residual factor for significantly intense reflections | 0.0543 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1142 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.978 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Duplicate of | 4060323 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.