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Information card for entry 4517513
Preview
| Coordinates | 4517513.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H64 B Co F24 P4 |
|---|---|
| Calculated formula | C86 H64 B Co F24 P4 |
| Title of publication | Mechanism of Cobalt-Catalyzed Heterodimerization of Acrylates and 1,3-Dienes. A Potential Role of Cationic Cobalt(I) Intermediates |
| Authors of publication | Gray, Montgomery; Hines, Michael T.; Parsutkar, Mahesh M.; Wahlstrom, A. J.; Brunelli, Nicholas A.; RajanBabu, T. V. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 7 |
| Pages of publication | 4337 - 4348 |
| a | 16.6366 ± 0.0007 Å |
| b | 12.7954 ± 0.0006 Å |
| c | 37.4749 ± 0.0017 Å |
| α | 90° |
| β | 101.172 ± 0.002° |
| γ | 90° |
| Cell volume | 7826.2 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257007 (current) | 2020-10-04 | cif/ Updating files of 4517513, 4517514 Original log message: Adding full bibliography for 4517513--4517514.cif. |
4517513.cif |
| 250044 | 2020-04-04 | cif/ Updating files of 4517513, 4517514 Original log message: Adding full bibliography for 4517513--4517514.cif. |
4517513.cif |
| 249615 | 2020-03-24 | cif/ Adding structures of 4517513 via cif-deposit CGI script. |
4517513.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.