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Information card for entry 4518726
Preview
| Coordinates | 4518726.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (bis(acetonitrile))cobalt(bis(diphenylphosphinoethane)phenylphosphine)tetrafluoroborate |
|---|---|
| Formula | C38 H39 B Co F4 N2 P3 |
| Calculated formula | C38 H39 B Co F4 N2 P3 |
| Title of publication | Electrocatalytic Oxidation of Alcohol with Cobalt Triphosphine Complexes |
| Authors of publication | Heins, Spencer P.; Schneider, Patrick E.; Speelman, Amy L.; Hammes-Schiffer, Sharon; Appel, Aaron M. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 6384 - 6389 |
| a | 10.8813 ± 0.0012 Å |
| b | 21.4 ± 0.002 Å |
| c | 15.7081 ± 0.0016 Å |
| α | 90° |
| β | 95.165 ± 0.004° |
| γ | 90° |
| Cell volume | 3642.9 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| 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 | 0.0606 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1143 |
| Weighted residual factors for all reflections included in the refinement | 0.1212 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.268 |
| 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 |
|---|---|---|---|
| 301843 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/51/ Each referenced PubChem compound corresponds to the full crystal structure. |
4518726.cif |
| 265227 | 2021-05-15 | cif/ Adding structures of 4518726 via cif-deposit CGI script. |
4518726.cif |
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Users of the data should acknowledge the original authors of the
structural data.