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Information card for entry 4132517
Preview
| Coordinates | 4132517.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H82 Ni2 O2 P2 |
|---|---|
| Calculated formula | C51 H82 Ni2 O2 P2 |
| Title of publication | Intermediacy of Ni-Ni Species in sp<sup>2</sup> C-O Bond Cleavage of Aryl Esters: Relevance in Catalytic C-Si Bond Formation. |
| Authors of publication | Somerville, Rosie J.; Hale, Lillian V. A.; Gómez-Bengoa, Enrique; Burés, Jordi; Martin, Ruben |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 28 |
| Pages of publication | 8771 - 8780 |
| a | 32.625 ± 0.002 Å |
| b | 9.9735 ± 0.0007 Å |
| c | 28.5895 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9302.6 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.204 |
| Residual factor for significantly intense reflections | 0.0682 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.936 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242487 (current) | 2019-11-26 | cif/ Adding structures of 4132517 via cif-deposit CGI script. |
4132517.cif |
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Users of the data should acknowledge the original authors of the
structural data.