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Information card for entry 4087623
Preview
| Coordinates | 4087623.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40.5 H52 O2.5 Os P2 |
|---|---|
| Calculated formula | C40.5 H52 O2.5 Os P2 |
| Title of publication | C‒H Bond Activation Reactions in Ketones and Aldehydes Promoted by POP-Pincer Osmium and Ruthenium Complexes |
| Authors of publication | Alós, Joaquín; Esteruelas, Miguel A.; Oliván, Montserrat; Oñate, Enrique; Puylaert, Pim |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 20 |
| Pages of publication | 4908 |
| a | 16.6453 ± 0.0013 Å |
| b | 18.6334 ± 0.0015 Å |
| c | 23.6385 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7331.7 ± 1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0541 |
| Weighted residual factors for significantly intense reflections | 0.0831 |
| Weighted residual factors for all reflections included in the refinement | 0.0919 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236886 (current) | 2019-11-24 | cif/ Adding structures of 4087623, 4087624, 4087625, 4087626 via cif-deposit CGI script. |
4087623.cif |
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Users of the data should acknowledge the original authors of the
structural data.