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Information card for entry 4515817
Preview
| Coordinates | 4515817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H44 O3 Os P2 |
|---|---|
| Calculated formula | C28 H44 O3 Os P2 |
| Title of publication | Dehydrogenation of Formic Acid Promoted by a Trihydride-Hydroxo-Osmium(IV) Complex: Kinetics and Mechanism |
| Authors of publication | Esteruelas, Miguel A.; García-Yebra, Cristina; Martín, Jaime; Oñate, Enrique |
| Journal of publication | ACS Catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 12 |
| Pages of publication | 11314 |
| a | 15.878 ± 0.002 Å |
| b | 10.9673 ± 0.0015 Å |
| c | 16.462 ± 0.002 Å |
| α | 90° |
| β | 90.174 ± 0.002° |
| γ | 90° |
| Cell volume | 2866.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0744 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0832 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225922 (current) | 2019-11-10 | cif/ Adding structures of 4515817 via cif-deposit CGI script. |
4515817.cif |
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Users of the data should acknowledge the original authors of the
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