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Information card for entry 4514252
Preview
| Coordinates | 4514252.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H32 Cl Ir N O7 P2 |
|---|---|
| Calculated formula | C44 H32 Cl Ir N O7 P2 |
| Title of publication | Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study |
| Authors of publication | Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri |
| Journal of publication | ACS Catalysis |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 12 |
| Pages of publication | 8139 |
| a | 13.554 ± 0.002 Å |
| b | 25.997 ± 0.004 Å |
| c | 13.478 ± 0.002 Å |
| α | 90° |
| β | 108.116 ± 0.002° |
| γ | 90° |
| Cell volume | 4513.7 ± 1.2 Å3 |
| Cell temperature | 173 ± 1 K |
| Ambient diffraction temperature | 173 ± 1 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 | 0.082 |
| Residual factor for significantly intense reflections | 0.0787 |
| Weighted residual factors for significantly intense reflections | 0.1748 |
| Weighted residual factors for all reflections included in the refinement | 0.1765 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.304 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 203980 (current) | 2017-12-05 | cif/ Updating files of 4514251, 4514252 Original log message: Adding full bibliography for 4514251--4514252.cif. |
4514252.cif |
| 202447 | 2017-11-01 | cif/ Adding structures of 4514252 via cif-deposit CGI script. |
4514252.cif |
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Users of the data should acknowledge the original authors of the
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