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Information card for entry 4515607
Preview
| Coordinates | 4515607.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H48 Ir2 N2 O P2 |
|---|---|
| Calculated formula | C29 H48 Ir2 N2 O P2 |
| Title of publication | Iridium Catalysts for Acceptorless Dehydrogenation of Alcohols to Carboxylic Acids: Scope and Mechanism. |
| Authors of publication | Cherepakhin, Valeriy; Williams, Travis J. |
| Journal of publication | ACS catalysis |
| Year of publication | 2018 |
| Journal volume | 8 |
| Journal issue | 5 |
| Pages of publication | 3754 - 3763 |
| a | 14.836 ± 0.005 Å |
| b | 15.464 ± 0.005 Å |
| c | 15.385 ± 0.005 Å |
| α | 90° |
| β | 114.159 ± 0.006° |
| γ | 90° |
| Cell volume | 3220.5 ± 1.8 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0431 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225751 (current) | 2019-11-10 | cif/ Adding structures of 4515607 via cif-deposit CGI script. |
4515607.cif |
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