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Information card for entry 4518175
Preview
| Coordinates | 4518175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H42 Cl Ir N O6 P |
|---|---|
| Calculated formula | C24 H42 Cl Ir N O6 P |
| Title of publication | Identifying and Evading Olefin Isomerization Catalyst Deactivation Pathways Resulting from Ion-Tunable Hemilability |
| Authors of publication | Dodge, Henry M.; Kita, Matthew R.; Chen, Chun-Hsing; Miller, Alexander J. M. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2020 |
| Pages of publication | 13019 - 13030 |
| a | 7.9554 ± 0.0009 Å |
| b | 13.3409 ± 0.0014 Å |
| c | 13.583 ± 0.0014 Å |
| α | 108.591 ± 0.004° |
| β | 95.505 ± 0.005° |
| γ | 94.138 ± 0.004° |
| Cell volume | 1352 ± 0.3 Å3 |
| Cell temperature | 273 K |
| Ambient diffraction temperature | 273 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0205 |
| Residual factor for significantly intense reflections | 0.0197 |
| Weighted residual factors for all reflections | 0.0495 |
| Weighted residual factors for significantly intense reflections | 0.0491 |
| Weighted residual factors for all reflections included in the refinement | 0.0495 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0692 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258583 (current) | 2020-10-24 | cif/ Adding structures of 4518175 via cif-deposit CGI script. |
4518175.cif |
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Users of the data should acknowledge the original authors of the
structural data.