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Information card for entry 4518176
Preview
| Coordinates | 4518176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C97 H72 B2 F48 Ir Li N O5 P |
|---|---|
| Calculated formula | C97 H72 B2 F48 Ir Li N O5 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 | 12.8158 ± 0.0002 Å |
| b | 12.8715 ± 0.0002 Å |
| c | 17.2525 ± 0.0003 Å |
| α | 80.155 ± 0.001° |
| β | 89.504 ± 0.001° |
| γ | 66.413 ± 0.001° |
| Cell volume | 2564.14 ± 0.08 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 9 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0869 |
| Residual factor for significantly intense reflections | 0.0865 |
| Weighted residual factors for all reflections | 0.2306 |
| Weighted residual factors for significantly intense reflections | 0.2298 |
| Weighted residual factors for all reflections included in the refinement | 0.2306 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1545 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 258584 (current) | 2020-10-24 | cif/ Adding structures of 4518176 via cif-deposit CGI script. |
4518176.cif |
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Users of the data should acknowledge the original authors of the
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