Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4518175.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.