Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7129197
Preview
| Coordinates | 7129197.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59 H62 B Ir N3 O4 P2 |
|---|---|
| Calculated formula | C59 H62 B Ir N3 O4 P2 |
| Title of publication | Modulation of H<sup>+</sup>/H<sup>-</sup> exchange in iridium-hydride 2-hydroxypyridine complexes by remote Lewis acids. |
| Authors of publication | Shanahan, J. P.; Moore, C. M.; Kampf, Jeff W.; Szymczak, N. K. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2021 |
| Journal volume | 57 |
| Journal issue | 88 |
| Pages of publication | 11705 - 11708 |
| a | 15.63118 ± 0.00007 Å |
| b | 23.44856 ± 0.0001 Å |
| c | 14.12898 ± 0.00008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5178.68 ± 0.04 Å3 |
| Cell temperature | 85 ± 2 K |
| Ambient diffraction temperature | 85 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.092 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270302 (current) | 2021-11-04 | cif/ Adding structures of 7129196, 7129197, 7129198, 7129199 via cif-deposit CGI script. |
7129197.cif |
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.