Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7131786
Preview
| Coordinates | 7131786.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H64 B F24 Ge Ir N2 O P2 |
|---|---|
| Calculated formula | C61 H64 B F24 Ge Ir N2 O P2 |
| Title of publication | A genuine germylene PGeP pincer ligand for formic acid dehydrogenation with iridium. |
| Authors of publication | Fernández-Buenestado, Marta; Somerville, Rosie J.; López-Serrano, Joaquín; Campos, Jesús |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2023 |
| a | 13.3461 ± 0.0006 Å |
| b | 14.9886 ± 0.0007 Å |
| c | 16.441 ± 0.0007 Å |
| α | 87.795 ± 0.002° |
| β | 82.652 ± 0.002° |
| γ | 87.704 ± 0.002° |
| Cell volume | 3257.4 ± 0.3 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 9 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0846 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.1223 |
| Weighted residual factors for all reflections included in the refinement | 0.1452 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284559 (current) | 2023-06-29 | cif/ Adding structures of 7131786, 7131787, 7131788 via cif-deposit CGI script. |
7131786.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.