Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7131788
Preview
| Coordinates | 7131788.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H52 Cl Ge Ir N2 O P2 |
|---|---|
| Calculated formula | C29 H52 Cl Ge Ir N2 O P2 |
| SMILES | [Ir]12(C#[O])[Ge]3(Cl)N(c4ccccc4N3CCC[P]2(C(C)(C)C)C(C)(C)C)CCC[P]1(C(C)(C)C)C(C)(C)C |
| 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 | 17.8449 ± 0.0014 Å |
| b | 16.1593 ± 0.0014 Å |
| c | 23.0027 ± 0.0018 Å |
| α | 90° |
| β | 103.083 ± 0.005° |
| γ | 90° |
| Cell volume | 6460.9 ± 0.9 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0596 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.0946 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.006 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 284559 (current) | 2023-06-29 | cif/ Adding structures of 7131786, 7131787, 7131788 via cif-deposit CGI script. |
7131788.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.