Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7715693
Preview
| Coordinates | 7715693.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74.03 H73.39 Cl2 F0.84 N2 P4 Ru |
|---|---|
| Calculated formula | C74.0328 H73.394 Cl2 F0.8388 N2 P4 Ru |
| Title of publication | Backbone-Functionalised Ruthenium Diphosphine Complexes for Catalytic Upgrading of Ethanol and Methanol to iso-Butanol |
| Authors of publication | Sama, Folasade; Doyle, Rachel; Kariuki, Benson M.; Pridmore, Natalie E.; Sparkes, Hazel Anne; Wingad, Richard Lance; Wass, Duncan |
| Journal of publication | Dalton Transactions |
| Year of publication | 2024 |
| a | 10.3517 ± 0.0003 Å |
| b | 11.789 ± 0.0003 Å |
| c | 14.7461 ± 0.0004 Å |
| α | 86.83 ± 0.002° |
| β | 82.892 ± 0.002° |
| γ | 66.874 ± 0.002° |
| Cell volume | 1642.19 ± 0.08 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0668 |
| Residual factor for significantly intense reflections | 0.0452 |
| Weighted residual factors for significantly intense reflections | 0.1082 |
| Weighted residual factors for all reflections included in the refinement | 0.119 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 291104 (current) | 2024-04-06 | cif/ Adding structures of 7715692, 7715693 via cif-deposit CGI script. |
7715693.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.