Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7057747
Preview
| Coordinates | 7057747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H12 N2 O2 |
|---|---|
| Calculated formula | C14 H12 N2 O2 |
| Title of publication | Ruthenium p-cymene complexes with α-diimine ligands as catalytic precursors for the transfer hydrogenation of ethyl levulinate to γ-valerolactone |
| Authors of publication | Biancalana, Lorenzo; Fulignati, Sara; Antonetti, Claudia; Zacchini, Stefano; Provinciali, Giacomo; Pampaloni, Guido; Raspolli Galletti, Anna Maria; Marchetti, Fabio |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2018 |
| Journal volume | 42 |
| Journal issue | 21 |
| Pages of publication | 17574 |
| a | 4.9045 ± 0.0011 Å |
| b | 11.022 ± 0.002 Å |
| c | 10.913 ± 0.003 Å |
| α | 90° |
| β | 101.589 ± 0.006° |
| γ | 90° |
| Cell volume | 577.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0604 |
| Residual factor for significantly intense reflections | 0.0439 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 230509 (current) | 2019-11-17 | cif/ Updating files of 7057747, 7057748 Original log message: Adding full bibliography for 7057747--7057748.cif. |
7057747.cif |
| 211076 | 2018-09-20 | cif/ Adding structures of 7057747, 7057748 via cif-deposit CGI script. |
7057747.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.