Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7120566
Preview
| Coordinates | 7120566.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H46 Y2 |
|---|---|
| Calculated formula | C32 H46 Y2 |
| Title of publication | Activation of C‒H bonds by rare-earth metallocene-butyl complexes |
| Authors of publication | Layfield, Richard; Day, Benjamin M. Morgan; Guo, Fu-Sheng; Pugh, Thomas; Grindell, Richard |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 14.4805 ± 0.0004 Å |
| b | 15.464 ± 0.0003 Å |
| c | 13.0556 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2923.49 ± 0.11 Å3 |
| Cell temperature | 150.02 ± 0.1 K |
| Ambient diffraction temperature | 150.02 ± 0.1 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0641 |
| Residual factor for significantly intense reflections | 0.0532 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1277 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 199784 (current) | 2017-08-16 | cif/ Adding structures of 7120559, 7120560, 7120561, 7120562, 7120563, 7120564, 7120565, 7120566 via cif-deposit CGI script. |
7120566.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.