Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4087000
Preview
| Coordinates | 4087000.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H53 F5 Fe N2 O Sc Si2 |
|---|---|
| Calculated formula | C35 H53 F5 Fe N2 O Sc Si2 |
| Title of publication | Aromatic C‒F Bond Activation by Rare-Earth-Metal Complexes |
| Authors of publication | Huang, Wenliang; Diaconescu, Paula L. |
| Journal of publication | Organometallics |
| Year of publication | 2017 |
| Journal volume | 36 |
| Journal issue | 1 |
| Pages of publication | 89 |
| a | 10.3102 ± 0.0012 Å |
| b | 22.263 ± 0.003 Å |
| c | 16.831 ± 0.002 Å |
| α | 90° |
| β | 90.324 ± 0.0015° |
| γ | 90° |
| Cell volume | 3863.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0431 |
| Residual factor for significantly intense reflections | 0.0324 |
| Weighted residual factors for significantly intense reflections | 0.0776 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191292 (current) | 2017-02-04 | cif/ Adding structures of 4086999, 4087000, 4087001, 4087002 via cif-deposit CGI script. |
4087000.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.