Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4085790
Preview
| Coordinates | 4085790.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (PNP-tBu)Sc(NHAr] |
|---|---|
| Formula | C41 H57 N2 P2 Sc |
| Calculated formula | C41 H57 N2 P2 Sc |
| Title of publication | C‒H Bond Activations by Monoanionic, PNP-Supported Scandium Dialkyl Complexes |
| Authors of publication | Levine, Daniel S.; Tilley, T. Don; Andersen, Richard A. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 19 |
| Pages of publication | 4647 |
| a | 14.346 ± 0.0019 Å |
| b | 13.9805 ± 0.0019 Å |
| c | 19.889 ± 0.003 Å |
| α | 90° |
| β | 104.687 ± 0.007° |
| γ | 90° |
| Cell volume | 3858.7 ± 0.9 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0891 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.0877 |
| Weighted residual factors for all reflections included in the refinement | 0.1026 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085790.cif |
| 170109 | 2015-11-06 | cif/ Updating files of 4085784, 4085785, 4085786, 4085787, 4085788, 4085789, 4085790, 4085791, 4085792 Original log message: Adding full bibliography for 4085784--4085792.cif. |
4085790.cif |
| 136832 | 2015-05-18 | cif/ Adding structures of 4085784, 4085785, 4085786, 4085787, 4085788, 4085789, 4085790, 4085791, 4085792 via cif-deposit CGI script. |
4085790.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.