Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7130333
Preview
| Coordinates | 7130333.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C71 H101 Al Cu N2 O2 P |
|---|---|
| Calculated formula | C71 H101 Al Cu N2 O2 P |
| Title of publication | Alkyne insertion into Cu–Al bonds and selective functionalization to form copper acyl compounds |
| Authors of publication | McManus, Caitilín; Crumpton, Agamemnon E.; Aldridge, Simon |
| Journal of publication | Chemical Communications |
| Year of publication | 2022 |
| a | 12.1884 ± 0.0002 Å |
| b | 17.4389 ± 0.0004 Å |
| c | 19.4541 ± 0.0005 Å |
| α | 71.108 ± 0.002° |
| β | 79.692 ± 0.002° |
| γ | 80.746 ± 0.002° |
| Cell volume | 3825.54 ± 0.15 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0475 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1084 |
| Weighted residual factors for all reflections included in the refinement | 0.1148 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276700 (current) | 2022-07-07 | cif/ Adding structures of 7130330, 7130331, 7130332, 7130333, 7130334 via cif-deposit CGI script. |
7130333.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.