Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7127353
Preview
| Coordinates | 7127353.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H76 Cu2 N4 P2 |
|---|---|
| Calculated formula | C68 H76 Cu2 N4 P2 |
| Title of publication | The first ring-expanded NHC-copper(i) phosphides as catalysts in the highly selective hydrophosphination of isocyanates. |
| Authors of publication | Horsley Downie, Thomas M.; Hall, Jonathan W.; Collier Finn, Thomas P.; Liptrot, David J.; Lowe, John P.; Mahon, Mary F.; McMullin, Claire L.; Whittlesey, Michael K. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2020 |
| Journal volume | 56 |
| Journal issue | 87 |
| Pages of publication | 13359 - 13362 |
| a | 11.3727 ± 0.0003 Å |
| b | 11.3954 ± 0.0004 Å |
| c | 22.6857 ± 0.0008 Å |
| α | 90.164 ± 0.003° |
| β | 91.091 ± 0.003° |
| γ | 101.25 ± 0.003° |
| Cell volume | 2882.91 ± 0.17 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.054 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| 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 |
|---|---|---|---|
| 260706 (current) | 2021-01-07 | cif/ Updating files of 7127351, 7127352, 7127353, 7127354, 7127355, 7127356, 7127357 Original log message: Adding full bibliography for 7127351--7127357.cif. |
7127353.cif |
| 256904 | 2020-10-02 | cif/ Adding structures of 7127351, 7127352, 7127353, 7127354, 7127355, 7127356, 7127357 via cif-deposit CGI script. |
7127353.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.