Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7720569
Preview
| Coordinates | 7720569.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H109 Al N4 |
|---|---|
| Calculated formula | C70 H95 Al N4 |
| Title of publication | Amidines: a deeper look at the archetypal pro-ligand. |
| Authors of publication | de Vere-Tucker, Matthew; Squire, Imogen; Tritto, Michelangelo; Anandkar, Rohil; Syeda, Tayyibah; Uthayan, Divia; Aguila, Gabrielle; Silva de Moraes, Lygia; Bakewell, Clare |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2026 |
| Journal volume | 55 |
| Journal issue | 12 |
| Pages of publication | 4977 - 4987 |
| a | 12.0013 ± 0.0003 Å |
| b | 21.8264 ± 0.0006 Å |
| c | 13.1336 ± 0.0003 Å |
| α | 90° |
| β | 96.842 ± 0.002° |
| γ | 90° |
| Cell volume | 3415.78 ± 0.15 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 4 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0666 |
| Weighted residual factors for significantly intense reflections | 0.1934 |
| Weighted residual factors for all reflections included in the refinement | 0.2122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7720569.html
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.