Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574961
Preview
| Coordinates | 1574961.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H79 Al N5 P Si |
|---|---|
| Calculated formula | C46 H79 Al N5 P Si |
| Title of publication | Aluminacyclopropene-Phosphine Complex: A Carbene-Exchange Reagent |
| Authors of publication | Xu, Huihui; Baeza, José Miguel Léon; Bacereido, José Antoine; Rojas, Rene S.; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi |
| Journal of publication | Chemical Science |
| Year of publication | 2025 |
| a | 12.659 ± 0.001 Å |
| b | 17.5105 ± 0.0012 Å |
| c | 20.6407 ± 0.0015 Å |
| α | 90° |
| β | 90.19 ± 0.003° |
| γ | 90° |
| Cell volume | 4575.3 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0799 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1026 |
| Weighted residual factors for all reflections included in the refinement | 0.1197 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300267 (current) | 2025-07-01 | cif/ Adding structures of 1574958, 1574959, 1574960, 1574961, 1574962, 1574963, 1574964 via cif-deposit CGI script. |
1574961.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.