Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1556433
Preview
| Coordinates | 1556433.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H21 Al N2 S2 |
|---|---|
| Calculated formula | C10 H20 Al N2 S2 |
| SMILES | S1[Al]23(SCC[N]42CC[N]3(CCC4)CC1)C |
| Title of publication | Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy |
| Authors of publication | Yang, X.; Lunsford, A.; Darensbourg, M.Y. |
| Journal of publication | Inorganics |
| Year of publication | 2019 |
| Journal volume | 7 |
| Pages of publication | 115 |
| a | 7.354 ± 0.004 Å |
| b | 7.723 ± 0.004 Å |
| c | 12.601 ± 0.006 Å |
| α | 94.767 ± 0.007° |
| β | 98.204 ± 0.007° |
| γ | 115.566 ± 0.006° |
| Cell volume | 630.5 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.1185 |
| Residual factor for significantly intense reflections | 0.0733 |
| Weighted residual factors for significantly intense reflections | 0.1248 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.25 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244930 (current) | 2019-12-06 | cif/ Adding structures of 1556433 via cif-deposit CGI script. |
1556433.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.