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Information card for entry 1556434
Preview
| Coordinates | 1556434.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H18 Cl Ga N2 S2 |
|---|---|
| Calculated formula | C9 H18 Cl Ga N2 S2 |
| SMILES | [Ga]123(Cl)SCC[N]42CC[N]3(CCC4)CCS1 |
| 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 | 7.3341 ± 0.0005 Å |
| b | 7.6637 ± 0.0005 Å |
| c | 12.6658 ± 0.0009 Å |
| α | 94.557 ± 0.002° |
| β | 98.228 ± 0.002° |
| γ | 114.796 ± 0.002° |
| Cell volume | 631.86 ± 0.08 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.05 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.1392 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244931 (current) | 2019-12-06 | cif/ Adding structures of 1556434 via cif-deposit CGI script. |
1556434.cif |
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