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Information card for entry 1556436
Preview
| Coordinates | 1556436.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C14 H18 Cl Ga N2 O5 S2 W |
|---|---|
| Calculated formula | C14 H18 Cl Ga N2 O5 S2 W |
| SMILES | C(#[O])[W](C#[O])(C#[O])(C#[O])(C#[O])[S]1CC[N]23CCC[N]4(CC2)CC[S][Ga]134Cl |
| 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 | 8.2266 ± 0.0011 Å |
| b | 19.245 ± 0.002 Å |
| c | 12.8581 ± 0.0018 Å |
| α | 90° |
| β | 95.932 ± 0.008° |
| γ | 90° |
| Cell volume | 2024.8 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100.15 K |
| Number of distinct elements | 8 |
| 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 | 0.0344 |
| Residual factor for significantly intense reflections | 0.032 |
| Weighted residual factors for significantly intense reflections | 0.0781 |
| Weighted residual factors for all reflections included in the refinement | 0.08 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244933 (current) | 2019-12-06 | cif/ Adding structures of 1556436 via cif-deposit CGI script. |
1556436.cif |
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