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Information card for entry 2007227
Preview
| Coordinates | 2007227.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C9 H6 O3 W |
|---|---|
| Calculated formula | C9 H6 O3 W |
| SMILES | [W]12345(C#[O])(C#[O])(C#[O])[cH]6[cH]2[cH]4[cH]5[cH]3[cH]16 |
| Title of publication | The Final Member of an Isologous Series of Arenetricarbonyl Complexes: [W(η^6^-C~6~H~6~)(CO)~3~] |
| Authors of publication | Oh, Jane M.; Geib, Steven J.; Cooper, N. John |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 581 - 583 |
| a | 6.1119 ± 0.0012 Å |
| b | 11.047 ± 0.002 Å |
| c | 6.7488 ± 0.0013 Å |
| α | 90° |
| β | 101.23 ± 0.03° |
| γ | 90° |
| Cell volume | 446.94 ± 0.15 Å3 |
| Cell temperature | 208 ± 2 K |
| Ambient diffraction temperature | 208 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0283 |
| Residual factor for significantly intense reflections | 0.0257 |
| Weighted residual factors for all reflections | 0.0738 |
| Weighted residual factors for significantly intense reflections | 0.0713 |
| Goodness-of-fit parameter for all reflections | 1.259 |
| Goodness-of-fit parameter for significantly intense reflections | 1.262 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
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