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Information card for entry 4343532
Preview
| Coordinates | 4343532.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H8 N2 O5 W |
|---|---|
| Calculated formula | C10 H8 N2 O5 W |
| SMILES | [W]123(OO1)(OO2)(=O)[n]1ccccc1c1[n]3cccc1 |
| Title of publication | Crystal Structure and Catalytic Behavior in Olefin Epoxidation of a One-Dimensional Tungsten Oxide/Bipyridine Hybrid. |
| Authors of publication | Amarante, Tatiana R.; Antunes, Margarida M.; Valente, Anabela A.; Paz, Filipe A Almeida; Pillinger, Martyn; Gonçalves, Isabel S |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 20 |
| Pages of publication | 9690 - 9703 |
| a | 6.2509 ± 0.0006 Å |
| b | 12.5514 ± 0.0011 Å |
| c | 13.6903 ± 0.0012 Å |
| α | 90° |
| β | 91.851 ± 0.003° |
| γ | 90° |
| Cell volume | 1073.55 ± 0.17 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0623 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4343532.cif |
| 170795 | 2015-12-06 | cif/ Updating files of 4343532 Original log message: Adding full bibliography for 4343532.cif. |
4343532.cif |
| 139918 | 2015-07-03 | cif/ Adding structures of 4343532 via cif-deposit CGI script. |
4343532.cif |
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Users of the data should acknowledge the original authors of the
structural data.