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Information card for entry 7064328
Preview
| Coordinates | 7064328.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H20 Mo N2 O7 S |
|---|---|
| Calculated formula | C18 H20 Mo N2 O7 S |
| Title of publication | Catalytic oxidation of tetralin by dioxomolybdenum complexes: design, synthesis, characterization and DFT investigations |
| Authors of publication | Nafisa,; Rana, Lata; Mahiya, Kuldeep |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| Journal volume | 50 |
| Journal issue | 2 |
| Pages of publication | 798 - 809 |
| a | 8.574 ± 0.0001 Å |
| b | 16.4334 ± 0.0001 Å |
| c | 14.3946 ± 0.0001 Å |
| α | 90° |
| β | 93.908 ± 0.001° |
| γ | 90° |
| Cell volume | 2023.48 ± 0.03 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| 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 | 0.0229 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0571 |
| Weighted residual factors for all reflections included in the refinement | 0.0579 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.