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Information card for entry 7064327
Preview
| Coordinates | 7064327.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 Mo N2 O8 S |
|---|---|
| Calculated formula | C19 H22 Mo N2 O8 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 | 9.211 ± 0.0001 Å |
| b | 8.0189 ± 0.0001 Å |
| c | 29.0172 ± 0.0002 Å |
| α | 90° |
| β | 93.288 ± 0.001° |
| γ | 90° |
| Cell volume | 2139.74 ± 0.04 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0284 |
| Residual factor for significantly intense reflections | 0.0246 |
| Weighted residual factors for significantly intense reflections | 0.0634 |
| Weighted residual factors for all reflections included in the refinement | 0.0654 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| 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
structural data.