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Information card for entry 7064329
Preview
| Coordinates | 7064329.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 Cl Mo N2 O7 S |
|---|---|
| Calculated formula | C18 H19 Cl 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 | 8.4494 ± 0.0002 Å |
| b | 11.4162 ± 0.0003 Å |
| c | 12.3491 ± 0.0003 Å |
| α | 65.537 ± 0.002° |
| β | 79.809 ± 0.002° |
| γ | 83.735 ± 0.002° |
| Cell volume | 1066.3 ± 0.05 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0302 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0783 |
| Weighted residual factors for all reflections included in the refinement | 0.0793 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| 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.