Information card for entry 7064328

Structure parameters

• 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 ų
• 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