Information card for entry 7064329

Structure parameters

• 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 ų
• 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