Information card for entry 7058229

Structure parameters

• Common name: methanol(2-oxo-4-methoxybenzaldehyde 2-aminobenzoylhydrazonato-O,N,O')dioxo molybdenum(VI)
• Formula: C16 H17 Mo N3 O6
• Calculated formula: C16 H17 Mo N3 O6
• Title of publication: Molybdenum(vi) complexes of hemilabile aroylhydrazone ligands as efficient catalysts for greener cyclooctene epoxidation: an experimental and theoretical approach
• Authors of publication: Pisk, Jana; Rubčić, Mirta; Kuzman, Dino; Cindrić, Marina; Agustin, Dominique; Vrdoljak, Višnja
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 14
• Pages of publication: 5531
• a: 12.9814 ± 0.0007 Å
• b: 9.8022 ± 0.0004 Å
• c: 14.1346 ± 0.0007 Å
• α: 90°
• β: 106.969 ± 0.005°
• γ: 90°
• Cell volume: 1720.27 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0915
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No