Information card for entry 7058230

Structure parameters

• Common name: cyclo-bis(2-oxo-4-methoxybenzaldehyde 2-aminobenzoylhydrazonato-O,N,O',N')tetraoxo-dimolybdenum(VI)
• Formula: C15 H13 Mo N3 O5
• Calculated formula: C15 H13 Mo N3 O5
• 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: 8.0972 ± 0.0003 Å
• b: 9.5153 ± 0.0002 Å
• c: 20.0124 ± 0.0005 Å
• α: 90°
• β: 90.318 ± 0.003°
• γ: 90°
• Cell volume: 1541.88 ± 0.08 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: 0.0554
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1196
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No