Information card for entry 7058227

Structure parameters

• Common name: cyclo-bis(2-oxo-4-methoxybenzaldehyde 2-aminobenzoylhydrazonato-O,N,O\#8217;,N\#8217;)tetraoxo-dimolybdenum(VI)/acetonitrile (1/2)
• Formula: C17 H16 Mo N4 O5
• Calculated formula: C17 H16 Mo N4 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: 8.1916 ± 0.0004 Å
• b: 9.2854 ± 0.0005 Å
• c: 12.513 ± 0.0005 Å
• α: 79.025 ± 0.004°
• β: 89.996 ± 0.003°
• γ: 74.99 ± 0.004°
• Cell volume: 901.26 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No