Information card for entry 1544799

Structure parameters

• Chemical name: cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)
• Formula: C20 H21 Mo N O6
• Calculated formula: C20 H21 Mo N O6
• SMILES: [Mo]12([N](c3c(O1)cc(cc3)C)=Cc1c(O2)ccc2ccccc12)(=O)(=O)[OH]C.OC
• Title of publication: Towards a global greener process: from solvent-less synthesis of molybdenum(vi) ONO Schiff base complexes to catalyzed olefin epoxidation under organic-solvent-free conditions
• Authors of publication: Cindrić, Marina; Pavlović, Gordana; Katava, Robert; Agustin, Dominique
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 594
• a: 7.9476 ± 0.0013 Å
• b: 14.9809 ± 0.0014 Å
• c: 16.765 ± 0.003 Å
• α: 90°
• β: 96.268 ± 0.019°
• γ: 90°
• Cell volume: 1984.1 ± 0.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.85
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No