Information card for entry 1544797

Structure parameters

• Chemical name: cis-dioxo(2-(N-(3-methoxysalicyliden)amino)-5-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)
• Formula: C17 H21 Mo N O7
• Calculated formula: C17 H21 Mo N O7
• SMILES: [Mo]12(=O)(=O)(Oc3cc(ccc3[N]2=Cc2c(O1)c(OC)ccc2)C)[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: 19.61 ± 0.0007 Å
• b: 7.5974 ± 0.0004 Å
• c: 12.7835 ± 0.0005 Å
• α: 90°
• β: 102.179 ± 0.004°
• γ: 90°
• Cell volume: 1861.68 ± 0.14 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: 0.0504
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No