Information card for entry 1544795

Structure parameters

• Common name: cis-dioxo(2-(N-(salicylidene)amino)-4-methylphenolato-N,O,O')-(methanol)-molybdenum(VI)
• Formula: C16 H19 Mo N O6
• Calculated formula: C16 H19 Mo N O6
• 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: 6.9126 ± 0.0014 Å
• b: 7.6578 ± 0.0015 Å
• c: 31.895 ± 0.006 Å
• α: 90°
• β: 92.22 ± 0.03°
• γ: 90°
• Cell volume: 1687.1 ± 0.6 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: 0.0486
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No