Information card for entry 1544798

Structure parameters

• Chemical name: cis-dioxo(2-(N-(2-oxonapht-1-yl)methylamino)phenolato-N,O,O')-(methanol)-molybdenum(VI)
• Formula: C18 H15 Mo N O5
• Calculated formula: C18 H15 Mo N O5
• SMILES: [Mo]12(=O)(=O)(Oc3ccccc3[N]2=Cc2c(O1)ccc1ccccc21)[OH]C
• 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: 7.6444 ± 0.0005 Å
• b: 9.9107 ± 0.0005 Å
• c: 11.0535 ± 0.0006 Å
• α: 72.13 ± 0.005°
• β: 82.196 ± 0.005°
• γ: 88.111 ± 0.005°
• Cell volume: 789.61 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No