Information card for entry 7054467

Structure parameters

• Formula: C17 H18 Mo N2 O7
• Calculated formula: C17 H18 Mo N2 O7
• SMILES: [Mo]12(=O)(=O)(Oc3c(cccc3OC)C=[N]2N=C(c2ccc(cc2)O)O1)[OH]CC
• Title of publication: Dioxomolybdenum(vi) and dioxotungsten(vi) complexes chelated with the ONO tridentate hydrazone ligand: synthesis, structure and catalytic epoxidation activity
• Authors of publication: Vrdoljak, Višnja; Pisk, Jana; Agustin, Dominique; Novak, Predrag; Parlov Vuković, Jelena; Matković-Čalogović, Dubravka
• Journal of publication: New J. Chem.
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 12
• Pages of publication: 6176
• a: 7.0077 ± 0.0003 Å
• b: 27.0442 ± 0.0016 Å
• c: 9.784 ± 0.0005 Å
• α: 90°
• β: 102.138 ± 0.004°
• γ: 90°
• Cell volume: 1812.79 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.055
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0607
• Weighted residual factors for all reflections included in the refinement: 0.0648
• Goodness-of-fit parameter for all reflections included in the refinement: 0.907
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No