Information card for entry 7054469

Structure parameters

• Formula: C17 H18 Mo N2 O7
• Calculated formula: C17 H18 Mo N2 O7
• SMILES: c12c(cc(cc1)OC)O[Mo]1(=O)(=O)(OC(=N[N]1=C2)c1ccc(cc1)O)[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: 6.6695 ± 0.0009 Å
• b: 18.7911 ± 0.0019 Å
• c: 14.411 ± 0.002 Å
• α: 90°
• β: 96.799 ± 0.014°
• γ: 90°
• Cell volume: 1793.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1227
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No