Information card for entry 7054471

Structure parameters

• Formula: C16 H16 Mo N2 O6
• Calculated formula: C16 H16 Mo N2 O6
• SMILES: [Mo]12(=O)(=O)(Oc3c(cccc3)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: 6.9243 ± 0.0001 Å
• b: 7.5678 ± 0.0002 Å
• c: 15.8992 ± 0.0004 Å
• α: 95.56 ± 0.002°
• β: 90.676 ± 0.002°
• γ: 100.214 ± 0.002°
• Cell volume: 815.73 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0275
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No