Information card for entry 7054470

Structure parameters

• Formula: C30 H24 Mo2 N4 O12
• Calculated formula: C30 H24 Mo2 N4 O12
• SMILES: c12c(c(ccc1)OC)O[Mo]13([N](=C2)N=C(c2ccc(O)cc2)O1)(=O)O[Mo]12([N](=Cc4c(c(ccc4)OC)O1)N=C(c1ccc(O)cc1)O2)(=O)O3
• 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: 9.2163 ± 0.0003 Å
• b: 9.9981 ± 0.0004 Å
• c: 10.1284 ± 0.0003 Å
• α: 63.594 ± 0.004°
• β: 65.191 ± 0.003°
• γ: 89.389 ± 0.003°
• Cell volume: 740.79 ± 0.06 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: 0.0266
• Residual factor for significantly intense reflections: 0.0229
• Weighted residual factors for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.0528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No