Information card for entry 2217862

Structure parameters

• Chemical name: Dioxidobis(2-oxo-1,2-dihydropyridin-3-olato)molybdenum(VI)
• Formula: C10 H8 Mo N2 O6
• Calculated formula: C10 H8 Mo N2 O6
• SMILES: [Mo]12(Oc3ccc[nH]c3=[O]1)(Oc1c(=[O]2)[nH]ccc1)(=O)=O
• Title of publication: Dioxidobis(2-oxo-1,2-dihydropyridin-3-olato)molybdenum(VI)
• Authors of publication: Trivedi, Manoj; Pandey, Daya Shankar; Rath, Nigam P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m595 - m596
• a: 13.263 ± 0.003 Å
• b: 7.247 ± 0.0014 Å
• c: 13.264 ± 0.003 Å
• α: 90°
• β: 118.54 ± 0.009°
• γ: 90°
• Cell volume: 1120 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes