Information card for entry 2224200

Structure parameters

• Chemical name: Methanol{2-methoxy-6-[(2- oxidopropyl)iminomethyl]phenolato}dioxidomolybdenum(VI)
• Formula: C12 H17 Mo N O6
• Calculated formula: C12 H17 Mo N O6
• SMILES: [Mo]12(OC(C[N]2=Cc2cccc(OC)c2O1)C)(=O)(=O)[OH]C
• Title of publication: Methanol{2-methoxy-6-[(2-oxidopropyl)iminomethyl]phenolato}dioxidomolybdenum(VI)
• Authors of publication: Saeednia, Samira; Sheikhshoaie, Iran; Stoeckli-Evans, Helen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1591
• a: 6.7551 ± 0.0005 Å
• b: 15.8357 ± 0.0014 Å
• c: 13.1198 ± 0.001 Å
• α: 90°
• β: 98.287 ± 0.009°
• γ: 90°
• Cell volume: 1388.79 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0252
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes