Information card for entry 2224948

Structure parameters

• Chemical name: Methanoldioxido{1-[(2<i>RS</i>)-(2-oxidopropyl)iminomethyl]-2- naphtholato}molybdenium(VI)
• Formula: C15 H17 Mo N O5
• Calculated formula: C15 H17 Mo N O5
• SMILES: [Mo]12(Oc3c(c4ccccc4cc3)C=[N]2CC(O1)C)(=O)(=O)[OH]C
• Title of publication: Methanoldioxido{1-[(2<i>RS</i>)-(2-oxidopropyl)iminomethyl]-2-naphtholato}molybdenium(VI)
• Authors of publication: Niaz, Monadi; Iran, Sheikhshoaie; Abdolreza, Rezaeifard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m202
• a: 7.9064 ± 0.0005 Å
• b: 15.078 ± 0.001 Å
• c: 12.6796 ± 0.0008 Å
• α: 90°
• β: 93.959 ± 0.001°
• γ: 90°
• Cell volume: 1507.96 ± 0.17 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: 0.0273
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes